From: Mark Abraham <mark.j.abraham@gmail.com>
Date: Wed, 16 Sep 2020 15:41:05 +0000 (+0000)
Subject: Activate AMD OpenCL build in release matrix
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=1ec4750285e995462ecb1de3176479bbbfb88b5e;p=alexxy%2Fgromacs.git

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
---

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: