admin/gitlab-ci/gromacs.matrix/gromacs.gcc-8-cuda-11.0.gitlab-ci.yml

   1 # Test goal: CUDA GPU communications with OpenMPI
   2 # Test intents (should change rarely and conservatively):
   3 #   OS: Ubuntu oldest supported
   4 #   GPU: CUDA newest supported
   5 #   HW: dual NVIDIA GPU
   6 #   MPI: OpenMPI
   7 #   Features: GPU direct communications + update (regression tests with dual GPU)
   8 #   Scope: configure, build, regression tests
   9 # Test implementation choices (free to change as needed):
  10 #   OS: Ubuntu 18.04
  11 #   Build type: RelWithDebInfo
  12 #   Compiler: GCC 8
  13 #   GPU: CUDA 11.0
  14 #   SIMD: SSE 4.1
  15 #   FFT: FFTW3
  16 #   Parallelism np/ntomp: 4/1 (regression tests with dual GPU)
  17
  18 gromacs:gcc-8-cuda-11.0:configureMPI:
  19   extends:
  20     - .gromacs:base:configure
  21     - .use-gcc:base
  22     - .use-cuda
  23     - .use-mpi
  24     - .rules:merge-and-post-merge-acceptance
  25   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
  26   variables:
  27     CMAKE: /usr/local/cmake-3.18.4/bin/cmake
  28     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=SSE4.1"
  29     COMPILER_MAJOR_VERSION: 8
  30
  31 gromacs:gcc-8-cuda-11.0:buildMPI:
  32   extends:
  33     - .variables:default
  34     - .gromacs:base:build
  35     - .before_script:default
  36     - .use-ccache
  37     - .rules:merge-and-post-merge-acceptance
  38   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
  39   variables:
  40     CMAKE: /usr/local/cmake-3.18.4/bin/cmake
  41   needs:
  42     - job: gromacs:gcc-8-cuda-11.0:configureMPI
  43
  44 gromacs:gcc-8-cuda-11.0:regressiontest-gpucommupd-MPI:
  45   # Test parallelism np/ntomp: 4/1
  46   # Test parallelism GPU: direct communications, update
  47   extends:
  48     - .gromacs:base:regressiontest
  49     - .rules:post-merge-acceptance
  50   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
  51   variables:
  52     CMAKE: /usr/local/cmake-3.18.4/bin/cmake
  53     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
  54     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 2
  55     REGRESSIONTEST_PME_RANK_NUMBER: 0
  56     REGRESSIONTEST_TOTAL_RANK_NUMBER: 4
  57     REGRESSIONTEST_OMP_RANK_NUMBER: 1
  58     REGRESSIONTEST_PARALLEL: "-np"
  59     GMX_GPU_DD_COMMS: 1
  60     GMX_GPU_PME_PP_COMMS: 1
  61     GMX_FORCE_UPDATE_DEFAULT_GPU: 1
  62   tags:
  63     - k8s-scilifelab
  64   needs:
  65     - job: gromacs:gcc-8-cuda-11.0:buildMPI
  66     - job: regressiontests:prepare
  67   artifacts:
  68     paths:
  69       - regressiontests
  70     when: always
  71     expire_in: 1 week
  72