admin/gitlab-ci/gromacs.matrix/gromacs.gcc-10.gitlab-ci.yml

   1 # Test goal: newest GCC with OpenCL
   2 # Test intents (should change rarely and conservatively):
   3 #   OS: Ubuntu newest supported
   4 #   Compiler: GCC newest supported
   5 #   GPU: OpenCL
   6 #   FFT: CLFFT
   7 #   HW: AMD GPU
   8 #   Scope: configure, build, unit tests, regression tests
   9 # Test implementation choices (free to change as needed):
  10 #   OS: Ubuntu 20.04
  11 #   Build type: Debug
  12 #   Compiler: GCC 10
  13 #   MPI: thread_MPI
  14 #   SIMD: AVX2_256
  15 #   Parallelism nt/ntomp: 4/2 (unit tests)
  16 #   Parallelism nt/ntomp: 2/1 (regression tests)
  17
  18 gromacs:gcc-10:configure:
  19   extends:
  20     - .gromacs:base:configure
  21     - .use-gcc:base
  22     - .use-opencl
  23     - .rules:merge-and-post-merge-acceptance
  24   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-10
  25   variables:
  26     CMAKE: /usr/local/cmake-3.16.3/bin/cmake
  27     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=AVX2_256"
  28     CMAKE_EXTRA_OPTIONS: "-DGMX_EXTERNAL_CLFFT=ON"
  29     COMPILER_MAJOR_VERSION: 10
  30
  31 gromacs:gcc-10:build:
  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-20.04-gcc-10
  39   variables:
  40     CMAKE: /usr/local/cmake-3.16.3/bin/cmake
  41   needs:
  42     - job: gromacs:gcc-10:configure
  43
  44 gromacs:gcc-10:test:
  45   extends:
  46     - .gromacs:base:test
  47     - .rules:merge-requests
  48   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-10
  49   variables:
  50     CMAKE: /usr/local/cmake-3.16.3/bin/cmake
  51     KUBERNETES_EXTENDED_RESOURCE_NAME: "amd.com/gpu"
  52     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
  53     LD_LIBRARY_PATH: "/opt/rocm-3.5.0/opencl/lib"
  54   tags:
  55     - k8s-scilifelab
  56   needs:
  57     - job: gromacs:gcc-10:build
  58
  59 gromacs:gcc-10:regressiontest:
  60   extends:
  61     - .gromacs:base:regressiontest
  62     - .rules:post-merge-acceptance
  63   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-10
  64   variables:
  65     CMAKE: /usr/local/cmake-3.16.3/bin/cmake
  66     KUBERNETES_EXTENDED_RESOURCE_NAME: "amd.com/gpu"
  67     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
  68     REGRESSIONTEST_PME_RANK_NUMBER: 0
  69     REGRESSIONTEST_TOTAL_RANK_NUMBER: 2
  70     REGRESSIONTEST_OMP_RANK_NUMBER: 1
  71     LD_LIBRARY_PATH: "/opt/rocm-3.5.0/opencl/lib"
  72   tags:
  73     - k8s-scilifelab
  74   needs:
  75     - job: gromacs:gcc-10:build
  76     - job: regressiontests:prepare
  77