-
-# Jobs running in first pre-build stage
-
-.gromacs:base:configure:
- extends:
- - .variables:default
- stage: configure-build
- cache: {}
- variables:
- KUBERNETES_CPU_LIMIT: 1
- KUBERNETES_CPU_REQUEST: 1
- KUBERNETES_MEMORY_REQUEST: 2Gi
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- CMAKE_EXTRA_OPTIONS: ""
- CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=AVX2_256"
- CMAKE_MPI_OPTIONS: "-DGMX_THREAD_MPI=ON"
- CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=OFF"
- CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=Debug"
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- script:
- - CMAKE=${CMAKE:-$(which cmake)}
- - echo $CMAKE_COMPILER_SCRIPT
- - echo $CMAKE_EXTRA_OPTIONS
- - echo $CMAKE_SIMD_OPTIONS
- - echo $CMAKE_GPU_OPTIONS
- - echo $CMAKE_MPI_OPTIONS
- - echo $CMAKE_PRECISION_OPTIONS
- - echo $CMAKE_BUILD_TYPE_OPTIONS
- - echo $CMAKE_GMXAPI_OPTIONS
- - if [[ -d $BUILD_DIR ]] ; then
- rm -rf $BUILD_DIR && mkdir $BUILD_DIR ;
- else
- echo "Preparing new build directory" ;
- mkdir $BUILD_DIR ;
- fi
- - cd $BUILD_DIR
- - $CMAKE ..
- -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
- $CMAKE_COMPILER_SCRIPT
- $CMAKE_EXTRA_OPTIONS
- $CMAKE_SIMD_OPTIONS
- $CMAKE_MPI_OPTIONS
- $CMAKE_PRECISION_OPTIONS
- $CMAKE_BUILD_TYPE_OPTIONS
- $CMAKE_GPU_OPTIONS
- $CMAKE_GMXAPI_OPTIONS
- -DCMAKE_INSTALL_PREFIX=../$INSTALL_DIR -DGMX_COMPILER_WARNINGS=ON
- 2>&1 | tee cmakeLog.log
- - awk '/CMake Warning/,/^--|^$/' cmakeLog.log | tee cmakeErrors.log
- - if [ -s cmakeErrors.log ] ; then echo "Found CMake warning while processing build"; cat cmakeErrors.log ; exit 1; fi
- - cd ..
- artifacts:
- when: always
- paths:
- - $BUILD_DIR
-
-.gromacs:base:release:configure:
- extends:
- - .variables:default
- stage: release-configure
- cache: {}
- variables:
- KUBERNETES_CPU_LIMIT: 1
- KUBERNETES_CPU_REQUEST: 1
- KUBERNETES_MEMORY_REQUEST: 2Gi
- CMAKE_COMPILER_SCRIPT: ""
- CMAKE_EXTRA_OPTIONS: ""
- CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=AVX2_256"
- CMAKE_MPI_OPTIONS: "-DGMX_THREAD_MPI=ON"
- CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=OFF"
- CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=RelWithAssert"
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- RELEASE_BUILD_DIR: release-builds
- RELEASE_SOURCE: release-source-from-tarball
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- script:
- - CMAKE=${CMAKE:-$(which cmake)}
- - VERSION=`cat version.json |
- python3 -c "import json,sys; print(json.load(sys.stdin)['version'])"`
- - if [[ $GROMACS_RELEASE != "true" ]] ; then
- VERSION=$VERSION-dev ;
- fi
- - SOURCENAME=gromacs-$VERSION
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- - REGTESTTARBALL=$REGTESTNAME.tar.gz
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- - echo "$REGTESTTARBALL"
- - RELEASE_TARBALLS=release-tarballs
- - rm -rf $RELEASE_TARBALLS $RELEASE_SOURCE $RELEASE_REGRESSIONTESTS && mkdir $RELEASE_TARBALLS
- - mv $SOURCETARBALL $RELEASE_TARBALLS
- - mv $REGTESTTARBALL $RELEASE_TARBALLS
- - cd $RELEASE_TARBALLS
- # We rename the source and regressiontest directories
- # to have names for them that don't change for different versions.
- - tar -xf $SOURCETARBALL
- - mv $SOURCENAME ../$RELEASE_SOURCE
- - tar -xf $REGTESTTARBALL
- - mv $REGTESTNAME ../$RELEASE_REGRESSIONTESTS
- - rm $SOURCETARBALL $REGTESTTARBALL
- - cd ..
