admin/gitlab-ci/gromacs.matrix/gromacs.gcc-7-cuda-11.0-mpi.gitlab-ci.yml

   1 # Test goal: old versions of GCC with CUDA; GPU communications with OpenMPI
   2 # Test intents (should change rarely and conservatively):
   3 #   OS: Ubuntu oldest supported
   4 #   Compiler: GCC oldest supported
   5 #   GPU: CUDA oldest supported
   6 #   HW: NVIDIA GPU, single NVIDIA GPU
   7 #   MPI: OpenMPI
   8 #   Features: GPU direct communications + update (unit tests), HeFFTe support
   9 #   Scope: configure, build, unit tests
  10 # Test implementation choices (free to change as needed):
  11 #   OS: Ubuntu 20.04
  12 #   Build type: Debug
  13 #   Compiler: GCC 7
  14 #   GPU: CUDA 11.0
  15 #   SIMD: SSE 4.1
  16 #   FFT: FFTW3
  17 #   Parallelism nt/ntomp: 4/2 (unit tests)
  18
  19 gromacs:gcc-7-cuda-11.0:configureMPI:
  20   extends:
  21     - .gromacs:base:configure
  22     - .use-gcc:base
  23     - .use-cuda
  24     - .use-mpi
  25     - .rules:merge-and-post-merge-acceptance
  26   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-cuda-11.0
  27   variables:
  28     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
  29     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=SSE4.1"
  30     CMAKE_EXTRA_OPTIONS: "-DGMX_USE_HEFFTE=ON"
  31     COMPILER_MAJOR_VERSION: 7
  32
  33 gromacs:gcc-7-cuda-11.0:buildMPI:
  34   extends:
  35     - .variables:default
  36     - .gromacs:base:build
  37     - .before_script:default
  38     - .use-ccache
  39     - .rules:merge-and-post-merge-acceptance
  40   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-cuda-11.0
  41   variables:
  42     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
  43   needs:
  44     - job: gromacs:gcc-7-cuda-11.0:configureMPI
  45
  46 gromacs:gcc-7-cuda-11.0:testMPI:
  47   extends:
  48     - .gromacs:base:test
  49     - .rules:merge-requests
  50   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-cuda-11.0
  51   variables:
  52     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
  53     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
  54     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
  55   tags:
  56     - k8s-scilifelab
  57   needs:
  58     - job: gromacs:gcc-7-cuda-11.0:buildMPI