admin/gitlab-ci/gromacs.matrix/gromacs.clang-12-cuda-11.4.1.gitlab-ci.yml

   1 # Test goal: Clang-CUDA build
   2 # Test intents (should change rarely and conservatively):
   3 #   OS: Ubuntu newest supported
   4 #   GPU: Clang CUDA
   5 #   HW: NVIDIA GPU
   6 #   Scope: configure, build, unit tests, regression tests
   7 # Test implementation choices (free to change as needed):
   8 #   OS: Ubuntu 20.04
   9 #   Build type: RelWithDebInfo
  10 #   Compiler: Clang 12
  11 #   MPI: thread_MPI
  12 #   GPU: Clang CUDA 11.4.1, CUDA 11.4.1
  13 #   SIMD: AVX2_256, no kernels
  14 #   FFT: FFTW3
  15 #   Parallelism nt/ntomp: 4/2 (unit tests)
  16 #   Parallelism nt/ntomp: 2/1 (regression tests)
  17
  18 gromacs:clang-12-cuda-11.4.1:configure:
  19   extends:
  20     - .gromacs:base:configure
  21     - .use-clang:base
  22     - .use-cuda
  23     - .rules:post-merge-acceptance
  24   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-12-cuda-11.4.1-hipsycl-7a309b808-rocm-4.3
  25   variables:
  26     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
  27     CMAKE_SIMD_OPTIONS: "-DGMX_USE_SIMD_KERNELS=off"
  28     CMAKE_EXTRA_OPTIONS: "-DGMX_CLANG_CUDA=ON"
  29     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=RelWithDebInfo"
  30     COMPILER_MAJOR_VERSION: 12
  31
  32 gromacs:clang-12-cuda-11.4.1:build:
  33   extends:
  34     - .variables:default
  35     - .gromacs:base:build
  36     - .use-clang:base
  37     - .use-ccache
  38     - .rules:post-merge-acceptance
  39   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-12-cuda-11.4.1-hipsycl-7a309b808-rocm-4.3
  40   variables:
  41     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
  42   needs:
  43     - job: gromacs:clang-12-cuda-11.4.1:configure
  44
  45 gromacs:clang-12-cuda-11.4.1:test:
  46   extends:
  47     - .gromacs:base:test
  48     - .rules:post-merge-acceptance
  49   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-12-cuda-11.4.1-hipsycl-7a309b808-rocm-4.3
  50   variables:
  51     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
  52     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
  53     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
  54   tags:
  55     - k8s-scilifelab
  56   needs:
  57     - job: gromacs:clang-12-cuda-11.4.1:build
  58
  59 gromacs:clang-12-cuda-11.4.1:regressiontest:
  60   extends:
  61     - .gromacs:base:regressiontest
  62     - .rules:post-merge-acceptance
  63   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-12-cuda-11.4.1-hipsycl-7a309b808-rocm-4.3
  64   variables:
  65     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
  66     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.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   tags:
  72     - k8s-scilifelab
  73   needs:
  74     - job: gromacs:clang-12-cuda-11.4.1:build
  75     - job: regressiontests:prepare