Add AWS GPU Runner #107
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| 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 }}"} | ||
| ] | ||
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| 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: ${{ needs.start-runner.outputs.label }} # run the job on the newly created runner | ||
| timeout-minutes: 120 # 2 hrs | ||
| env: | ||
| HOME: /home/ec2-user | ||
| os: ubuntu-22.04 | ||
| cuda-version: "11.7" | ||
| gcc-version: "10.3.*" | ||
| nvcc-version: "11.7" | ||
| python-version: "3.10" | ||
| pytorch-version: "1.12.*" | ||
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| defaults: | ||
| run: | ||
| shell: bash -l {0} | ||
| steps: | ||
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| - uses: actions/checkout@v3 | ||
| - name: "Update the conda enviroment file" | ||
| uses: cschleiden/replace-tokens@v1 | ||
| with: | ||
| tokenPrefix: '@' | ||
| tokenSuffix: '@' | ||
| files: devtools/conda-envs/build-${{ env.os }}.yml | ||
| env: | ||
| CUDATOOLKIT_VERSION: ${{ env.cuda-version }} | ||
| GCC_VERSION: ${{ env.gcc-version }} | ||
| NVCC_VERSION: ${{ env.nvcc-version }} | ||
| PYTORCH_VERSION: ${{ env.pytorch-version }} | ||
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| - uses: mamba-org/provision-with-micromamba@main | ||
|
There was a problem hiding this comment. Switching to There was a problem hiding this comment. Well here is the diff between the envs: Where There was a problem hiding this comment. My bet is on the ocl-icd package being somehow overriden by the system one. There was a problem hiding this comment. So now do you want me to add pins to the environment yaml? Previously, you didn't want me to do that. There was a problem hiding this comment. @mikemhenry I say if pinning some versions its what it takes so be it. We can later on relax these after merging. AFAIK I cannot play around with this at the moment. I would start by trying if installing llvm-openmp is enough. Another option could be to use the OCL library that comes with CUDA. -DOPENCL_INCLUDE_DIR=${CONDA_PREFIX}/include \
-DOPENCL_LIBRARY=${CONDA_PREFIX}/lib/libOpenCL${SHLIB_EXT}I would really like this merged ASAP so we can also merge #106 |
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| name: "Install dependencies with MicroMamba" | ||
| with: | ||
| environment-file: devtools/conda-envs/build-${{ env.os }}.yml | ||
| extra-specs: | | ||
| python==${{ env.python-version }} | ||
| pytest-xdist | ||
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| - name: "List conda packages" | ||
| shell: bash -l {0} | ||
| run: | | ||
| micromamba list | ||
| micromamba info | ||
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| - name: "Configure" | ||
| shell: bash -l {0} | ||
| run: | | ||
| mkdir build | ||
| cd build | ||
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| SHLIB_EXT=".so" | ||
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| 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${SHLIB_EXT} | ||
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| - name: "Build" | ||
| shell: bash -l {0} | ||
| run: | | ||
| cd build | ||
| make -j2 install | ||
| make -j2 PythonInstall | ||
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| - name: "List plugins" | ||
| shell: bash -l {0} | ||
| run: | | ||
| export LD_LIBRARY_PATH="${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')" | ||
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| - name: "Run C++ test" | ||
| shell: bash -l {0} | ||
| run: | | ||
| export LD_LIBRARY_PATH="${CONDA_PREFIX}/lib/python${{ env.python-version }}/site-packages/torch/lib:${LD_LIBRARY_PATH}" | ||
| cd build | ||
| ctest --output-on-failure | ||
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| - name: "Run Python test" | ||
| shell: bash -l {0} | ||
| run: | | ||
| export LD_LIBRARY_PATH="${CONDA_PREFIX}/lib/python${{ env.python-version }}/site-packages/torch/lib:${LD_LIBRARY_PATH}" | ||
| cd python/tests | ||
| pytest -n auto --verbose Test* | ||
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| 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: ${{ needs.start-runner.outputs.ec2-instance-id }} | ||
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Above it says ubuntu-latest, but here it is ubuntu-22.04, is this intentional?
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That is to make the way the env file is chosen
devtools/conda-envs/build-${{ env.os }}.ymlmatch how we do the CI on GHA.For the
start-runnerblock, we just need a VM to spin up and turn on the GPU runner at AWS, so I chose to useubuntu-latestsince it doesn't really matter the version and I rather not have to worry about it, it should work fine when 24.04 comes out for example.