From 1ec4750285e995462ecb1de3176479bbbfb88b5e Mon Sep 17 00:00:00 2001 From: Mark Abraham Date: Wed, 16 Sep 2020 15:41:05 +0000 Subject: [PATCH] Activate AMD OpenCL build in release matrix This had never been turned on. Fixed missing file for OpenCL installation. Also reordered the install list in alphabetical order, per style. Refs #3272 --- admin/containers/buildall.sh | 4 ++-- admin/containers/scripted_gmx_docker_builds.py | 2 +- admin/gitlab-ci/gromacs.gitlab-ci.yml | 12 ++++++++++++ 3 files changed, 15 insertions(+), 3 deletions(-) diff --git a/admin/containers/buildall.sh b/admin/containers/buildall.sh index 13ba71aa2c..1cbea0cad9 100644 --- a/admin/containers/buildall.sh +++ b/admin/containers/buildall.sh @@ -16,7 +16,7 @@ python3 $SCRIPT --cmake 3.15.7 --gcc 8 --cuda 11.0 --opencl --clfft --mpi openmp tag="gromacs/cmake-3.13.0-gcc-7-amdopencl-clfft-openmpi-master" tags[${#tags[@]}]=$tag -python3 $SCRIPT --cmake 3.13.0 --gcc 7 --opencl amd --clfft --mpi openmpi | docker build -t $tag - +python3 $SCRIPT --cmake 3.13.0 --gcc 7 --opencl amd --clfft --mpi openmpi --ubuntu 18.04 | docker build -t $tag - tag="gromacs/cmake-3.13.0-llvm-8-tsan-master" tags[${#tags[@]}]=$tag @@ -40,7 +40,7 @@ python3 $SCRIPT --cmake 3.13.0 --llvm 9 --opencl intel --mpi openmpi | docker bu tag="gromacs/cmake-3.13.0-llvm-9-amdopencl-openmpi-master" tags[${#tags[@]}]=$tag -python3 $SCRIPT --cmake 3.13.0 --llvm 9 --opencl amd --mpi openmpi | docker build -t $tag - +python3 $SCRIPT --cmake 3.13.0 --llvm 9 --opencl amd --mpi openmpi --ubuntu 18.04 | docker build -t $tag - tag="gromacs/cmake-3.17.2-oneapi-2021.1-beta08-master" tags[${#tags[@]}]=$tag diff --git a/admin/containers/scripted_gmx_docker_builds.py b/admin/containers/scripted_gmx_docker_builds.py index 13ef766e87..82738e4231 100644 --- a/admin/containers/scripted_gmx_docker_builds.py +++ b/admin/containers/scripted_gmx_docker_builds.py @@ -268,7 +268,7 @@ def get_opencl(args): return hpccm.building_blocks.packages( apt_keys=['http://repo.radeon.com/rocm/apt/debian/rocm.gpg.key'], apt_repositories=['deb [arch=amd64] http://repo.radeon.com/rocm/apt/debian/ xenial main'], - ospackages=['ocl-icd-libopencl1', 'ocl-icd-opencl-dev', 'opencl-headers', 'libelf1', 'rocm-opencl']) + ospackages=['ocl-icd-libopencl1', 'ocl-icd-opencl-dev', 'opencl-headers', 'libelf1', 'rocm-opencl', 'rocm-dev', 'clinfo']) else: return None diff --git a/admin/gitlab-ci/gromacs.gitlab-ci.yml b/admin/gitlab-ci/gromacs.gitlab-ci.yml index 65b9bec66b..f2afb2d093 100644 --- a/admin/gitlab-ci/gromacs.gitlab-ci.yml +++ b/admin/gitlab-ci/gromacs.gitlab-ci.yml @@ -338,10 +338,12 @@ gromacs:gcc-7:release:configure: extends: - .gromacs:base:release:configure - .use-gcc:base + - .use-opencl - .rules:nightly-only-for-release image: gromacs/cmake-3.13.0-gcc-7-amdopencl-clfft-openmpi-master variables: COMPILER_MAJOR_VERSION: 7 + CMAKE_EXTRA_OPTIONS: "-DGMX_EXTERNAL_CLFFT=ON" RELEASE_BUILD_DIR: release-builds-gcc CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=RelWithAssert" dependencies: @@ -696,6 +698,7 @@ gromacs:gcc-7:test: variables: 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: @@ -788,6 +791,7 @@ gromacs:gcc-7:regressiontest: 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: @@ -897,6 +901,11 @@ gromacs:gcc-7:release:test: image: gromacs/cmake-3.13.0-gcc-7-amdopencl-clfft-openmpi-master variables: 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-7:release:configure - job: gromacs:gcc-7:release:build @@ -954,6 +963,9 @@ gromacs:gcc-7:release:regressiontest: image: gromacs/cmake-3.13.0-gcc-7-amdopencl-clfft-openmpi-master variables: 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: -- 2.22.0