1 # Test goal: CUDA GPU communications with OpenMPI
2 # Test intents (should change rarely and conservatively):
3 # OS: Ubuntu oldest supported
4 # GPU: CUDA newest supported with its newest supported gcc
7 # Features: GPU direct communications + update (regression tests with dual GPU)
8 # Scope: configure, build, regression tests
9 # Test implementation choices (free to change as needed):
11 # Build type: RelWithDebInfo
16 # Parallelism np/ntomp: 4/1 (regression tests with dual GPU)
18 gromacs:gcc-10-cuda-11.2:configureMPI:
20 - .gromacs:base:configure
24 - .rules:merge-and-post-merge-acceptance
25 image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-10-cuda-11.2.2
27 CMAKE: /usr/local/cmake-3.18.4/bin/cmake
28 CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=SSE4.1"
29 COMPILER_MAJOR_VERSION: 10
31 gromacs:gcc-10-cuda-11.2:buildMPI:
35 - .before_script:default
37 - .rules:merge-and-post-merge-acceptance
38 image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-10-cuda-11.2.2
40 CMAKE: /usr/local/cmake-3.18.4/bin/cmake
42 - job: gromacs:gcc-10-cuda-11.2:configureMPI
44 gromacs:gcc-10-cuda-11.2:regressiontest-gpucommupd-MPI:
45 # Test parallelism np/ntomp: 4/1
46 # Test parallelism GPU: direct communications, update
48 - .gromacs:base:regressiontest
49 - .rules:post-merge-acceptance
50 image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-10-cuda-11.2.2
52 CMAKE: /usr/local/cmake-3.18.4/bin/cmake
53 KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
54 KUBERNETES_EXTENDED_RESOURCE_LIMIT: 2
55 REGRESSIONTEST_PME_RANK_NUMBER: 0
56 REGRESSIONTEST_TOTAL_RANK_NUMBER: 4
57 REGRESSIONTEST_OMP_RANK_NUMBER: 1
58 REGRESSIONTEST_PARALLEL: "-np"
60 GMX_GPU_PME_PP_COMMS: 1
61 GMX_FORCE_UPDATE_DEFAULT_GPU: 1
65 - job: gromacs:gcc-10-cuda-11.2:buildMPI
66 - job: regressiontests:prepare