turned on verbose to check tolerances and also print that info out to… #1
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
| # GitHub action to build LAMMPS on Linux and run selected regression tests | ||
| name: "Kokkos Regression Test" | ||
| on: | ||
| pull_request: | ||
| branches: | ||
| - develop | ||
| workflow_dispatch: | ||
| jobs: | ||
| build: | ||
| name: Build LAMMPS | ||
| # restrict to official LAMMPS repository | ||
| if: ${{ github.repository == 'lammps/lammps' }} | ||
| runs-on: ubuntu-latest | ||
| env: | ||
| CCACHE_DIR: ${{ github.workspace }}/.ccache | ||
| steps: | ||
| - name: Checkout repository | ||
| uses: actions/checkout@v4 | ||
| with: | ||
| fetch-depth: 0 | ||
| show-progress: false | ||
| - name: Install extra packages | ||
| run: | | ||
| sudo apt-get update | ||
| sudo apt-get install -y ccache ninja-build libeigen3-dev \ | ||
| libcurl4-openssl-dev python3-dev \ | ||
| mpi-default-bin mpi-default-dev | ||
| - name: Create Build Environment | ||
| run: mkdir build | ||
| - name: Set up ccache | ||
| uses: actions/cache@v4 | ||
| with: | ||
| path: ${{ env.CCACHE_DIR }} | ||
| key: linux-quick-ccache-${{ github.sha }} | ||
| restore-keys: linux-quick-ccache- | ||
| - name: Building LAMMPS via CMake | ||
| shell: bash | ||
| run: | | ||
| ccache -z | ||
| python3 -m venv linuxenv | ||
| source linuxenv/bin/activate | ||
| python3 -m pip install --upgrade pip | ||
| python3 -m pip install numpy pyyaml junit_xml | ||
| cmake -S cmake -B build \ | ||
| -C cmake/presets/gcc.cmake \ | ||
| -C cmake/presets/basic.cmake \ | ||
| -D CMAKE_CXX_COMPILER_LAUNCHER=ccache \ | ||
| -D CMAKE_C_COMPILER_LAUNCHER=ccache \ | ||
| -D BUILD_SHARED_LIBS=off \ | ||
| -D DOWNLOAD_POTENTIALS=off \ | ||
| -D PKG_KOKKOS=on \ | ||
| -D Kokkos_ARCH_ARMAVX=on \ | ||
| -D Kokkos_ENABLE_OPENMP=on \ | ||
| -D Kokkos_ENABLE_CUDA=off \ | ||
| -D PKG_COLLOID=on \ | ||
| -D PKG_GRANULAR=on \ | ||
| -D BUILD_OMP=yes \ | ||
| -G Ninja | ||
| cmake --build build | ||
| ccache -s | ||
| - name: Run Regression Tests for Selected Examples | ||
| shell: bash | ||
| run: | | ||
| source linuxenv/bin/activate | ||
| python3 tools/regression-tests/run_tests.py \ | ||
| --lmp-bin=build/lmp \ | ||
| --config-file=tools/regression-tests/config_kokkos_openmp.yaml \ | ||
| --example-folders="examples/colloid;examples/melt;examples/micelle;examples/threebody" \ | ||
| --output-file=output_kokkos.xml --progress-file=progress_kokkos.yaml --log-file=run_kokkos.log \ | ||
| --verbose | ||
| - name: Upload artifacts | ||
| uses: actions/upload-artifact@v4 | ||
| with: | ||
| name: kokkos-regression-test-artifact | ||
| path: *_kokkos.* | ||
