admin/gitlab-ci/gromacs.matrix/gromacs.clang-9-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
   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 18.04
  11 #   Build type: Debug
  12 #   Compiler: Clang 9
  13 #   MPI: OpenMPI 3.1
  14 #   SIMD: AVX2_256
  15 #   FFT: FFTW3
  16 #   Parallelism np/ntomp: 4/2
  17
  18 gromacs:clang-9-mpi:configure:
  19   extends:
  20    - .gromacs:base:configure
  21    - .use-clang:base
  22    - .use-mpi
  23    - .rules:merge-requests
  24   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-9
  25   variables:
  26     CMAKE: /usr/local/cmake-3.15.7/bin/cmake
  27     COMPILER_MAJOR_VERSION: 9
  28     CMAKE_PRECISION_OPTIONS: -DGMX_DOUBLE=ON
  29
  30 gromacs:clang-9-mpi:build:
  31   # Test using configuration: gromacs:clang-9-mpi:configure
  32   # Test scope: build
  33   extends:
  34     - .variables:default
  35     - .gromacs:base:build
  36     - .before_script:default
  37     - .use-ccache
  38     - .rules:merge-requests
  39   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-9
  40   variables:
  41     CMAKE: /usr/local/cmake-3.15.7/bin/cmake
  42   needs:
  43     - job: gromacs:clang-9-mpi:configure
  44
  45 gromacs:clang-9-mpi:test:
  46   extends:
  47     - .gromacs:base:test
  48     - .rules:merge-requests
  49   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-9
  50   variables:
  51     CMAKE: /usr/local/cmake-3.15.7/bin/cmake
  52   tags:
  53     - k8s-scilifelab
  54   needs:
  55     - job: gromacs:clang-9-mpi:build
  56
  57 gromacs:clang-9:regressiontest:
  58   extends:
  59     - .gromacs:base:regressiontest
  60     - .rules:merge-requests
  61   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-9
  62   variables:
  63     CMAKE: /usr/local/cmake-3.15.7/bin/cmake
  64     REGRESSIONTEST_DOUBLE: "-double"
  65     REGRESSIONTEST_PARALLEL: "-np"
  66   tags:
  67     - k8s-scilifelab
  68   needs:
  69     - job: gromacs:clang-9-mpi:build
  70     - job: regressiontests:prepare
  71