diff --git a/.github/workflows/self-hosted-gpu-test.yml b/.github/workflows/self-hosted-gpu-test.yml index bd66f3ca..2994e91f 100644 --- a/.github/workflows/self-hosted-gpu-test.yml +++ b/.github/workflows/self-hosted-gpu-test.yml @@ -11,7 +11,7 @@ on: jobs: start-runner: name: Start self-hosted EC2 runner - runs-on: ubuntu-20.04 + runs-on: ubuntu-latest outputs: label: ${{ steps.start-ec2-runner.outputs.label }} ec2-instance-id: ${{ steps.start-ec2-runner.outputs.ec2-instance-id }} @@ -28,10 +28,10 @@ jobs: with: mode: start github-token: ${{ secrets.GH_PERSONAL_ACCESS_TOKEN }} - ec2-image-id: ami-096d499d418f88d88 - ec2-instance-type: p2.xlarge - subnet-id: subnet-0e82552b8c708a999 - security-group-id: sg-0589e74ec03965add + 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 [ @@ -46,6 +46,8 @@ jobs: 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: @@ -55,7 +57,7 @@ jobs: - 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: 3.8 + python-version: "3.10" activate-environment: test channels: conda-forge,defaults environment-file: devtools/conda-envs/test_env.yaml @@ -66,7 +68,7 @@ jobs: - name: Refine test env shell: bash -l {0} run: | - mamba install -y cudatoolkit==11.0.3 openmm==7.7 + mamba install -y cudatoolkit==11.7 openmm>=8.0 - name: Additional info about the build shell: bash -l {0} @@ -93,7 +95,7 @@ jobs: - name: Test the package shell: bash -l {0} run: | - nosetests openmmtools/tests --nocapture --verbosity=2 --with-timer --with-doctest + pytest -v --cov-report xml --durations=0 --cov=openmmtools openmmtools/tests - name: Codecov if: ${{ github.repository == 'choderalab/openmmtools' @@ -103,7 +105,7 @@ jobs: file: ./coverage.xml name: codecov-${{ matrix.cfg.os }}-py${{ matrix.cfg.python-version }} flags: unittests - fail_ci_if_error: true + fail_ci_if_error: false stop-runner: name: Stop self-hosted EC2 runner