- - echo $CMAKE_COMPILER_SCRIPT
- - echo $CMAKE_EXTRA_OPTIONS
- - echo $CMAKE_SIMD_OPTIONS
- - echo $CMAKE_GPU_OPTIONS
- - echo $CMAKE_MPI_OPTIONS
- - echo $CMAKE_PRECISION_OPTIONS
- - echo $CMAKE_BUILD_TYPE_OPTIONS
- - echo $CMAKE_GMXAPI_OPTIONS
- - if [[ -d $RELEASE_BUILD_DIR ]] ; then
- echo "Cleaning up build directory" ;
- rm -rf $RELEASE_BUILD_DIR && mkdir $RELEASE_BUILD_DIR ;
- else
- echo "Preparing new build directory" ;
- mkdir $RELEASE_BUILD_DIR ;
- fi
- - cd $RELEASE_BUILD_DIR
- - cmake ../$RELEASE_SOURCE/
- -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
- $CMAKE_COMPILER_SCRIPT
- $CMAKE_EXTRA_OPTIONS
- $CMAKE_SIMD_OPTIONS
- $CMAKE_MPI_OPTIONS
- $CMAKE_PRECISION_OPTIONS
- $CMAKE_BUILD_TYPE_OPTIONS
- $CMAKE_GPU_OPTIONS
- $CMAKE_GMXAPI_OPTIONS
- $CMAKE_REGRESSIONTEST_OPTIONS
- -DCMAKE_INSTALL_PREFIX=../$INSTALL_DIR
- 2>&1 | tee cmakeLog.log
- - awk '/CMake Warning/,/^--|^$/' cmakeLog.log | tee cmakeErrors.log
- - if [ -s cmakeErrors.log ] ; then echo "Found CMake warning while processing build"; cat cmakeErrors.log ; exit 1; fi
- - cd ..
- artifacts:
- when: always
- paths:
- - $RELEASE_BUILD_DIR
- - $RELEASE_REGRESSIONTESTS
- - $RELEASE_SOURCE
-
-# Templates for configuration stage
-
-gromacs:gcc-10:configure:
- extends:
- - .gromacs:base:configure
- - .use-gcc:base
- - .use-opencl
- - .rules:merge-and-post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-10
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
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- CMAKE_EXTRA_OPTIONS: "-DGMX_EXTERNAL_CLFFT=ON"
- COMPILER_MAJOR_VERSION: 10
-
-gromacs:clang-8-cuda-10.0:configure:
- extends:
- - .gromacs:base:configure
- - .use-clang:base
- - .use-cuda
- - .rules:merge-and-post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-cuda-10.0
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- CMAKE_SIMD_OPTIONS: "-DGMX_USE_SIMD_KERNELS=off"
- CMAKE_EXTRA_OPTIONS: "-DGMX_CLANG_CUDA=ON"
- CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=RelWithDebInfo"
- COMPILER_MAJOR_VERSION: 8
-
-gromacs:gcc-7-cuda-10.2:configure:
- extends:
- - .gromacs:base:configure
- - .use-gcc:base
- - .use-cuda
- - .rules:merge-and-post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-cuda-10.2
- variables:
- CMAKE: /usr/local/cmake-3.15.7/bin/cmake
- CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=SSE4.1"
- COMPILER_MAJOR_VERSION: 7
-
-gromacs:gcc-8-cuda-11.0:configureMPI:
- extends:
- - .gromacs:base:configure
- - .use-gcc:base
- - .use-cuda
- - .use-mpi
- - .rules:merge-and-post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
- variables:
- CMAKE: /usr/local/cmake-3.15.7/bin/cmake
- CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=SSE4.1"
- COMPILER_MAJOR_VERSION: 8
-
-gromacs:clang-TSAN:configure:
- extends:
- - .gromacs:base:configure
- - .use-clang:base
- - .rules:merge-and-post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-tsan
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- COMPILER_MAJOR_VERSION: 8
- CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=TSAN"
-
-gromacs:icc-2021.1:configure:
- extends:
- - .gromacs:base:configure
- - .use-icc-oneapi:base
- - .rules:merge-and-post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
- variables:
- CMAKE: /usr/local/cmake-3.17.2/bin/cmake
- COMPILER_MAJOR_VERSION: 2021
-
-gromacs:clang-8:configure:
- extends:
- - .gromacs:base:configure
- - .use-clang:base
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-cuda-10.0
- variables:
- COMPILER_MAJOR_VERSION: 8
-
-gromacs:clang-9-mpi:configure:
- extends:
- - .gromacs:base:configure
- - .use-clang:base
- - .use-mpi
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-9
- variables:
- CMAKE: /usr/local/cmake-3.15.7/bin/cmake
- COMPILER_MAJOR_VERSION: 9
- CMAKE_PRECISION_OPTIONS: -DGMX_DOUBLE=ON
-
-gromacs:clang-static-analyzer:configure:
- extends:
- - .gromacs:base:configure
- - .use-clang:base
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-tsan
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- CMAKE_COMPILER_SCRIPT: "-DCMAKE_CXX_COMPILER=/usr/local/libexec/c++-analyzer -DCMAKE_C_COMPILER=gcc"
- CMAKE_EXTRA_OPTIONS: "-DGMX_CLANG_ANALYZER=ON -DGMX_OPENMP=OFF -DGMX_USE_RDTSCP=OFF -DGMX_FFT_LIBRARY=fftpack -DGMX_DEVELOPER_BUILD=ON"
- CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=None"
-
