From 5b87c7485e9b94a46104baa54a70cbbe90bc9688 Mon Sep 17 00:00:00 2001 From: Mark Abraham Date: Thu, 3 Jun 2021 16:03:23 +0000 Subject: [PATCH] Update tested CUDA versions --- admin/containers/buildall.sh | 8 ++-- admin/containers/utility.py | 2 +- admin/gitlab-ci/gromacs.matrix.gitlab-ci.yml | 8 ++-- ...s.clang-8-cuda-11.0-release.gitlab-ci.yml} | 28 ++++++------ ...cs.gcc-10-cuda-11.2-release.gitlab-ci.yml} | 31 +++++++------ ...=> gromacs.gcc-10-cuda-11.2.gitlab-ci.yml} | 26 +++++------ ... => gromacs.gcc-7-cuda-11.0.gitlab-ci.yml} | 44 +++++++++---------- 7 files changed, 72 insertions(+), 75 deletions(-) rename admin/gitlab-ci/gromacs.matrix/{gromacs.clang-8-cuda-10.1-release.gitlab-ci.yml => gromacs.clang-8-cuda-11.0-release.gitlab-ci.yml} (70%) rename admin/gitlab-ci/gromacs.matrix/{gromacs.gcc-8-cuda-11.0-release.gitlab-ci.yml => gromacs.gcc-10-cuda-11.2-release.gitlab-ci.yml} (66%) rename admin/gitlab-ci/gromacs.matrix/{gromacs.gcc-8-cuda-11.0.gitlab-ci.yml => gromacs.gcc-10-cuda-11.2.gitlab-ci.yml} (73%) rename admin/gitlab-ci/gromacs.matrix/{gromacs.gcc-7-cuda-10.2.gitlab-ci.yml => gromacs.gcc-7-cuda-11.0.gitlab-ci.yml} (76%) diff --git a/admin/containers/buildall.sh b/admin/containers/buildall.sh index a5845cf9b9..b3e5c7739f 100755 --- a/admin/containers/buildall.sh +++ b/admin/containers/buildall.sh @@ -11,13 +11,11 @@ SCRIPT=$PWD/scripted_gmx_docker_builds.py args[${#args[@]}]="--gcc 10 --clfft --mpi openmpi --ubuntu 20.04" args[${#args[@]}]="--gcc 9 --clfft --mpi openmpi" -args[${#args[@]}]="--gcc 8 --cuda 11.0 --clfft --mpi openmpi" -args[${#args[@]}]="--gcc 7 --cuda 10.2 --clfft --mpi openmpi --ubuntu 18.04" +args[${#args[@]}]="--gcc 10 --cuda 11.2.2 --clfft --mpi openmpi --ubuntu 20.04" +args[${#args[@]}]="--gcc 7 --cuda 11.0 --clfft --mpi openmpi --ubuntu 20.04" args[${#args[@]}]="--llvm 8 --tsan" args[${#args[@]}]="--llvm 11 --tsan" -args[${#args[@]}]="--llvm 8 --cuda 10.0 --clfft --mpi openmpi" -args[${#args[@]}]="--llvm 8 --cuda 10.1 --clfft --mpi openmpi" -args[${#args[@]}]="--llvm 8 --cuda 11.0 --clfft --mpi openmpi" +args[${#args[@]}]="--llvm 8 --cuda 11.0 --clfft --mpi openmpi --ubuntu 20.04" args[${#args[@]}]="--llvm 9 --clfft --mpi openmpi --ubuntu 18.04" args[${#args[@]}]="--oneapi 2021.1.1" args[${#args[@]}]="--oneapi 2021.2.0 --intel-compute-runtime 21.21.19914 --ubuntu 20.04" diff --git a/admin/containers/utility.py b/admin/containers/utility.py index cc123d9195..5ba2f652f7 100644 --- a/admin/containers/utility.py +++ b/admin/containers/utility.py @@ -111,7 +111,7 @@ linux_group.add_argument('--ubuntu', type=str, nargs='?', const='18.04', default linux_group.add_argument('--centos', type=str, nargs='?', const='7', default=None, help='Select Centos Linux base image.') -parser.add_argument('--cuda', type=str, nargs='?', const='10.2', default=None, +parser.add_argument('--cuda', type=str, nargs='?', const='11.0', default=None, help='Select a CUDA version for a base Linux image from NVIDIA.') parser.add_argument('--mpi', type=str, nargs='?', const='openmpi', default=None, diff --git a/admin/gitlab-ci/gromacs.matrix.gitlab-ci.yml b/admin/gitlab-ci/gromacs.matrix.gitlab-ci.yml index a7d92f10d7..a664ff14f3 100644 --- a/admin/gitlab-ci/gromacs.matrix.gitlab-ci.yml +++ b/admin/gitlab-ci/gromacs.matrix.gitlab-ci.yml @@ -258,7 +258,7 @@ expire_in: 1 week include: - - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.clang-8-cuda-10.1-release.gitlab-ci.yml' + - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.clang-8-cuda-11.0-release.gitlab-ci.yml' - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.clang-8.gitlab-ci.yml' - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.clang-9-mpi.gitlab-ci.yml' - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.clang-9-release.gitlab-ci.yml' @@ -269,9 +269,9 @@ include: - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.clang-UBSAN.gitlab-ci.yml' - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-10.gitlab-ci.yml' - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-10-coverage.gitlab-ci.yml' - - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-7-cuda-10.2.gitlab-ci.yml' - - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-8-cuda-11.0.gitlab-ci.yml' - - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-8-cuda-11.0-release.gitlab-ci.yml' + - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-7-cuda-11.0.gitlab-ci.yml' + - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-10-cuda-11.2.gitlab-ci.yml' + - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-10-cuda-11.2-release.gitlab-ci.yml' - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-9-release.gitlab-ci.yml' - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.hipsycl-dev.gitlab-ci.yml' - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.1.1-opencl.gitlab-ci.yml' diff --git a/admin/gitlab-ci/gromacs.matrix/gromacs.clang-8-cuda-10.1-release.gitlab-ci.yml b/admin/gitlab-ci/gromacs.matrix/gromacs.clang-8-cuda-11.0-release.gitlab-ci.yml similarity index 70% rename from admin/gitlab-ci/gromacs.matrix/gromacs.clang-8-cuda-10.1-release.gitlab-ci.yml rename to admin/gitlab-ci/gromacs.matrix/gromacs.clang-8-cuda-11.0-release.gitlab-ci.yml index 32254a3d68..3114dc8fb8 100644 --- a/admin/gitlab-ci/gromacs.matrix/gromacs.clang-8-cuda-10.1-release.gitlab-ci.yml +++ b/admin/gitlab-ci/gromacs.matrix/gromacs.clang-8-cuda-11.0-release.gitlab-ci.yml @@ -5,29 +5,29 @@ # HW: NVIDIA GPU # Scope: configure, build, unit tests, regression tests # Test implementation choices (free to change as needed): -# OS: Ubuntu 18.04 +# OS: Ubuntu 20.04 # Build type: RelWithAssert # Compiler: Clang 8 -# GPU: CUDA 10.1 +# GPU: CUDA 11.0 # MPI: thread_MPI # SIMD: AVX2_256 # FFT: FFTW3 # Parallelism nt/ntomp: 4/2 (unit tests) # Parallelism nt/ntomp: 2/1 (regression tests) -gromacs:clang-8-cuda-10.1:release:configure: +gromacs:clang-8-cuda-11.0: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 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-8-cuda-11.0 variables: COMPILER_MAJOR_VERSION: 8 RELEASE_BUILD_DIR: release-builds-clang CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=RelWithAssert" -gromacs:clang-8-cuda-10.1:release:build: +gromacs:clang-8-cuda-11.0:release:build: extends: - .variables:default - .gromacs:base:build @@ -37,16 +37,16 @@ gromacs:clang-8-cuda-10.1:release:build: stage: release-build variables: BUILD_DIR: release-builds-clang - image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-llvm-8-cuda-10.1 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-8-cuda-11.0 needs: - - job: gromacs:clang-8-cuda-10.1:release:configure + - job: gromacs:clang-8-cuda-11.0:release:configure -gromacs:clang-8-cuda-10.1:release:test: +gromacs:clang-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-llvm-8-cuda-10.1 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-8-cuda-11.0 variables: KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu" KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1 @@ -54,15 +54,15 @@ gromacs:clang-8-cuda-10.1:release:test: tags: - k8s-scilifelab needs: - - job: gromacs:clang-8-cuda-10.1:release:configure - - job: