From 4a5164de4d5e1c0269be1ab5d3e009b421c8c999 Mon Sep 17 00:00:00 2001
From: Alicia Klinvex <64440832+amklinv-nnl@users.noreply.github.com>
Date: Mon, 26 Feb 2024 17:07:57 -0500
Subject: [PATCH 1/2] Add OpenMC benchmark

OpenMC is an open source Monte Carlo transport simulation code.
---
 repo/openmc/application.py | 70 ++++++++++++++++++++++++++++++++++++++
 1 file changed, 70 insertions(+)
 create mode 100644 repo/openmc/application.py

diff --git a/repo/openmc/application.py b/repo/openmc/application.py
new file mode 100644
index 00000000..a3907973
--- /dev/null
+++ b/repo/openmc/application.py
@@ -0,0 +1,70 @@
+# Copyright 2022-2023 Google LLC
+#
+# Licensed under the Apache License, Version 2.0 <LICENSE-APACHE or
+# https://www.apache.org/licenses/LICENSE-2.0> or the MIT license
+# <LICENSE-MIT or https://opensource.org/licenses/MIT>, at your
+# option. This file may not be copied, modified, or distributed
+# except according to those terms.
+
+import os
+from ramble.appkit import *
+from ramble.expander import Expander
+
+
+class Openmc(SpackApplication):
+    '''Define OpenMC application'''
+    name = 'openmc'
+
+    maintainers('klinveam')
+
+    tags('monte carlo', 'transport', 'benchmark')
+
+    default_compiler('gcc9', spack_spec='gcc@9.3.0')
+
+    software_spec('impi2018',
+                  spack_spec='intel-mpi@2018.4.274')
+
+    software_spec('openmc',
+                  spack_spec='openmc +mpi +openmp +ipo',
+                  compiler='gcc9')
+
+    required_package('openmc')
+
+    workload('progression', executables=['set-cross-sections','execute'], inputs=['benchmark', 'cross_sections'])
+    workload('tally', executables=['set-cross-sections','execute'], inputs=['benchmark', 'cross_sections'])
+
+    # Get the benchmark repo
+    input_file('benchmark',
+               url='https://github.com/jtramm/openmc_offloading_benchmarks/archive/refs/heads/main.zip',
+               description='HPC Benchmarking input for OpenMC')
+
+    # Get the cross section library from https://openmc.org/official-data-libraries/
+    # Version VIII.0 is missing C0, which causes a runtime error for all but the small and medium benchmarks
+    # We want VII.1
+    input_file('cross_sections',
+               url='https://anl.box.com/shared/static/9igk353zpy8fn9ttvtrqgzvw1vtejoz6.xz',
+               description='Cross section library input for OpenMC')
+
+    if Expander.expansion_str('workload_name') == 'progression':
+        input_dir = '{workload_input_dir}/benchmark/progression_tests/XXL/'
+    else:
+        input_dir = '{workload_input_dir}/benchmark/tally_tests/HM_large_tally/'
+
+    # We have to use a relative path because of the fixed string length for the cross section file
+    executable('set-cross-sections',
+               template=["sed -i -e 's~<materials>~<materials>\\n<cross_sections>../../../../inputs/openmc/{workload_name}/cross_sections/cross_sections.xml</cross_sections>~g' -i " + input_dir + "materials.xml"],
+               use_mpi=False)
+
+    executable('execute', 'openmc ' + input_dir, use_mpi=True)
+
+    figure_of_merit('Simulation Time', log_file='{experiment_run_dir}/{experiment_name}.out',
+                    fom_regex=r'\s*Total time in simulation\s*=\s*(?P<solve_time>.*)',
+                    group_name='solve_time', units='s')
+
+    figure_of_merit('Inactive Batch Time', log_file='{experiment_run_dir}/{experiment_name}.out',
+                    fom_regex=r'\s*Time in inactive batches\s*=\s*(?P<inactive_time>.*)',
+                    group_name='inactive_time', units='s')
+
+    figure_of_merit('Active Batch Time', log_file='{experiment_run_dir}/{experiment_name}.out',
+                    fom_regex=r'\s*Time in active batches\s*=\s*(?P<active_time>.*)',
+                    group_name='active_time', units='s')

From 7435bdbd179f2803e160d406ef34a69026989421 Mon Sep 17 00:00:00 2001
From: pearce8 <pearce8@llnl.gov>
Date: Wed, 24 Apr 2024 17:58:13 -0700
Subject: [PATCH 2/2] license

---
 repo/openmc/application.py | 11 +++++------
 1 file changed, 5 insertions(+), 6 deletions(-)

diff --git a/repo/openmc/application.py b/repo/openmc/application.py
index a3907973..950a355d 100644
--- a/repo/openmc/application.py
+++ b/repo/openmc/application.py
@@ -1,10 +1,9 @@
-# Copyright 2022-2023 Google LLC
+#!/bin/bash
 #
-# Licensed under the Apache License, Version 2.0 <LICENSE-APACHE or
-# https://www.apache.org/licenses/LICENSE-2.0> or the MIT license
-# <LICENSE-MIT or https://opensource.org/licenses/MIT>, at your
-# option. This file may not be copied, modified, or distributed
-# except according to those terms.
+# Copyright 2023 Lawrence Livermore National Security, LLC and other
+# Benchpark Project Developers. See the top-level COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: Apache-2.0
 
 import os
 from ramble.appkit import *