self-hosted-gpu-test #97
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| name: self-hosted-gpu-test | |
| on: | |
| push: | |
| branches: | |
| - master | |
| - main | |
| workflow_dispatch: | |
| schedule: | |
| # nightly tests | |
| - cron: "0 0 * * *" | |
| 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: 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 | |
| env: | |
| TEST_MODE: GPU | |
| OPENMM: ${{ matrix.cfg.openmm }} | |
| OE_LICENSE: ${{ github.workspace }}/oe_license.txt | |
| HOME: /home/ec2-user | |
| CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }} | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| installer-url: https://github.com/conda-forge/miniforge/releases/latest/download/Mambaforge-Linux-x86_64.sh | |
| python-version: "3.10" | |
| activate-environment: test | |
| channels: conda-forge,defaults | |
| environment-file: devtools/conda-envs/test_env.yaml | |
| auto-activate-base: false | |
| auto-update-conda: true | |
| show-channel-urls: true | |
| - name: Refine test env | |
| shell: bash -l {0} | |
| run: | | |
| mamba install -y cudatoolkit==11.7 openmm>=8.0 | |
| - name: Additional info about the build | |
| shell: bash -l {0} | |
| run: | | |
| uname -a | |
| df -h | |
| ulimit -a | |
| conda info -a | |
| conda list | |
| python -c "import openmm; print(openmm.Platform.getPluginLoadFailures())" | |
| python -m openmm.testInstallation | |
| - name: Install package | |
| shell: bash -l {0} | |
| run: | | |
| python -m pip install --no-deps -v . | |
| - name: Environment Information | |
| shell: bash -l {0} | |
| run: | | |
| conda info -a | |
| conda list | |
| - name: Test the package | |
| shell: bash -l {0} | |
| run: | | |
| pytest -v --cov-report xml --durations=0 --cov=openmmtools openmmtools/tests | |
| - name: Codecov | |
| if: ${{ github.repository == 'choderalab/openmmtools' | |
| && github.event != 'schedule' }} | |
| uses: codecov/codecov-action@v1 | |
| with: | |
| file: ./coverage.xml | |
| name: codecov-${{ matrix.cfg.os }}-py${{ matrix.cfg.python-version }} | |
| flags: unittests | |
| fail_ci_if_error: false | |
| 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-20.04 | |
| 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 }} |