From: Andrey Alekseenko Date: Wed, 20 Oct 2021 20:27:11 +0000 (+0000) Subject: Update CI containers to oneAPI 2021.4.0 X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?p=alexxy%2Fgromacs.git;a=commitdiff_plain;h=6cea3ac02b633e99167ce572f563368516853349 Update CI containers to oneAPI 2021.4.0 --- diff --git a/admin/containers/buildall.sh b/admin/containers/buildall.sh index 8173f4092f..e7ad2f6118 100755 --- a/admin/containers/buildall.sh +++ b/admin/containers/buildall.sh @@ -16,8 +16,8 @@ args[${#args[@]}]="--llvm 11 --cuda 11.4.1" args[${#args[@]}]="--llvm 11 --tsan" args[${#args[@]}]="--llvm 8 --cuda 11.0 --clfft --mpi openmpi" args[${#args[@]}]="--llvm 12 --clfft --mpi openmpi --rocm" -args[${#args[@]}]="--oneapi 2021.3.0" -args[${#args[@]}]="--oneapi 2021.2.0 --intel-compute-runtime 21.21.19914" +args[${#args[@]}]="--oneapi 2021.4.0" +args[${#args[@]}]="--oneapi 2021.4.0 --intel-compute-runtime" args[${#args[@]}]="--llvm --doxygen --mpi openmpi --venvs 3.7.7" args[${#args[@]}]="--llvm 12 --cuda 11.4.1 --hipsycl 4481c03 --rocm 4.3" diff --git a/admin/containers/scripted_gmx_docker_builds.py b/admin/containers/scripted_gmx_docker_builds.py index ecdbb27b03..08e16d1c17 100755 --- a/admin/containers/scripted_gmx_docker_builds.py +++ b/admin/containers/scripted_gmx_docker_builds.py @@ -124,19 +124,10 @@ _rocm_extra_packages = [ ] # Extra packages needed to build Intel Compute Runtime -_intel_compute_runtime_extra_packages = ['libigc', - 'libigc-dev', - 'libigdgmm11', - 'libigdgmm-dev', - 'libxml2', - 'libxml2-dev', - 'libze-loader', - 'libze-loader-dev', - 'ocl-icd-libopencl1', - 'ocl-icd-opencl-dev', - 'opencl-headers', - 'pkg-config', - ] +_intel_compute_runtime_extra_packages = ['intel-opencl-icd', + 'intel-level-zero-gpu', + 'level-zero', + 'libmfx1'] # Extra packages needed to build Python installations from source. _python_extra_packages = ['build-essential', @@ -419,25 +410,6 @@ def get_hipsycl(args): postinstall=postinstall) -def get_intel_compute_runtime(args): - # The only reason we need to build Compute Runtime ourselves is because Intel packages have no DG1 support - # Otherwise, we could have just installed DEB packages from GitHub or Intel PPA - if args.intel_compute_runtime is None: - return None - - cmake_opts = ['-DCMAKE_BUILD_TYPE=Release', - '-DSKIP_UNIT_TESTS=TRUE', - '-DSUPPORT_GEN8=0', '-DSUPPORT_GEN9=1', '-DSUPPORT_GEN11=1', '-DSUPPORT_GEN12LP=1', '-DSUPPORT_DG1=1', - '-DBUILD_WITH_L0=1'] - - return hpccm.building_blocks.generic_cmake( - repository='https://github.com/intel/compute-runtime.git', - directory='compute-runtime', - prefix='/usr/local', recursive=True, branch=args.intel_compute_runtime, - cmake_opts=cmake_opts, - postinstall=['ldconfig']) - - def add_tsan_compiler_build_stage(input_args, output_stages: typing.Mapping[str, hpccm.Stage]): """Isolate the expensive TSAN preparation stage. @@ -728,9 +700,13 @@ def build_stages(args) -> typing.Iterable[hpccm.Stage]: os_packages += ['lsb-release'] if args.hipsycl is not None: os_packages += ['libboost-fiber-dev'] - if args.intel_compute_runtime is not None: - os_packages += _intel_compute_runtime_extra_packages building_blocks['extra_packages'] = [] + if args.intel_compute_runtime: + building_blocks['extra_packages'] += hpccm.building_blocks.packages( + apt_keys=['https://repositories.intel.com/graphics/intel-graphics.key'], + apt_repositories=[f'deb [arch=amd64] https://repositories.intel.com/graphics/ubuntu focal main'] + ) + os_packages += _intel_compute_runtime_extra_packages if args.rocm is not None: building_blocks['extra_packages'] += hpccm.building_blocks.packages( apt_keys=['http://repo.radeon.com/rocm/rocm.gpg.key'], @@ -760,8 +736,6 @@ def build_stages(args) -> typing.Iterable[hpccm.Stage]: building_blocks['hipSYCL'] = get_hipsycl(args) - building_blocks['intel-compute-runtime'] = get_intel_compute_runtime(args) - # Add Python environments to MPI images, only, so we don't have to worry # about whether to install mpi4py. if args.mpi is not None and len(args.venvs) > 0: diff --git a/admin/containers/utility.py b/admin/containers/utility.py index 96ab29abf5..1843aacb51 100644 --- a/admin/containers/utility.py +++ b/admin/containers/utility.py @@ -126,8 +126,8 @@ parser.add_argument('--hipsycl', type=str, nargs='?', default=None, parser.add_argument('--rocm', type=str, nargs='?', const='debian', default=None, help='Select AMD compute engine version.') -parser.add_argument('--intel-compute-runtime', type=str, nargs='?', default=None, - help='Select Intel Compute Runtime version.') +parser.add_argument('--intel-compute-runtime', action='store_true', default=False, + help='Include Intel Compute Runtime.') parser.add_argument('--clfft', type=str, nargs='?', const='master', default=None, help='Add external clFFT libraries to the build image') @@ -175,8 +175,8 @@ def image_name(configuration: argparse.Namespace) -> str: elements.append(gpusdk + '-' + version) if configuration.oneapi is not None: elements.append('oneapi-' + configuration.oneapi) - if configuration.intel_compute_runtime is not None: - elements.append('intel-' + configuration.intel_compute_runtime) + if configuration.intel_compute_runtime: + elements.append('intel-compute-runtime') if configuration.rocm is not None: if (configuration.rocm != 'debian'): elements.append('rocm-' + configuration.rocm) diff --git a/admin/gitlab-ci/gromacs.matrix.gitlab-ci.yml b/admin/gitlab-ci/gromacs.matrix.gitlab-ci.yml index 3cff82df39..fbb7fc3a6c 100644 --- a/admin/gitlab-ci/gromacs.matrix.gitlab-ci.yml +++ b/admin/gitlab-ci/gromacs.matrix.gitlab-ci.yml @@ -207,8 +207,8 @@ include: - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-11-cuda-11.4.1-release.gitlab-ci.yml' - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-11-release.gitlab-ci.yml' - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.hipsycl-dev.gitlab-ci.yml' - - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-opencl.gitlab-ci.yml' - - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-opencl-release.gitlab-ci.yml' - - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-sycl.gitlab-ci.yml' - - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.2.0-sycl-nightly.gitlab-ci.yml' + - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-opencl.gitlab-ci.yml' + - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-opencl-release.gitlab-ci.yml' + - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-sycl.gitlab-ci.yml' + - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-sycl-nightly.gitlab-ci.yml' diff --git a/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-opencl-release.gitlab-ci.yml b/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-opencl-release.gitlab-ci.yml similarity index 79% rename from admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-opencl-release.gitlab-ci.yml rename to admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-opencl-release.gitlab-ci.yml index 0f88c06caf..18c8f23161 100644 --- a/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-opencl-release.gitlab-ci.yml +++ b/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-opencl-release.gitlab-ci.yml @@ -8,25 +8,25 @@ # Scope: configure, build, unit tests, regression tests # Test implementation choices (free to change as needed): # OS: Ubuntu 20.04 -# Compiler: ICPX 2021.1 +# Compiler: ICPX 2021.4 # MPI: thread_MPI # SIMD: AVX2_256 # Parallelism nt/ntomp: 4/2 (unit tests) # Parallelism nt/ntomp: 2/1 (regression tests) -gromacs:oneapi-2021.3.0-opencl:release:configure: +gromacs:oneapi-2021.4.0-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-20.04-gcc-7-oneapi-2021.3.0 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0 variables: CMAKE: /usr/local/cmake-3.17.2/bin/cmake COMPILER_MAJOR_VERSION: 2021 RELEASE_BUILD_DIR: release-builds-oneapi -gromacs:oneapi-2021.3.0-opencl:release:build: +gromacs:oneapi-2021.4.0-opencl:release:build: extends: - .variables:default - .gromacs:base:build @@ -39,31 +39,31 @@ gromacs:oneapi-2021.3.0-opencl:release:build: 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-20.04-gcc-7-oneapi-2021.3.0 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0 needs: - - job: gromacs:oneapi-2021.3.0-opencl:release:configure + - job: gromacs:oneapi-2021.4.0-opencl:release:configure -gromacs:oneapi-2021.3.0-opencl:release:test: +gromacs:oneapi-2021.4.0-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-20.04-gcc-7-oneapi-2021.3.0 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0 variables: CMAKE: /usr/local/cmake-3.17.2/bin/cmake BUILD_DIR: release-builds-oneapi needs: - - job: gromacs:oneapi-2021.3.0-opencl:release:configure - - job: gromacs:oneapi-2021.3.0-opencl:release:build + - job: gromacs:oneapi-2021.4.0-opencl:release:configure + - job: gromacs:oneapi-2021.4.0-opencl:release:build -gromacs:oneapi-2021.3.0-opencl:release:regressiontest: +gromacs:oneapi-2021.4.0-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-20.04-gcc-7-oneapi-2021.3.0 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0 variables: CMAKE: /usr/local/cmake-3.17.2/bin/cmake BUILD_DIR: release-builds-oneapi @@ -71,5 +71,5 @@ gromacs:oneapi-2021.3.0-opencl:release:regressiontest: REGRESSIONTEST_TOTAL_RANK_NUMBER: 2 REGRESSIONTEST_OMP_RANK_NUMBER: 1 needs: - - job: gromacs:oneapi-2021.3.0-opencl:release:build + - job: gromacs:oneapi-2021.4.0-opencl:release:build - job: regressiontests:package diff --git a/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-opencl.gitlab-ci.yml b/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-opencl.gitlab-ci.yml similarity index 78% rename from admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-opencl.gitlab-ci.yml rename to admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-opencl.gitlab-ci.yml index 3549af8025..348da31c51 100644 --- a/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-opencl.gitlab-ci.yml +++ b/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-opencl.gitlab-ci.yml @@ -8,55 +8,55 @@ # Test implementation choices (free to change as needed): # OS: Ubuntu 20.04 # Build type: Debug -# Compiler: ICPX 2021.1 +# Compiler: ICPX 2021.4 # MPI: thread_MPI # SIMD: AVX2_256 # Parallelism nt/ntomp: 4/2 -gromacs:oneapi-2021.3.0-opencl:configure: +gromacs:oneapi-2021.4.0-opencl:configure: extends: - .gromacs:base:configure - .use-oneapi:base - .use-opencl - .rules:merge-requests - image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.3.0 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0 variables: CMAKE: /usr/local/cmake-3.17.2/bin/cmake COMPILER_MAJOR_VERSION: 2021 -gromacs:oneapi-2021.3.0-opencl:build: +gromacs:oneapi-2021.4.0-opencl:build: extends: - .variables:default - .gromacs:base:build - .use-ccache - .use-oneapi:base - .rules:merge-requests - image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.3.0 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0 variables: CMAKE: /usr/local/cmake-3.17.2/bin/cmake needs: - - job: gromacs:oneapi-2021.3.0-opencl:configure + - job: gromacs:oneapi-2021.4.0-opencl:configure -gromacs:oneapi-2021.3.0-opencl:test: +gromacs:oneapi-2021.4.0-opencl:test: extends: - .gromacs:base:test - .use-oneapi:base - .rules:merge-requests - image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.3.0 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0 variables: CMAKE: /usr/local/cmake-3.17.2/bin/cmake needs: - - job: gromacs:oneapi-2021.3.0-opencl:build + - job: gromacs:oneapi-2021.4.0-opencl:build -gromacs:oneapi-2021.3.0-opencl:regressiontest: +gromacs:oneapi-2021.4.0-opencl:regressiontest: extends: - .gromacs:base:regressiontest - .use-oneapi:base - .rules:merge-requests - image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.3.0 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0 variables: CMAKE: /usr/local/cmake-3.17.2/bin/cmake needs: - - job: gromacs:oneapi-2021.3.0-opencl:build + - job: gromacs:oneapi-2021.4.0-opencl:build - job: regressiontests:prepare diff --git a/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.2.0-sycl-nightly.gitlab-ci.yml b/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-sycl-nightly.gitlab-ci.yml similarity index 83% rename from admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.2.0-sycl-nightly.gitlab-ci.yml rename to admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-sycl-nightly.gitlab-ci.yml index 7a7ea761df..14511a130a 100644 --- a/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.2.0-sycl-nightly.gitlab-ci.yml +++ b/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-sycl-nightly.gitlab-ci.yml @@ -8,43 +8,43 @@ # Test implementation choices (free to change as needed): # OS: Ubuntu 20.04 # Build type: RelWithAssert -# Compiler: ICPX 2021.2 +# Compiler: ICPX 2021.4 # MPI: thread_MPI # SIMD: AVX2_256 # Parallelism nt/ntomp: 2/1 -gromacs:oneapi-2021.2.0-sycl-nightly:configure: +gromacs:oneapi-2021.4.0-sycl-nightly:configure: extends: - .gromacs:base:configure - .use-oneapi:base - .use-sycl - .rules:nightly-not-for-release - image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.2.0-intel-21.21.19914:latest + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0-intel-compute-runtime:latest variables: CMAKE: /usr/local/cmake-3.18.4/bin/cmake COMPILER_MAJOR_VERSION: 2021 -gromacs:oneapi-2021.2.0-sycl-nightly:build: +gromacs:oneapi-2021.4.0-sycl-nightly:build: extends: - .variables:default - .gromacs:base:build - .use-ccache - .use-oneapi:base - .rules:nightly-not-for-release - image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.2.0-intel-21.21.19914:latest + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0-intel-compute-runtime:latest variables: CMAKE: /usr/local/cmake-3.18.4/bin/cmake needs: - - job: gromacs:oneapi-2021.2.0-sycl-nightly:configure + - job: gromacs:oneapi-2021.4.0-sycl-nightly:configure -gromacs:oneapi-2021.2.0-sycl-nightly:test-opencl: +gromacs:oneapi-2021.4.0-sycl-nightly:test-opencl: extends: - .gromacs:base:test - .use-oneapi:base - .rules:nightly-not-for-release tags: - intel-gpu-dg1 - image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.2.0-intel-21.21.19914:latest + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0-intel-compute-runtime:latest variables: CMAKE: /usr/local/cmake-3.18.4/bin/cmake SYCL_DEVICE_FILTER: "opencl:gpu" @@ -55,16 +55,16 @@ gromacs:oneapi-2021.2.0-sycl-nightly:test-opencl: # Except we now don't request any GPUs, so we must set this one up manually until !1585 is merged GMX_TEST_REQUIRED_NUMBER_OF_DEVICES: 2 needs: - - job: gromacs:oneapi-2021.2.0-sycl-nightly:build + - job: gromacs:oneapi-2021.4.0-sycl-nightly:build -gromacs:oneapi-2021.2.0-sycl-nightly:regressiontest-opencl: +gromacs:oneapi-2021.4.0-sycl-nightly:regressiontest-opencl: extends: - .gromacs:base:regressiontest - .use-oneapi:base - .rules:nightly-not-for-release tags: - intel-gpu-dg1 - image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.2.0-intel-21.21.19914:latest + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0-intel-compute-runtime:latest variables: CMAKE: /usr/local/cmake-3.18.4/bin/cmake SYCL_DEVICE_FILTER: "opencl:gpu" @@ -78,20 +78,20 @@ gromacs:oneapi-2021.2.0-sycl-nightly:regressiontest-opencl: # Except we now don't request any GPUs, so we must set this one up manually until !1585 is merged GMX_TEST_REQUIRED_NUMBER_OF_DEVICES: 2 needs: - - job: gromacs:oneapi-2021.2.0-sycl-nightly:build + - job: gromacs:oneapi-2021.4.0-sycl-nightly:build - job: regressiontests:prepare # We have to disable LevelZero tests until https://github.com/intel/llvm/pull/3045 makes it into # the OneAPI release. Without this patch, some of the tests deadlock. -#gromacs:oneapi-2021.2.0-sycl-nightly:test-levelzero: +#gromacs:oneapi-2021.4.0-sycl-nightly:test-levelzero: # extends: # - .gromacs:base:test # - .use-oneapi:base # - .rules:nightly-not-for-release # tags: # - intel-gpu-dg1 -# image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.2.0-intel-21.21.19914:latest +# image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0-intel-compute-runtime:latest # variables: # CMAKE: /usr/local/cmake-3.18.4/bin/cmake # SYCL_DEVICE_FILTER: "level_zero:gpu" @@ -102,16 +102,16 @@ gromacs:oneapi-2021.2.0-sycl-nightly:regressiontest-opencl: # # Except we now don't request any GPUs, so we must set this one up manually until !1585 is merged # GMX_TEST_REQUIRED_NUMBER_OF_DEVICES: 2 # needs: -# - job: gromacs:oneapi-2021.2.0-sycl-nightly:build +# - job: gromacs:oneapi-2021.4.0-sycl-nightly:build # -#gromacs:oneapi-2021.2.0-sycl-nightly:regressiontest-levelzero: +#gromacs:oneapi-2021.4.0-sycl-nightly:regressiontest-levelzero: # extends: # - .gromacs:base:regressiontest # - .use-oneapi:base # - .rules:nightly-not-for-release # tags: # - intel-gpu-dg1 -# image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.2.0-intel-21.21.19914:latest +# image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0-intel-compute-runtime:latest # variables: # CMAKE: /usr/local/cmake-3.18.4/bin/cmake # SYCL_DEVICE_FILTER: "level_zero:gpu" @@ -125,5 +125,5 @@ gromacs:oneapi-2021.2.0-sycl-nightly:regressiontest-opencl: # # Except we now don't request any GPUs, so we must set this one up manually until !1585 is merged # GMX_TEST_REQUIRED_NUMBER_OF_DEVICES: 2 # needs: -# - job: gromacs:oneapi-2021.2.0-sycl-nightly:build +# - job: gromacs:oneapi-2021.4.0-sycl-nightly:build # - job: regressiontests:prepare diff --git a/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-sycl.gitlab-ci.yml b/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-sycl.gitlab-ci.yml similarity index 79% rename from admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-sycl.gitlab-ci.yml rename to admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-sycl.gitlab-ci.yml index 1cc1894743..0f5bd79c42 100644 --- a/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-sycl.gitlab-ci.yml +++ b/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-sycl.gitlab-ci.yml @@ -8,55 +8,55 @@ # Test implementation choices (free to change as needed): # OS: Ubuntu 20.04 # Build type: Debug -# Compiler: ICPX 2021.1 +# Compiler: ICPX 2021.4 # MPI: thread_MPI # SIMD: AVX2_256 # Parallelism nt/ntomp: 4/2 -gromacs:oneapi-2021.3.0-sycl:configure: +gromacs:oneapi-2021.4.0-sycl:configure: extends: - .gromacs:base:configure - .use-oneapi:base - .use-sycl - .rules:merge-and-post-merge-acceptance - image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.3.0 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0 variables: CMAKE: /usr/local/cmake-3.17.2/bin/cmake COMPILER_MAJOR_VERSION: 2021 -gromacs:oneapi-2021.3.0-sycl:build: +gromacs:oneapi-2021.4.0-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-20.04-gcc-7-oneapi-2021.3.0 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0 variables: CMAKE: /usr/local/cmake-3.17.2/bin/cmake needs: - - job: gromacs:oneapi-2021.3.0-sycl:configure + - job: gromacs:oneapi-2021.4.0-sycl:configure -gromacs:oneapi-2021.3.0-sycl:test: +gromacs:oneapi-2021.4.0-sycl:test: extends: - .gromacs:base:test - .use-oneapi:base - .rules:post-merge-acceptance - image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.3.0 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0 variables: CMAKE: /usr/local/cmake-3.17.2/bin/cmake needs: - - job: gromacs:oneapi-2021.3.0-sycl:build + - job: gromacs:oneapi-2021.4.0-sycl:build -gromacs:oneapi-2021.3.0-sycl:regressiontest: +gromacs:oneapi-2021.4.0-sycl:regressiontest: extends: - .gromacs:base:regressiontest - .use-oneapi:base - .rules:post-merge-acceptance - image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.3.0 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0 variables: CMAKE: /usr/local/cmake-3.17.2/bin/cmake needs: - - job: gromacs:oneapi-2021.3.0-sycl:build + - job: gromacs:oneapi-2021.4.0-sycl:build - job: regressiontests:prepare