admin/gitlab-ci/gromacs.matrix/gromacs.gcc-7-cuda-10.2.gitlab-ci.yml

   1 # Test goal: old versions of GCC with CUDA; GPU communications with tMPI
   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, dual NVIDIA GPU
   7 #   MPI: thread_MPI
   8 #   Features: GPU direct communications + update (unit tests)
   9 #   Features: GPU direct communications + update (regression tests with dual GPU)
  10 #   Features: GPU update (regression tests with dual GPU)
  11 #   Scope: configure, build, unit tests, regression tests
  12 # Test implementation choices (free to change as needed):
  13 #   OS: Ubuntu 18.04
  14 #   Build type: Debug
  15 #   Compiler: GCC 7
  16 #   GPU: CUDA 10.2
  17 #   SIMD: SSE 4.1
  18 #   FFT: FFTW3
  19 #   Parallelism nt/ntomp: 4/2 (unit tests)
  20 #   Parallelism nt/ntomp: 2/1 (regression tests)
  21 #   Parallelism nt/ntomp: 4/1 (regression tests with dual GPU)
  22
  23 gromacs:gcc-7-cuda-10.2:configure:
  24   extends:
  25     - .gromacs:base:configure
  26     - .use-gcc:base
  27     - .use-cuda
  28     - .rules:merge-and-post-merge-acceptance
  29   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-cuda-10.2
  30   variables:
  31     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
  32     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=SSE4.1"
  33     COMPILER_MAJOR_VERSION: 7
  34
  35 gromacs:gcc-7-cuda-10.2:build:
  36   extends:
  37     - .variables:default
  38     - .gromacs:base:build
  39     - .before_script:default
  40     - .use-ccache
  41     - .rules:merge-and-post-merge-acceptance
  42   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-cuda-10.2
  43   variables:
  44     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
  45   needs:
  46     - job: gromacs:gcc-7-cuda-10.2:configure
  47
  48 gromacs:gcc-7-cuda-10.2:test:
  49   extends:
  50     - .gromacs:base:test
  51     - .rules:merge-requests
  52   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-cuda-10.2
  53   variables:
  54     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
  55     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
  56     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
  57   tags:
  58     - k8s-scilifelab
  59   needs:
  60     - job: gromacs:gcc-7-cuda-10.2:build
  61
  62 gromacs:gcc-7-cuda-10.2:test-gpucommupd:
  63   extends:
  64     - .gromacs:base:test
  65     - .rules:post-merge-acceptance
  66   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-cuda-10.2
  67   variables:
  68     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
  69     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
  70     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
  71     GMX_GPU_DD_COMMS: 1
  72     GMX_GPU_PME_PP_COMMS: 1
  73     GMX_FORCE_UPDATE_DEFAULT_GPU: 1
  74   tags:
  75     - k8s-scilifelab
  76   needs:
  77     - job: gromacs:gcc-7-cuda-10.2:build
  78
  79 gromacs:gcc-7-cuda-10.2:regressiontest:
  80   extends:
  81     - .gromacs:base:regressiontest
  82     - .rules:merge-requests
  83   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-cuda-10.2
  84   variables:
  85     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
  86     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
  87     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
  88     REGRESSIONTEST_PME_RANK_NUMBER: 0
  89     REGRESSIONTEST_TOTAL_RANK_NUMBER: 2
  90     REGRESSIONTEST_OMP_RANK_NUMBER: 1
  91   tags:
  92     - k8s-scilifelab
  93   needs:
  94     - job: gromacs:gcc-7-cuda-10.2:build
  95     - job: regressiontests:prepare
  96
  97 gromacs:gcc-7-cuda-10.2:regressiontest-gpucommupd-tMPI:
  98   extends:
  99     - .gromacs:base:regressiontest
 100     - .rules:post-merge-acceptance
 101   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-cuda-10.2
 102   variables:
 103     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
 104     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
 105     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 2
 106     REGRESSIONTEST_PME_RANK_NUMBER: 0
 107     REGRESSIONTEST_TOTAL_RANK_NUMBER: 4
 108     REGRESSIONTEST_OMP_RANK_NUMBER: 1
 109     GMX_GPU_DD_COMMS: 1
 110     GMX_GPU_PME_PP_COMMS: 1
 111     GMX_FORCE_UPDATE_DEFAULT_GPU: 1
 112   tags:
 113     - k8s-scilifelab
 114   needs:
 115     - job: gromacs:gcc-7-cuda-10.2:build
 116     - job: regressiontests:prepare
 117   artifacts:
 118     paths:
 119       - regressiontests
 120     when: always
 121     expire_in: 1 week
 122
 123 gromacs:gcc-7-cuda-10.2:regressiontest-upd-tMPI:
 124   extends:
 125     - .gromacs:base:regressiontest
 126     - .rules:post-merge-acceptance
 127   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-cuda-10.2
 128   variables:
 129     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
 130     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 2
 131     REGRESSIONTEST_PME_RANK_NUMBER: 0
 132     REGRESSIONTEST_TOTAL_RANK_NUMBER: 4
 133     REGRESSIONTEST_OMP_RANK_NUMBER: 1
 134     GMX_FORCE_UPDATE_DEFAULT_GPU: 1
 135   tags:
 136     - k8s-scilifelab
 137   needs:
 138     - job: gromacs:gcc-7-cuda-10.2:build
 139     - job: regressiontests:prepare
 140   artifacts:
 141     paths:
 142       - regressiontests
 143     when: always
 144     expire_in: 1 week