gromacs:clang-8-cuda-10.1:release:build + - job: gromacs:clang-8-cuda-11.0:release:configure + - job: gromacs:clang-8-cuda-11.0:release:build -gromacs:clang-8-cuda-10.1:release:regressiontest: +gromacs:clang-8-cuda-11.0: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 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-8-cuda-11.0 variables: BUILD_DIR: release-builds-clang KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu" @@ -73,6 +73,6 @@ gromacs:clang-8-cuda-10.1:release:regressiontest: tags: - k8s-scilifelab needs: - - job: gromacs:clang-8-cuda-10.1:release:build + - job: gromacs:clang-8-cuda-11.0:release:build - job: regressiontests:package diff --git a/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-8-cuda-11.0-release.gitlab-ci.yml b/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-10-cuda-11.2-release.gitlab-ci.yml similarity index 66% rename from admin/gitlab-ci/gromacs.matrix/gromacs.gcc-8-cuda-11.0-release.gitlab-ci.yml rename to admin/gitlab-ci/gromacs.matrix/gromacs.gcc-10-cuda-11.2-release.gitlab-ci.yml index ca45745dc4..e1dcff1c87 100644 --- a/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-8-cuda-11.0-release.gitlab-ci.yml +++ b/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-10-cuda-11.2-release.gitlab-ci.yml @@ -1,31 +1,30 @@ # Test goal: GCC with newest CUDA # Test intents (should change rarely and conservatively): # OS: Ubuntu oldest supported -# GPU: CUDA newest supported +# GPU: CUDA newest supported with its newest supported gcc # HW: NVIDIA GPU # CMake: oldest supported # Scope: configure, build, unit tests # Test implementation choices (free to change as needed): -# OS: Ubuntu 18.04 -# Build type: RelWithAssert -# Compiler: GCC 8 -# MPI: thread_MPI -# GPU: CUDA 11.0 +# OS: Ubuntu 20.04 +# Build type: RelWithDebInfo +# Compiler: GCC 10.2 +# GPU: CUDA 11.3 # SIMD: AVX2_256 # FFT: FFTW3 # Parallelism nt/ntomp: 4/2 (unit tests) -gromacs:gcc-8-cuda-11.0:release:configure: +gromacs:gcc-10-cuda-11.2: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 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-10-cuda-11.2.2 variables: CMAKE: /usr/local/cmake-3.16.3/bin/cmake - COMPILER_MAJOR_VERSION: 8 + COMPILER_MAJOR_VERSION: 10 RELEASE_BUILD_DIR: release-builds-gcc CMAKE_BUILD_TYPE_OPTIONS : "-DCMAKE_BUILD_TYPE=RelWithAssert" CMAKE_REGRESSIONTEST_OPTIONS: "" @@ -34,7 +33,7 @@ gromacs:gcc-8-cuda-11.0:release:configure: - regressiontests:package - prepare-release-version -gromacs:gcc-8-cuda-11.0:release:build: +gromacs:gcc-10-cuda-11.2:release:build: extends: - .variables:default - .gromacs:base:build @@ -45,16 +44,16 @@ gromacs:gcc-8-cuda-11.0:release:build: variables: CMAKE: /usr/local/cmake-3.16.3/bin/cmake BUILD_DIR: release-builds-gcc - image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-10-cuda-11.2.2 needs: - - job: gromacs:gcc-8-cuda-11.0:release:configure + - job: gromacs:gcc-10-cuda-11.2:release:configure -gromacs:gcc-8-cuda-11.0:release:test: +gromacs:gcc-10-cuda-11.2: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 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-10-cuda-11.2.2 variables: CMAKE: /usr/local/cmake-3.16.3/bin/cmake KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu" @@ -63,6 +62,6 @@ gromacs:gcc-8-cuda-11.0:release:test: tags: - k8s-scilifelab needs: - - job: gromacs:gcc-8-cuda-11.0:release:configure - - job: gromacs:gcc-8-cuda-11.0:release:build + - job: gromacs:gcc-10-cuda-11.2:release:configure + - job: gromacs:gcc-10-cuda-11.2:release:build diff --git a/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-8-cuda-11.0.gitlab-ci.yml