-gromacs:clang-ASAN:configure:
- extends:
- - .gromacs:base:configure
- - .use-clang:base
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-tsan
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- COMPILER_MAJOR_VERSION: 8
- CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=ASAN"
-
-gromacs:oneapi-2021.1.1-opencl:configure:
- extends:
- - .gromacs:base:configure
- - .use-oneapi:base
- - .use-opencl
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
- variables:
- CMAKE: /usr/local/cmake-3.17.2/bin/cmake
- COMPILER_MAJOR_VERSION: 2021
-
-gromacs:oneapi-2021.1.1-sycl:configure:
- extends:
- - .gromacs:base:configure
- - .use-oneapi:base
- - .use-sycl
- - .rules:merge-and-post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
- variables:
- CMAKE: /usr/local/cmake-3.17.2/bin/cmake
- COMPILER_MAJOR_VERSION: 2021
-
-gromacs:clang-UBSAN:configure:
- extends:
- - .gromacs:base:configure
- - .use-clang:base
- - .rules:merge-and-post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-tsan
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- COMPILER_MAJOR_VERSION: 8
- CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=UBSAN"
-
-gromacs:gcc-8-cuda-11.0:release:configure:
- extends:
- - .gromacs:base:release:configure
- - .use-gcc:base
- - .use-mpi
- - .use-cuda
- - .rules:nightly-only-for-release
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
- variables:
- CMAKE: /usr/local/cmake-3.15.7/bin/cmake
- COMPILER_MAJOR_VERSION: 8
- RELEASE_BUILD_DIR: release-builds-gcc
- CMAKE_EXTRA_OPTIONS: "-DGMX_BUILD_MDRUN_ONLY=ON"
- CMAKE_BUILD_TYPE_OPTIONS : "-DCMAKE_BUILD_TYPE=RelWithAssert"
- CMAKE_REGRESSIONTEST_OPTIONS: ""
- dependencies:
- - archive:package
- - regressiontests:package
- - prepare-release-version
-
-gromacs:gcc-9:release:configure:
- extends:
- - .gromacs:base:release:configure
- - .use-gcc:base
- - .use-opencl
- - .rules:nightly-only-for-release
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-9
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- COMPILER_MAJOR_VERSION: 9
- RELEASE_BUILD_DIR: release-builds-gcc
- CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=RelWithAssert"
- dependencies:
- - archive:package
- - regressiontests:package
- - prepare-release-version
-
-gromacs:clang-9:release:configure:
- extends:
- - .gromacs:base:release:configure
- - .use-clang:base
- - .use-mpi
- - .rules:nightly-only-for-release
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-9
- variables:
- CMAKE: /usr/local/cmake-3.15.7/bin/cmake
- COMPILER_MAJOR_VERSION: 9
- RELEASE_BUILD_DIR: release-builds-clang
- CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=ON"
- CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=RelWithAssert"
- dependencies:
- - archive:package
- - regressiontests:package
- - prepare-release-version
-
-gromacs:clang-8-cuda-10.1:release:configure:
- extends:
- - .gromacs:base:release:configure
- - .use-clang:base
- - .use-cuda
- - .rules:nightly-only-for-release
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-cuda-10.1
- variables:
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- RELEASE_BUILD_DIR: release-builds-clang
- CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=RelWithAssert"
-
-gromacs:oneapi-2021.1.1-opencl:release:configure:
- extends:
- - .gromacs:base:release:configure
- - .use-oneapi:base
- - .use-opencl
- - .rules:nightly-only-for-release
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
- variables:
- CMAKE: /usr/local/cmake-3.17.2/bin/cmake
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- RELEASE_BUILD_DIR: release-builds-oneapi
-
-# Jobs running during build stage
-
-.gromacs:base:build:
- stage: build
- script:
- - CMAKE=${CMAKE:-$(which cmake)}
- - cd $BUILD_DIR
- - $CMAKE --build . -- -j$KUBERNETES_CPU_LIMIT 2>&1 | tee buildLogFile.log
- - $CMAKE --build . --target tests -- -j$KUBERNETES_CPU_LIMIT 2>&1 | tee testBuildLogFile.log
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- artifacts:
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- paths:
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- - $INSTALL_DIR/
-
-.gromacs:static-analyzer-build:
- stage: build
- script:
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- | grep -v "CMake" | tee buildErrors.log || true
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- - cd ..
- artifacts:
- when: always
- paths:
- - $BUILD_DIR/scan_html
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- extends:
- - .variables:default
- - .gromacs:base:build
- - .before_script:default
- - .use-ccache
- - .rules:merge-and-post-merge-acceptance
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- extends:
- - .variables:default
- - .gromacs:base:build
- - .use-clang:base
- - .use-ccache
- - .rules:merge-and-post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-cuda-10.0
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- extends:
- - .variables:default
- - .gromacs:base:build
- - .before_script:default
- - .use-ccache
- - .rules:merge-and-post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-cuda-10.2
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- - job: gromacs:gcc-7-cuda-10.2:configure
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- extends:
- - .variables:default
- - .gromacs:base:build
- - .before_script:default
- - .use-ccache
- - .rules:merge-and-post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
- variables:
- CMAKE: /usr/local/cmake-3.15.7/bin/cmake
- needs:
- - job: gromacs:gcc-8-cuda-11.0:configureMPI
-
-gromacs:clang-TSAN:build:
- extends:
- - .variables:default
- - .gromacs:base:build
- - .use-clang:base
- - .use-ccache
- - .rules:merge-and-post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-tsan
- variables:
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- - job: gromacs:clang-TSAN:configure
-
-gromacs:icc-2021.1:build:
- extends:
- - .variables:default
- - .gromacs:base:build
- - .use-icc-oneapi:base
- - .rules:post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
- variables:
- CMAKE: /usr/local/cmake-3.17.2/bin/cmake
- needs:
- - job: gromacs:icc-2021.1:configure
-
-gromacs:clang-ASAN:build:
- extends:
- - .variables:default
- - .gromacs:base:build
- - .use-clang:base
- - .use-ccache
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-tsan
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:clang-ASAN:configure
-
-gromacs:clang-UBSAN:build:
- extends:
- - .variables:default
- - .gromacs:base:build
- - .use-clang:base
- - .use-ccache
- - .rules:merge-and-post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-tsan
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:clang-UBSAN:configure
-
-gromacs:clang-static-analyzer:build:
- extends:
- - .variables:default
- - .gromacs:static-analyzer-build
- - .use-clang:base
- - .use-ccache
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-tsan
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:clang-static-analyzer:configure
-
-gromacs:clang-8:build:
- extends:
- - .variables:default
- - .gromacs:base:build
- - .before_script:default
- - .use-ccache
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-cuda-10.0
- needs:
- - job: gromacs:clang-8:configure
-
-gromacs:oneapi-2021.1.1-opencl:build:
- extends:
- - .variables:default
- - .gromacs:base:build
- - .use-ccache
- - .use-oneapi:base
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
- variables:
- CMAKE: /usr/local/cmake-3.17.2/bin/cmake
- needs:
- - job: gromacs:oneapi-2021.1.1-opencl:configure
-
-gromacs:oneapi-2021.1.1-sycl:build:
- extends:
- - .variables:default
- - .gromacs:base:build
- - .use-ccache
- - .use-oneapi:base
- - .rules:merge-and-post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
- variables:
- CMAKE: /usr/local/cmake-3.17.2/bin/cmake
- needs:
- - job: gromacs:oneapi-2021.1.1-sycl:configure
-
-gromacs:clang-9-mpi:build:
- extends:
- - .variables:default
- - .gromacs:base:build
- - .before_script:default
- - .use-ccache
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-9
- variables:
- CMAKE: /usr/local/cmake-3.15.7/bin/cmake
- needs:
- - job: gromacs:clang-9-mpi:configure
-
-gromacs:gcc-8-cuda-11.0:release:build:
- extends:
- - .variables:default
- - .gromacs:base:build
- - .before_script:default
- - .use-ccache
- - .rules:nightly-only-for-release
- stage: release-build
- variables:
- CMAKE: /usr/local/cmake-3.15.7/bin/cmake
- BUILD_DIR: release-builds-gcc
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
- needs:
- - job: gromacs:gcc-8-cuda-11.0:release:configure
-
-gromacs:gcc-9:release:build:
- extends:
- - .variables:default
- - .gromacs:base:build
- - .before_script:default
- - .use-ccache
- - .rules:nightly-only-for-release
- stage: release-build
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- BUILD_DIR: release-builds-gcc
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-9
- needs:
- - job: gromacs:gcc-9:release:configure
