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self-hosted-gpu-test #89

self-hosted-gpu-test

self-hosted-gpu-test #89

name: self-hosted-gpu-test
on:
push:
branches:
- master
workflow_dispatch:
schedule:
# weekly tests
- cron: "0 0 * * SUN"
jobs:
start-runner:
name: Start self-hosted EC2 runner
runs-on: ubuntu-latest
outputs:
label: ${{ steps.start-ec2-runner.outputs.label }}
ec2-instance-id: ${{ steps.start-ec2-runner.outputs.ec2-instance-id }}
steps:
- name: Configure AWS credentials
uses: aws-actions/configure-aws-credentials@v1
with:
aws-access-key-id: ${{ secrets.AWS_ACCESS_KEY_ID }}
aws-secret-access-key: ${{ secrets.AWS_SECRET_ACCESS_KEY }}
aws-region: ${{ secrets.AWS_REGION }}
- name: Try to start EC2 runner
id: start-ec2-runner
uses: machulav/ec2-github-runner@main
with:
mode: start
github-token: ${{ secrets.GH_PERSONAL_ACCESS_TOKEN }}
ec2-image-id: ami-04d16a12bbc76ff0b
ec2-instance-type: g4dn.xlarge
subnet-id: subnet-0dee8543e12afe0cd # us-east-1a
security-group-id: sg-0f9809618550edb98
# iam-role-name: self-hosted-runner # optional, requires additional permissions
aws-resource-tags: > # optional, requires additional permissions
[
{"Key": "Name", "Value": "ec2-github-runner"},
{"Key": "GitHubRepository", "Value": "${{ github.repository }}"}
]
do-the-job:
name: Do the job on the runner
needs: start-runner # required to start the main job when the runner is ready
runs-on: ${{ needs.start-runner.outputs.label }} # run the job on the newly created runner
timeout-minutes: 120 # 2 hrs
env:
HOME: /home/ec2-user
os: ubuntu-22.04
cuda-version: "11.7"
gcc-version: "10.3.*"
nvcc-version: "11.7"
python-version: "3.10"
pytorch-version: "1.12.*"
defaults:
run:
shell: bash -l {0}
steps:
- uses: actions/checkout@v3
- name: "Update the conda enviroment file"
uses: cschleiden/replace-tokens@v1
with:
tokenPrefix: '@'
tokenSuffix: '@'
files: devtools/conda-envs/build-${{ env.os }}.yml
env:
CUDATOOLKIT_VERSION: ${{ env.cuda-version }}
GCC_VERSION: ${{ env.gcc-version }}
NVCC_VERSION: ${{ env.nvcc-version }}
PYTORCH_VERSION: ${{ env.pytorch-version }}
- uses: mamba-org/provision-with-micromamba@main
name: "Install dependencies with MicroMamba"
with:
environment-file: devtools/conda-envs/build-${{ env.os }}.yml
extra-specs: |
python==${{ env.python-version }}
pytest-xdist
- name: "List conda packages"
shell: bash -l {0}
run: |
micromamba list
micromamba info
- name: "Configure"
shell: bash -l {0}
run: |
mkdir build
cd build
SHLIB_EXT=".so"
cmake .. \
-DCMAKE_BUILD_TYPE=Release \
-DCMAKE_INSTALL_PREFIX=${CONDA_PREFIX} \
-DOPENMM_DIR=${CONDA_PREFIX} \
-DTorch_DIR=${CONDA_PREFIX}/lib/python${{ env.python-version }}/site-packages/torch/share/cmake/Torch \
-DNN_BUILD_OPENCL_LIB=ON \
-DOPENCL_INCLUDE_DIR=${CONDA_PREFIX}/include \
-DOPENCL_LIBRARY=${CONDA_PREFIX}/lib/libOpenCL${SHLIB_EXT}
- name: "Build"
shell: bash -l {0}
run: |
cd build
make -j2 install
make -j2 PythonInstall
- name: "List plugins"
shell: bash -l {0}
run: |
export LD_LIBRARY_PATH="${CONDA_PREFIX}/lib/python${{ env.python-version }}/site-packages/torch/lib:${LD_LIBRARY_PATH}"
python -c "import openmm as mm; print('---Loaded---', *mm.pluginLoadedLibNames, '---Failed---', *mm.Platform.getPluginLoadFailures(), sep='\n')"
- name: "Run C++ test"
shell: bash -l {0}
run: |
export LD_LIBRARY_PATH="${CONDA_PREFIX}/lib/python${{ env.python-version }}/site-packages/torch/lib:${LD_LIBRARY_PATH}"
cd build
ctest --output-on-failure
- name: "Run Python test"
shell: bash -l {0}
run: |
export LD_LIBRARY_PATH="${CONDA_PREFIX}/lib/python${{ env.python-version }}/site-packages/torch/lib:${LD_LIBRARY_PATH}"
cd python/tests
pytest -n auto --verbose Test*
stop-runner:
name: Stop self-hosted EC2 runner
needs:
- start-runner # required to get output from the start-runner job
- do-the-job # required to wait when the main job is done
runs-on: ubuntu-latest
if: ${{ always() }} # required to stop the runner even if the error happened in the previous jobs
steps:
- name: Configure AWS credentials
uses: aws-actions/configure-aws-credentials@v1
with:
aws-access-key-id: ${{ secrets.AWS_ACCESS_KEY_ID }}
aws-secret-access-key: ${{ secrets.AWS_SECRET_ACCESS_KEY }}
aws-region: ${{ secrets.AWS_REGION }}
- name: Stop EC2 runner
uses: machulav/ec2-github-runner@main
with:
mode: stop
github-token: ${{ secrets.GH_PERSONAL_ACCESS_TOKEN }}
label: ${{ needs.start-runner.outputs.label }}
ec2-instance-id: ${{ needs.start-runner.outputs.ec2-instance-id }}