b/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-10-cuda-11.2.gitlab-ci.yml similarity index 73% rename from admin/gitlab-ci/gromacs.matrix/gromacs.gcc-8-cuda-11.0.gitlab-ci.yml rename to admin/gitlab-ci/gromacs.matrix/gromacs.gcc-10-cuda-11.2.gitlab-ci.yml index 37704f4040..ea967a4d7c 100644 --- a/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-8-cuda-11.0.gitlab-ci.yml +++ b/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-10-cuda-11.2.gitlab-ci.yml @@ -1,53 +1,53 @@ # Test goal: CUDA GPU communications with OpenMPI # Test intents (should change rarely and conservatively): # OS: Ubuntu oldest supported -# GPU: CUDA newest supported +# GPU: CUDA newest supported with its newest supported gcc # HW: dual NVIDIA GPU # MPI: OpenMPI # Features: GPU direct communications + update (regression tests with dual GPU) # Scope: configure, build, regression tests # Test implementation choices (free to change as needed): -# OS: Ubuntu 18.04 +# OS: Ubuntu 20.04 # Build type: RelWithDebInfo -# Compiler: GCC 8 -# GPU: CUDA 11.0 +# Compiler: GCC 10.2 +# GPU: CUDA 11.3 # SIMD: SSE 4.1 # FFT: FFTW3 # Parallelism np/ntomp: 4/1 (regression tests with dual GPU) -gromacs:gcc-8-cuda-11.0:configureMPI: +gromacs:gcc-10-cuda-11.2: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 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-10-cuda-11.2.2 variables: CMAKE: /usr/local/cmake-3.18.4/bin/cmake CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=SSE4.1" - COMPILER_MAJOR_VERSION: 8 + COMPILER_MAJOR_VERSION: 10 -gromacs:gcc-8-cuda-11.0:buildMPI: +gromacs:gcc-10-cuda-11.2:buildMPI: 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 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-10-cuda-11.2.2 variables: CMAKE: /usr/local/cmake-3.18.4/bin/cmake needs: - - job: gromacs:gcc-8-cuda-11.0:configureMPI + - job: gromacs:gcc-10-cuda-11.2:configureMPI -gromacs:gcc-8-cuda-11.0:regressiontest-gpucommupd-MPI: +gromacs:gcc-10-cuda-11.2:regressiontest-gpucommupd-MPI: # Test parallelism np/ntomp: 4/1 # Test parallelism GPU: direct communications, update extends: - .gromacs:base:regressiontest - .rules:post-merge-acceptance - image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-10-cuda-11.2.2 variables: CMAKE: /usr/local/cmake-3.18.4/bin/cmake KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu" @@ -62,7 +62,7 @@ gromacs:gcc-8-cuda-11.0:regressiontest-gpucommupd-MPI: tags: - k8s-scilifelab needs: - - job: gromacs:gcc-8-cuda-11.0:buildMPI + - job: gromacs:gcc-10-cuda-11.2:buildMPI - job: regressiontests:prepare artifacts: paths: diff --git a/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-7-cuda-10.2.gitlab-ci.yml b/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-7-cuda-11.0.gitlab-ci.yml similarity index 76% rename from admin/gitlab-ci/gromacs.matrix/gromacs.gcc-7-cuda-10.2.gitlab-ci.yml rename to admin/gitlab-ci/gromacs.matrix/gromacs.gcc-7-cuda-11.0.gitlab-ci.yml index e3e5817d02..2fda03a9d2 100644 --- a/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-7-cuda-10.2.gitlab-ci.yml +++ b/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-7-cuda-11.0.gitlab-ci.yml @@ -10,46 +10,46 @@ # Features: GPU update (regression tests with dual GPU) # Scope: configure, build, unit tests, regression tests # Test implementation choices (free to change as needed): -# OS: Ubuntu 18.04 +# OS: Ubuntu 20.04 # Build type: Debug # Compiler: GCC 7 -# GPU: CUDA 10.2 +# GPU: CUDA 11.0 # SIMD: SSE 4.1 # FFT: FFTW3 # Parallelism nt/ntomp: 4/2 (unit tests) # Parallelism nt/ntomp: 2/1 (regression