-
-gromacs:clang-9:release:build:
- extends:
- - .variables:default
- - .gromacs:base:build
- - .before_script:default
- - .use-ccache
- - .rules:nightly-only-for-release
- stage: release-build
- variables:
- CMAKE: /usr/local/cmake-3.15.7/bin/cmake
- BUILD_DIR: release-builds-clang
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-9
- needs:
- - job: gromacs:clang-9:release:configure
-
-gromacs:clang-8-cuda-10.1:release:build:
- extends:
- - .variables:default
- - .gromacs:base:build
- - .before_script:default
- - .use-ccache
- - .rules:nightly-only-for-release
- stage: release-build
- variables:
- BUILD_DIR: release-builds-clang
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-cuda-10.1
- needs:
- - job: gromacs:clang-8-cuda-10.1:release:configure
-
-gromacs:oneapi-2021.1.1-opencl:release:build:
- extends:
- - .variables:default
- - .gromacs:base:build
- - .use-oneapi:base
- - .use-opencl
- - .use-ccache
- - .rules:nightly-only-for-release
- stage: release-build
- variables:
- CMAKE: /usr/local/cmake-3.17.2/bin/cmake
- BUILD_DIR: release-builds-oneapi
- COMPILER_MAJOR_VERSION: 2021
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
- needs:
- - job: gromacs:oneapi-2021.1.1-opencl:release:configure
-
-# Jobs running during test stage
-
-.gromacs:base:test:
- extends:
- - .variables:default
- stage: test
- cache: {}
- retry:
- max: 1
- variables:
- CTEST_RUN_MODE: "ExperimentalTest"
- script:
- - CMAKE=${CMAKE:-$(which cmake)}
- - cd $BUILD_DIR
- - export UBSAN_OPTIONS=halt_on_error=1:print_stacktrace=1:suppressions=$CI_PROJECT_DIR/admin/ubsan-suppressions.txt
- # Needed to run MPI enabled code in the docker images, until we set up different users
- - export OMPI_ALLOW_RUN_AS_ROOT=1
- - export OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1
- - export ASAN_OPTIONS="check_initialization_order=1:detect_invalid_pointer_pairs=1:strict_init_order=true:strict_string_checks=true:detect_stack_use_after_return=true"
- # If $GMX_TEST_REQUIRED_NUMBER_OF_DEVICES is not set and we have GPUs, set it
- - if [ -z $GMX_TEST_REQUIRED_NUMBER_OF_DEVICES ] && [ -n $KUBERNETES_EXTENDED_RESOURCE_NAME ] ; then
- if grep -q '/gpu$' <<< "$KUBERNETES_EXTENDED_RESOURCE_NAME"; then
- echo "export GMX_TEST_REQUIRED_NUMBER_OF_DEVICES=\"$KUBERNETES_EXTENDED_RESOURCE_LIMIT\"";
- export GMX_TEST_REQUIRED_NUMBER_OF_DEVICES="$KUBERNETES_EXTENDED_RESOURCE_LIMIT";
- fi
- fi
- - if grep -qF 'nvidia.com/gpu' <<< "$KUBERNETES_EXTENDED_RESOURCE_NAME"; then
- nvidia-smi || true;
- fi
- - ctest -D $CTEST_RUN_MODE --output-on-failure | tee ctestLog.log || true
- - awk '/The following tests FAILED/,/^Errors while running CTest|^$/'
- ctestLog.log | tee ctestErrors.log
- - xsltproc $CI_PROJECT_DIR/scripts/CTest2JUnit.xsl Testing/`head -n 1 < Testing/TAG`/*.xml > JUnitTestResults.xml
- - if [ -s ctestErrors.log ] ; then
- echo "Error during running ctest";
- exit 1;
- fi
- - cd ..
- artifacts:
- reports:
- junit: $BUILD_DIR/JUnitTestResults.xml
- paths:
- - $BUILD_DIR/Testing
- - $BUILD_DIR/tests
- when: always
- expire_in: 1 week
-
-.gromacs:base:regressiontest:
- extends:
- - .variables:default
- variables:
- KUBERNETES_CPU_LIMIT: 4
- KUBERNETES_CPU_REQUEST: 4
- KUBERNETES_MEMORY_REQUEST: 4Gi
- REGRESSIONTEST_TOTAL_RANK_NUMBER: 4
- REGRESSIONTEST_OMP_RANK_NUMBER: 2
- REGRESSIONTEST_PME_RANK_NUMBER: 1
- REGRESSIONTEST_MPI_RUN_COMMAND: ""
- REGRESSIONTEST_DOUBLE: ""
- REGRESSIONTEST_PARALLEL: "-nt"
- stage: test
- cache: {}
- retry:
- max: 1
- script:
- - export LSAN_OPTIONS="suppressions=$CI_PROJECT_DIR/admin/lsan-suppressions.txt:print_suppressions=0"
- - export ASAN_OPTIONS="check_initialization_order=1:detect_invalid_pointer_pairs=1:strict_init_order=true:strict_string_checks=true:detect_stack_use_after_return=true"
- # Needed to run MPI enabled code in the docker images, until we set up different users
- - export OMPI_ALLOW_RUN_AS_ROOT=1
- - export OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1
- - tar xzf gmx-regressiontests.tar.gz
- - source $INSTALL_DIR/bin/GMXRC
- - cd regressiontests
- - perl gmxtest.pl $REGRESSIONTEST_PARALLEL $REGRESSIONTEST_TOTAL_RANK_NUMBER -ntomp $REGRESSIONTEST_OMP_RANK_NUMBER -npme $REGRESSIONTEST_PME_RANK_NUMBER $REGRESSIONTEST_DOUBLE $REGRESSIONTEST_MPI_RUN_COMMAND -xml all
- artifacts:
- paths:
- - regressiontests/gmxtest.xml
- when: always
- expire_in: 1 week
-
-gromacs:gcc-10:test:
- extends:
- - .gromacs:base:test
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-10
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- KUBERNETES_EXTENDED_RESOURCE_NAME: "amd.com/gpu"
- KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
- LD_LIBRARY_PATH: "/opt/rocm-3.5.0/opencl/lib"
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:gcc-10:build
-
-gromacs:clang-8-cuda-10.0:test:
- extends:
- - .gromacs:base:test
- - .rules:post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-cuda-10.0
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
- KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:clang-8-cuda-10.0:build
-
-gromacs:gcc-7-cuda-10.2:test:
- extends:
- - .gromacs:base:test
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-cuda-10.2
- variables:
- CMAKE: /usr/local/cmake-3.15.7/bin/cmake
- KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
- KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:gcc-7-cuda-10.2:build
-
-gromacs:gcc-8-cuda-10.2:test-gpucommupd:
- extends:
- - .gromacs:base:test
- - .rules:post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-cuda-10.2
- variables:
- CMAKE: /usr/local/cmake-3.15.7/bin/cmake
- KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
- KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
- GMX_GPU_DD_COMMS: 1
- GMX_GPU_PME_PP_COMMS: 1
- GMX_FORCE_UPDATE_DEFAULT_GPU: 1
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:gcc-7-cuda-10.2:build
-
-gromacs:clang-8:test:
- extends:
- - .gromacs:base:test
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-cuda-10.0
- needs:
- - job: gromacs:clang-8:build
-
-gromacs:clang-TSAN:test:
- extends:
- - .gromacs:base:test
- - .rules:post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-tsan
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- needs:
- - job: gromacs:clang-TSAN:build
-
-gromacs:icc-2021.1:test:
- extends:
- - .gromacs:base:test
- - .use-icc-oneapi:base
- - .rules:post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
- variables:
- CMAKE: /usr/local/cmake-3.17.2/bin/cmake
- needs:
- - job: gromacs:icc-2021.1:build
-
-gromacs:clang-ASAN:test:
- extends:
- - .gromacs:base:test
- - .use-clang:base
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-tsan
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- CTEST_RUN_MODE: "ExperimentalMemCheck"
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:clang-ASAN:build
-
-gromacs:clang-UBSAN:test:
- extends:
- - .gromacs:base:test
- - .use-clang:base
- - .rules:post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-tsan
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:clang-UBSAN:build
-
-gromacs:oneapi-2021.1.1-opencl:test:
- extends:
- - .gromacs:base:test
- - .use-oneapi:base
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
- variables:
- CMAKE: /usr/local/cmake-3.17.2/bin/cmake
- needs:
- - job: gromacs:oneapi-2021.1.1-opencl:build
-
-gromacs:oneapi-2021.1.1-sycl:test:
- extends:
- - .gromacs:base:test
- - .use-oneapi:base
- - .rules:post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
- variables:
- CMAKE: /usr/local/cmake-3.17.2/bin/cmake
- needs:
- - job: gromacs:oneapi-2021.1.1-sycl:build
-
-gromacs:clang-9-mpi:test:
- extends:
- - .gromacs:base:test
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-9
- variables:
- CMAKE: /usr/local/cmake-3.15.7/bin/cmake
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:clang-9-mpi:build
-
-gromacs:gcc-10:regressiontest:
- extends:
- - .gromacs:base:regressiontest
- - .rules:post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-10
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- KUBERNETES_EXTENDED_RESOURCE_NAME: "amd.com/gpu"
- KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
- REGRESSIONTEST_PME_RANK_NUMBER: 0
- REGRESSIONTEST_TOTAL_RANK_NUMBER: 2
- REGRESSIONTEST_OMP_RANK_NUMBER: 1
- LD_LIBRARY_PATH: "/opt/rocm-3.5.0/opencl/lib"
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:gcc-10:build
- - job: regressiontests:prepare
-
-gromacs:clang-8-cuda-10.0:regressiontest:
- extends:
- - .gromacs:base:regressiontest
- - .rules:post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-cuda-10.0
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
- KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
- REGRESSIONTEST_PME_RANK_NUMBER: 0
- REGRESSIONTEST_TOTAL_RANK_NUMBER: 2
- REGRESSIONTEST_OMP_RANK_NUMBER: 1
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:clang-8-cuda-10.0:build
- - job: regressiontests:prepare
-
-
-gromacs:gcc-7-cuda-10.2:regressiontest:
- extends:
- - .gromacs:base:regressiontest
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-cuda-10.2
- variables:
- CMAKE: /usr/local/cmake-3.15.7/bin/cmake
- KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
- KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
- REGRESSIONTEST_PME_RANK_NUMBER: 0
- REGRESSIONTEST_TOTAL_RANK_NUMBER: 2
- REGRESSIONTEST_OMP_RANK_NUMBER: 1
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:gcc-7-cuda-10.2:build
- - job: regressiontests:prepare
-
-gromacs:gcc-7-cuda-10.2:regressiontest-gpucommupd-tMPI:
- extends:
- - .gromacs:base:regressiontest
- - .rules:post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-cuda-10.2
- variables:
- CMAKE: /usr/local/cmake-3.15.7/bin/cmake
- KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
- KUBERNETES_EXTENDED_RESOURCE_LIMIT: 2
- REGRESSIONTEST_PME_RANK_NUMBER: 0
- REGRESSIONTEST_TOTAL_RANK_NUMBER: 4
- REGRESSIONTEST_OMP_RANK_NUMBER: 1
- GMX_GPU_DD_COMMS: 1
- GMX_GPU_PME_PP_COMMS: 1
- GMX_FORCE_UPDATE_DEFAULT_GPU: 1
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:gcc-7-cuda-10.2:build
- - job: regressiontests:prepare
- artifacts:
- paths:
- - regressiontests
- when: always
- expire_in: 1 week
-
-gromacs:gcc-7-cuda-10.2:regressiontest-upd-tMPI:
- extends:
- - .gromacs:base:regressiontest
- - .rules:post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-cuda-10.2
- variables:
- KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
- KUBERNETES_EXTENDED_RESOURCE_LIMIT: 2
- REGRESSIONTEST_PME_RANK_NUMBER: 0
- REGRESSIONTEST_TOTAL_RANK_NUMBER: 4
- REGRESSIONTEST_OMP_RANK_NUMBER: 1
- GMX_FORCE_UPDATE_DEFAULT_GPU: 1
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:gcc-7-cuda-10.2:build
- - job: regressiontests:prepare
- artifacts:
- paths:
- - regressiontests
- when: always
- expire_in: 1 week
-
-gromacs:gcc-8-cuda-11.0:regressiontest-gpucommupd-MPI:
- extends:
- - .gromacs:base:regressiontest
- - .rules:post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
- variables:
- CMAKE: /usr/local/cmake-3.15.7/bin/cmake
- KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
- KUBERNETES_EXTENDED_RESOURCE_LIMIT: 2
- REGRESSIONTEST_PME_RANK_NUMBER: 0
- REGRESSIONTEST_TOTAL_RANK_NUMBER: 4
- REGRESSIONTEST_OMP_RANK_NUMBER: 1
- REGRESSIONTEST_PARALLEL: "-np"
- GMX_GPU_DD_COMMS: 1
- GMX_GPU_PME_PP_COMMS: 1
- GMX_FORCE_UPDATE_DEFAULT_GPU: 1
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:gcc-8-cuda-11.0:buildMPI
- - job: regressiontests:prepare
- artifacts:
- paths:
- - regressiontests
- when: always
- expire_in: 1 week
-
-gromacs:clang-8:regressiontest:
- extends:
- - .gromacs:base:regressiontest
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-cuda-10.0
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:clang-8:build
- - job: regressiontests:prepare
-
-gromacs:clang-TSAN:regressiontest:
- extends:
- - .gromacs:base:regressiontest
- - .rules:post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-tsan
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:clang-TSAN:build
- - job: regressiontests:prepare
-
-gromacs:icc-2021.1:regressiontest:
- extends:
- - .gromacs:base:regressiontest
- - .use-icc-oneapi:base
- - .rules:post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
- variables:
- CMAKE: /usr/local/cmake-3.17.2/bin/cmake
- needs:
- - job: gromacs:icc-2021.1:build
- - job: regressiontests:prepare
-
-gromacs:clang-ASAN:regressiontest:
- extends:
- - .gromacs:base:regressiontest
- - .use-clang:base
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-tsan
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:clang-ASAN:build
- - job: regressiontests:prepare
-
-gromacs:clang-9:regressiontest:
- extends:
- - .gromacs:base:regressiontest
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-9
- variables:
- CMAKE: /usr/local/cmake-3.15.7/bin/cmake
- REGRESSIONTEST_DOUBLE: "-double"
- REGRESSIONTEST_PARALLEL: "-np"
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:clang-9-mpi:build
- - job: regressiontests:prepare
-
-gromacs:oneapi-2021.1.1-opencl:regressiontest:
- extends:
- - .gromacs:base:regressiontest
- - .use-oneapi:base
- - .rules:merge-requests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
- variables:
- CMAKE: /usr/local/cmake-3.17.2/bin/cmake
- needs:
- - job: gromacs:oneapi-2021.1.1-opencl:build
- - job: regressiontests:prepare
-
-gromacs:oneapi-2021.1.1-sycl:regressiontest:
- extends:
- - .gromacs:base:regressiontest
- - .use-oneapi:base
- - .rules:post-merge-acceptance
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
- variables:
- CMAKE: /usr/local/cmake-3.17.2/bin/cmake
- needs:
- - job: gromacs:oneapi-2021.1.1-sycl:build
- - job: regressiontests:prepare
-
-gromacs:gcc-8-cuda-11.0:release:test:
- extends:
- - .gromacs:base:test
- - .rules:nightly-only-for-release
- stage: release-tests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
- variables:
- CMAKE: /usr/local/cmake-3.15.7/bin/cmake
- KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
- KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
- BUILD_DIR: release-builds-gcc
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:gcc-8-cuda-11.0:release:configure
- - job: gromacs:gcc-8-cuda-11.0:release:build
-
-gromacs:gcc-9:release:test:
- extends:
- - .gromacs:base:test
- - .rules:nightly-only-for-release
- stage: release-tests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-9
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- BUILD_DIR: release-builds-gcc
- KUBERNETES_EXTENDED_RESOURCE_NAME: "amd.com/gpu"
- KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
- LD_LIBRARY_PATH: "/opt/rocm-3.5.0/opencl/lib"
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:gcc-9:release:configure
- - job: gromacs:gcc-9:release:build
-
-gromacs:clang-9:release:test:
- extends:
- - .gromacs:base:test
- - .rules:nightly-only-for-release
- stage: release-tests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-9
- variables:
- CMAKE: /usr/local/cmake-3.15.7/bin/cmake
- BUILD_DIR: release-builds-clang
- needs:
- - job: gromacs:clang-9:release:configure
- - job: gromacs:clang-9:release:build
-
-gromacs:clang-8-cuda-10.1:release:test:
- extends:
- - .gromacs:base:test
- - .rules:nightly-only-for-release
- stage: release-tests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-cuda-10.1
- variables:
- KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
- KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
- BUILD_DIR: release-builds-clang
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:clang-8-cuda-10.1:release:configure
- - job: gromacs:clang-8-cuda-10.1:release:build
-
-gromacs:oneapi-2021.1.1-opencl:release:test:
- extends:
- - .gromacs:base:test
- - .use-oneapi:base
- - .rules:nightly-only-for-release
- stage: release-tests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
- variables:
- CMAKE: /usr/local/cmake-3.17.2/bin/cmake
- BUILD_DIR: release-builds-oneapi
- needs:
- - job: gromacs:oneapi-2021.1.1-opencl:release:configure
- - job: gromacs:oneapi-2021.1.1-opencl:release:build
-
-gromacs:gcc-9:release:regressiontest:
- extends:
- - .gromacs:base:regressiontest
- - .rules:nightly-only-for-release
- stage: release-tests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-9
- variables:
- CMAKE: /usr/local/cmake-3.13.0/bin/cmake
- BUILD_DIR: release-builds-gcc
- KUBERNETES_EXTENDED_RESOURCE_NAME: "amd.com/gpu"
- KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
- LD_LIBRARY_PATH: "/opt/rocm-3.5.0/opencl/lib"
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:gcc-9:release:build
- - job: regressiontests:package
-
-gromacs:clang-9:release:regressiontest:
- extends:
- - .gromacs:base:regressiontest
- - .rules:nightly-only-for-release
- stage: release-tests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-9
- variables:
- CMAKE: /usr/local/cmake-3.15.7/bin/cmake
- BUILD_DIR: release-builds-clang
- REGRESSIONTEST_DOUBLE: "-double"
- REGRESSIONTEST_PARALLEL: "-np"
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:clang-9:release:build
- - job: regressiontests:package
-
-gromacs:clang-8-cuda-10.1:release:regressiontest:
- extends:
- - .gromacs:base:regressiontest
- - .rules:nightly-only-for-release
- stage: release-tests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-cuda-10.1
- variables:
- BUILD_DIR: release-builds-clang
- KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
- KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
- REGRESSIONTEST_PME_RANK_NUMBER: 0
- REGRESSIONTEST_TOTAL_RANK_NUMBER: 2
- REGRESSIONTEST_OMP_RANK_NUMBER: 1
- tags:
- - k8s-scilifelab
- needs:
- - job: gromacs:clang-8-cuda-10.1:release:build
- - job: regressiontests:package
-
-gromacs:oneapi-2021.1.1-opencl:release:regressiontest:
- extends:
- - .gromacs:base:regressiontest
- - .use-oneapi:base
- - .rules:nightly-only-for-release
- stage: release-tests
- image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
- variables:
- CMAKE: /usr/local/cmake-3.17.2/bin/cmake
- BUILD_DIR: release-builds-oneapi
- REGRESSIONTEST_PME_RANK_NUMBER: 0
- REGRESSIONTEST_TOTAL_RANK_NUMBER: 2
- REGRESSIONTEST_OMP_RANK_NUMBER: 1
- needs:
- - job: gromacs:oneapi-2021.1.1-opencl:release:build
- - job: regressiontests:package
biod.pnpi.spb.ru / alexxy / gromacs.git / commitdiff