admin/gitlab-ci/gromacs.matrix/gromacs.clang-12-mpi.gitlab-ci.yml

   1 # Test goal: Clang build with MPI and double precision
   2 # Test intents (should change rarely and conservatively):
   3 #   OS: Ubuntu oldest supported
   4 #   Compiler: Clang newest supported
   5 #   GPU: no
   6 #   MPI: OpenMPI
   7 #   Features: double precision FP
   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: Clang 12
  13 #   MPI: OpenMPI 3.1
  14 #   SIMD: AVX2_256
  15 #   FFT: FFTW3
  16 #   Parallelism np/ntomp: 4/2
  17 #   Subcyclecounting: Active
  18
  19 gromacs:clang-12-mpi:configure:
  20   extends:
  21    - .gromacs:base:configure
  22    - .use-clang:base
  23    - .use-mpi
  24    - .rules:merge-requests
  25   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-12
  26   variables:
  27     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
  28     COMPILER_MAJOR_VERSION: 12
  29     CMAKE_PRECISION_OPTIONS: -DGMX_DOUBLE=ON
  30     CMAKE_EXTRA_OPTIONS: -DGMX_CYCLE_SUBCOUNTERS=ON -DGMX_INSTALL_LEGACY_API=ON
  31
  32 gromacs:clang-12-mpi:build:
  33   # Test using configuration: gromacs:clang-12-mpi:configure
  34   # Test scope: build
  35   extends:
  36     - .variables:default
  37     - .gromacs:base:build
  38     - .before_script:default
  39     - .use-ccache
  40     - .rules:merge-requests
  41   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-12
  42   variables:
  43     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
  44   needs:
  45     - job: gromacs:clang-12-mpi:configure
  46
  47 gromacs:clang-12-mpi:test:
  48   extends:
  49     - .gromacs:base:test
  50     - .rules:merge-requests
  51   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-12
  52   variables:
  53     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
  54   tags:
  55     - k8s-scilifelab
  56   needs:
  57     - job: gromacs:clang-12-mpi:build
  58
  59 gromacs:clang-12:regressiontest:
  60   extends:
  61     - .gromacs:base:regressiontest
  62     - .rules:merge-requests
  63   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-12
  64   variables:
  65     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
  66     REGRESSIONTEST_DOUBLE: "-double"
  67     REGRESSIONTEST_PARALLEL: "-np"
  68   tags:
  69     - k8s-scilifelab
  70   needs:
  71     - job: gromacs:clang-12-mpi:build
  72     - job: regressiontests:prepare
  73