tests) # Parallelism nt/ntomp: 4/1 (regression tests with dual GPU) -gromacs:gcc-7-cuda-10.2:configure: +gromacs:gcc-7-cuda-11.0: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 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-cuda-11.0 variables: CMAKE: /usr/local/cmake-3.17.2/bin/cmake CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=SSE4.1" COMPILER_MAJOR_VERSION: 7 -gromacs:gcc-7-cuda-10.2:build: +gromacs:gcc-7-cuda-11.0:build: 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 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-cuda-11.0 variables: CMAKE: /usr/local/cmake-3.17.2/bin/cmake needs: - - job: gromacs:gcc-7-cuda-10.2:configure + - job: gromacs:gcc-7-cuda-11.0:configure -gromacs:gcc-7-cuda-10.2:test: +gromacs:gcc-7-cuda-11.0:test: extends: - .gromacs:base:test - .rules:merge-requests - image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-cuda-10.2 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-cuda-11.0 variables: CMAKE: /usr/local/cmake-3.17.2/bin/cmake KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu" @@ -57,13 +57,13 @@ gromacs:gcc-7-cuda-10.2:test: tags: - k8s-scilifelab needs: - - job: gromacs:gcc-7-cuda-10.2:build + - job: gromacs:gcc-7-cuda-11.0:build -gromacs:gcc-7-cuda-10.2:test-gpucommupd: +gromacs:gcc-7-cuda-11.0:test-gpucommupd: extends: - .gromacs:base:test - .rules:post-merge-acceptance - image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-cuda-10.2 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-cuda-11.0 variables: CMAKE: /usr/local/cmake-3.17.2/bin/cmake KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu" @@ -74,13 +74,13 @@ gromacs:gcc-7-cuda-10.2:test-gpucommupd: tags: - k8s-scilifelab needs: - - job: gromacs:gcc-7-cuda-10.2:build + - job: gromacs:gcc-7-cuda-11.0:build -gromacs:gcc-7-cuda-10.2:regressiontest: +gromacs:gcc-7-cuda-11.0:regressiontest: extends: - .gromacs:base:regressiontest - .rules:merge-requests - image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-cuda-10.2 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-cuda-11.0 variables: CMAKE: /usr/local/cmake-3.17.2/bin/cmake KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu" @@ -91,14 +91,14 @@ gromacs:gcc-7-cuda-10.2:regressiontest: tags: - k8s-scilifelab needs: - - job: gromacs:gcc-7-cuda-10.2:build + - job: gromacs:gcc-7-cuda-11.0:build - job: regressiontests:prepare -gromacs:gcc-7-cuda-10.2:regressiontest-gpucommupd-tMPI: +gromacs:gcc-7-cuda-11.0: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 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-cuda-11.0 variables: CMAKE: /usr/local/cmake-3.17.2/bin/cmake KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu" @@ -112,7 +112,7 @@ gromacs:gcc-7-cuda-10.2:regressiontest-gpucommupd-tMPI: tags: - k8s-scilifelab needs: - - job: gromacs:gcc-7-cuda-10.2:build + - job: gromacs:gcc-7-cuda-11.0:build - job: regressiontests:prepare artifacts: paths: @@ -120,11 +120,11 @@ gromacs:gcc-7-cuda-10.2:regressiontest-gpucommupd-tMPI: when: always expire_in: 1 week -gromacs:gcc-7-cuda-10.2:regressiontest-upd-tMPI: +gromacs:gcc-7-cuda-11.0: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 + image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-cuda-11.0 variables: KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu" KUBERNETES_EXTENDED_RESOURCE_LIMIT: 2 @@ -135,7 +135,7 @@ gromacs:gcc-7-cuda-10.2:regressiontest-upd-tMPI: tags: - k8s-scilifelab needs: - - job: gromacs:gcc-7-cuda-10.2:build + - job: gromacs:gcc-7-cuda-11.0:build - job: regressiontests:prepare artifacts: paths: -- 2.22.0