Update tested CUDA versions

diff --git a/admin/containers/buildall.sh b/admin/containers/buildall.sh
index a5845cf9b931cfe392d9df8ee7c743dd0cdec267..b3e5c7739ff94659bba82d1e3ca90d1f217b198f 100755 (executable)
--- 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 cc123d9195b47714fbe39e20eaff38a722def3c9..5ba2f652f7b270f4b196f7d4c5b5cf092decd3fb 100644 (file)
--- 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 a7d92f10d7b985c7892e95c331711c8a444cd33a..a664ff14f35280f1d0b6115a4c92b07cdb630369 100644 (file)
--- 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 32254a3d686a907d1cea90eb241175b9651a08a7..3114dc8fb8a6e1e014055fcfdd76ea6fba102e0d 100644 (file)
--- 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 ca45745dc433fdc2eb016ba4506a687ddaf78fd5..e1dcff1c87e95aafc758fa64263c84afc7ea1c0d 100644 (file)
--- 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 37704f40404df23fe8c93503484b3b59e82c188e..ea967a4d7cb5d2cd12388314d9a8d7429023a1cb 100644 (file)
--- 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 e3e5817d02be394e0b59b35566c3baae597542cf..2fda03a9d27e57bcd6a8d32d44f61e5f877a86e6 100644 (file)
--- 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: