ls1_test.yml

name: C/C++ CI for ls1

on:
  push:
    # pushes to master
    branches: [ master ]
  pull_request:
    # PRs to master
    branches: [ master ]

# abort old runs if a new one is started
concurrency:
  group: ${{ github.head_ref }}-tests
  cancel-in-progress: true

jobs:
  ci-matrix:
    runs-on: ubuntu-latest
    strategy:
      # do not cancel all other workflow runs if one fails
      fail-fast: false
      matrix: 
        vector: ['SSE', 'NONE', 'AVX', 'AVX2']
        target: ['Debug', 'Release']
        parall: ['SEQ', 'PAR']
        cc: ['gcc', 'clang']
        cxx: ['g++', 'clang++']
        autopas: ['ON', 'OFF']
        procs: ['1', '4', '8'] #TODO: >= 27 ranks case, to have non-border rank
        openmp: ['ON', 'OFF']
        exclude:
            # exclude incompatible compiler pairs
          - cc: 'gcc'
            cxx: 'clang++'
          - cc: 'clang'
            cxx: 'g++'
            # exclude legacy configurations
          - vector: 'SSE'
          - vector: 'AVX'
          - openmp: 'OFF'
            # exclude SEQ & np > 1, exclude PAR & np = 1
          - parall: 'PAR'
            procs: '1'
          - parall: 'SEQ'
            procs: '4'
          - parall: 'SEQ'
            procs: '8'

    env:
      JOBNAME: ${{ join(matrix.*, '-') }}
    name: ${{ matrix.vector }}-${{ matrix.target }}-${{ matrix.parall }}-${{ matrix.cc }}-AutoPas=${{ matrix.autopas }}-Ranks=${{ matrix.procs }}-OMP=${{ matrix.openmp }}
    steps:
      # setup github actions runner node
    - uses: actions/checkout@v4
    - name: Setup
      run: |
        sudo apt-get update
        # MPICH 4.0.3 seems to have a bug that triggers a FP exception in our collective communication when doing 0+0.
        sudo apt-get install -y \
          uuid-dev              \
          libcppunit-dev        \
          libopenmpi-dev        \
          libomp-dev            \
          libxerces-c-dev
        # Install python modules to execute validation script
        pip3 install numpy pandas
        echo "Running ${JOBNAME}"
        git status
        mkdir build_${JOBNAME}
      # build testing & unit testing
    - name: Build and Unit Test
      run: |
          cd build_${JOBNAME}

          #translate matrix to ON/OFF for certain entries
          if [[ ${{ matrix.parall }} == 'PAR' ]]
          then
            mpi_enabled='ON'
          else
            mpi_enabled='OFF'
          fi
          if [[ ${{ matrix.parall }} == 'PAR' ]] && [[ ${{ matrix.autopas }} == 'ON' ]]
          then
            alllbl_enabled='ON'
          else
            alllbl_enabled='OFF'
          fi

          cmake_exec="cmake -DVECTOR_INSTRUCTIONS=${{ matrix.vector }} \
            -DCMAKE_BUILD_TYPE=${{ matrix.target }} \
            -DENABLE_AUTOPAS=${{ matrix.autopas }} \
            -DAUTOPAS_ENABLE_RULES_BASED_AND_FUZZY_TUNING=ON \
            -DENABLE_ALLLBL=$alllbl_enabled \
            -DOPENMP=${{ matrix.openmp }} \
            -DENABLE_MPI=$mpi_enabled \
            -DENABLE_UNIT_TESTS=ON \
            -DENABLE_VTK=ON \
            .."

          # Omit quotes to trim whitespace of cmake_exec in second echo command
          echo "The following cmake command is executed:"
          echo CC=${{ matrix.cc }} CXX=${{ matrix.cxx }} ${cmake_exec}
          echo ""

          ${cmake_exec}
        
          cmake --build . --parallel 1

          cd ..

          if [[ ${{ matrix.parall }} == 'PAR' ]]
          then
            # when using OpenMPI --oversubscribe is needed. Remove it if you switch to MPICH.
            mpirun --oversubscribe -np ${{ matrix.procs }} ./build_${JOBNAME}/src/MarDyn -t -d ./test_input/
          else
            ./build_${JOBNAME}/src/MarDyn -t -d ./test_input/
          fi
      env:
        CC: ${{ matrix.cc }}
        CXX: ${{ matrix.cxx }}
        OMP_NUM_THREADS: 2

      # validation testing
    - if: ${{ matrix.parall == 'PAR' }}
      name: Validation
      run: |
          #set strict pipefail option
          set -eo pipefail
          
          #save absolute path to root of ls1 directory
          repoPath=$PWD
          
          #example list of new version is used
          examplesFile="branchExamples_${JOBNAME}.txt"
          # choose and save examples (so that the same file name could be used regardless of AutoPas is on or off)
          if [[ ${{ matrix.autopas }} == 'ON' ]]
          then
            cp ./examples/example-list_autopas.txt "${examplesFile}"
          else
            cp ./examples/example-list.txt "${examplesFile}"
          fi
        
          # execute all examples. These calls create artifacts which we will then compare to the validation JSON file
          IFS=$'\n'
          for i in $(cat "${repoPath}/${examplesFile}" )
          do
            # skip if comment or empty line
            if [[ $i == \#* || -z "$i" ]]
            then
              continue
            fi

            cd $repoPath/examples/$(dirname $i)
        
            # patch input files according to current conf
            cp $(basename $i) input_patched.xml
            # if AutoPas is enabled, replace all occurrences of LinkedCell in the examples' config files with AutoPas
            if [[ ${{ matrix.autopas }} == 'ON' ]]
            then
              sed --in-place 's/LinkedCells/AutoPas/g' input_patched.xml
            fi

            # if AutoPas is enabled and no vectorization is used, the AVX functor of Autopas has to be disabled
            if [[ ${{ matrix.vector }} == 'NONE' ]]
            then
              sed --in-place 's|AutoPas">|AutoPas">\n\t<functor>autoVec</functor>|g' input_patched.xml
            fi

            # run the example with the new exe
            printf "   Running example: $i ... "
            EXE=$repoPath/build_${JOBNAME}/src/MarDyn
        
            # when using OpenMPI --oversubscribe is needed. Remove it if you switch to MPICH.
            mpirun --oversubscribe -np ${{ matrix.procs }} ${EXE} input_patched.xml --steps=20                            \
              | tee "output_${{ join(matrix.*, '-') }}"                                                   \
              | awk '/Simstep = /{ print $7 " " $10 " " $13 " " $16 }' > ${repoPath}/output_${VERSION}    \
              || (exitCode=$?; cat "output_${{ join(matrix.*, '-') }}"; (exit $exitCode))
            printf "Done\n"

            # compare the output of the run to the validation file
            # validation files are named after the respective config xml but without the file extension (::-4)
            python3 ${repoPath}/checks/validation_compare_files.py \
              --validation-file "validation_$(basename ${i::-4}).json" \
              --logfile "output_${{ join(matrix.*, '-') }}"
          done

      env:
        CC: ${{ matrix.cc }}
        CXX: ${{ matrix.cxx }}
        OMP_NUM_THREADS: 2