Revert "Change builds that use failing docker containers"

This reverts commit ff579ae821c59a4f5cc502062578ae0eab5786e6.

diff --git a/admin/gitlab-ci/gromacs.gitlab-ci.yml b/admin/gitlab-ci/gromacs.gitlab-ci.yml
index a790dce5e5d716d099aaed00ee03b19a4e499f91..88eb93548ca0e014174f3054fe27f05dd15ff5b0 100644 (file)
--- a/admin/gitlab-ci/gromacs.gitlab-ci.yml
+++ b/admin/gitlab-ci/gromacs.gitlab-ci.yml
@@ -8,7 +8,7 @@ simple-build:
     - .use-gcc:base
     - .rules:basic-push
   stage: pre-build
-  image: gromacs/cmake-3.9.6-gcc-7-amdopencl-clfft-openmpi:2020
+  image: gromacs/cmake-3.9.6-gcc-5-cuda-9.0-openmpi:2020
   tags: []
   variables:
     KUBERNETES_CPU_LIMIT: 8
@@ -20,7 +20,7 @@ simple-build:
     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=Debug"
     CMAKE_GPU_OPTIONS: "-DGMX_GPU=OFF"
     CMAKE_GMXAPI_OPTIONS: "-DGMX_PYTHON_PACKAGE=OFF"
-    COMPILER_MAJOR_VERSION: 7
+    COMPILER_MAJOR_VERSION: 5
     BUILD_DIR: simple-build
   script:
     - echo $CMAKE_COMPILER_SCRIPT
@@ -228,20 +228,16 @@ gromacs:gcc-7:configure:
     CMAKE_GPU_OPTIONS: "-DGMX_GPU=ON -DGMX_USE_OPENCL=ON"
     COMPILER_MAJOR_VERSION: 7
 
-# All jobs marked with temp are changed from the original gcc-6 cuda
-# jobs such as to preserve the original job here and to make it possible to
-# just switch them back once the issues with build system have been fixed.
-# TODO switch back to using gromacs:gcc-6:configure
-gromacs:gcc-7:configure-temp:
+gromacs:gcc-6:configure:
   extends:
     - .gromacs:base:configure
     - .use-gcc:base
     - .use-opencl
     - .rules:merge-requests
-  image: gromacs/cmake-3.9.6-gcc-7-amdopencl-clfft-openmpi:2020
+  image: gromacs/cmake-3.9.6-gcc-6-cuda-10.1-nvidiaopencl-clfft-openmpi:2020
   variables:
     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=SSE4.1"
-    COMPILER_MAJOR_VERSION: 7
+    COMPILER_MAJOR_VERSION: 6
     CMAKE_EXTRA_OPTIONS: "-DGMX_EXTERNAL_CLFFT=ON"
 
 gromacs:clang-TSAN:configure:
@@ -297,15 +293,15 @@ gromacs:clang-ASAN:configure:
     COMPILER_MAJOR_VERSION: 8
     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=ASAN"
 
-# TODO switch back to using gromacs:gcc-6:release:configure
-gromacs:gcc-7:release:configure-temp:
+gromacs:gcc-6:release:configure:
   extends:
     - .gromacs:base:release:configure
     - .use-gcc:base
+    - .use-cuda
     - .rules:nightly-only-for-release
-  image: gromacs/cmake-3.9.6-gcc-7-amdopencl-clfft-openmpi:2020
+  image: gromacs/cmake-3.9.6-gcc-6-cuda-10.1-nvidiaopencl-clfft-openmpi:2020
   variables:
-    COMPILER_MAJOR_VERSION: 7
+    COMPILER_MAJOR_VERSION: 6
     RELEASE_BUILD_DIR: release-builds-gcc
     CMAKE_EXTRA_OPTIONS: "-DGMX_BUILD_MDRUN_ONLY=ON"
     CMAKE_BUILD_TYPE_OPTIONS : "-DCMAKE_BUILD_TYPE=RelWithDebug"
@@ -353,8 +349,9 @@ gromacs:clang-8:release:configure:
   extends:
     - .gromacs:base:release:configure
     - .use-clang:base
+    - .use-cuda
     - .rules:nightly-only-for-release
-  image: gromacs/cmake-3.11.4-llvm-8-openmpi:2020
+  image: gromacs/cmake-3.15.7-llvm-8-cuda-10.1-openmpi:2020
   variables:
     COMPILER_MAJOR_VERSION: 8
     RELEASE_BUILD_DIR: release-builds-clang
@@ -407,17 +404,16 @@ gromacs:gcc-7:build:
     - job: gromacs:gcc-7:configure
       artifacts: true
 
-# TODO switch back to using gromacs:gcc-6:build
-gromacs:gcc-7:build-temp:
+gromacs:gcc-6:build:
   extends:
     - .variables:default
     - .gromacs:base:build
     - .before_script:default
     - .use-ccache
     - .rules:merge-requests
-  image: gromacs/cmake-3.9.6-gcc-7-amdopencl-clfft-openmpi:2020
+  image: gromacs/cmake-3.9.6-gcc-6-cuda-10.1-nvidiaopencl-clfft-openmpi:2020
   needs:
-    - job: gromacs:gcc-7:configure-temp
+    - job: gromacs:gcc-6:configure
 
 gromacs:clang-TSAN:build:
   extends:
@@ -474,8 +470,7 @@ gromacs:clang-3.6:build:
   needs:
     - job: gromacs:clang-3.6:configure
 
-# TODO switch back to using gromacs:gcc-6:release:build
-gromacs:gcc-7:release:build-temp:
+gromacs:gcc-6:release:build:
   extends:
     - .variables:default  
     - .gromacs:base:build
@@ -485,9 +480,9 @@ gromacs:gcc-7:release:build-temp:
   stage: release-build
   variables:
     BUILD_DIR: release-builds-gcc
-  image: gromacs/cmake-3.9.6-gcc-7-amdopencl-clfft-openmpi:2020
+  image: gromacs/cmake-3.9.6-gcc-6-cuda-10.1-nvidiaopencl-clfft-openmpi:2020
   needs:
-    - job: gromacs:gcc-7:release:configure-temp
+    - job: gromacs:gcc-6:release:configure
 
 gromacs:gcc-7:release:build:
   extends:
@@ -527,7 +522,7 @@ gromacs:clang-8:release:build:
   stage: release-build
   variables:
     BUILD_DIR: release-builds-clang
-  image: gromacs/cmake-3.11.4-llvm-8-openmpi:2020
+  image: gromacs/cmake-3.15.7-llvm-8-cuda-10.1-openmpi:2020
   needs:
     - job: gromacs:clang-8:release:configure
 
@@ -606,17 +601,16 @@ gromacs:gcc-7:test:
   needs:
     - job: gromacs:gcc-7:build
 
-# TODO switch back to using gromacs:gcc-6:test
-gromacs:gcc-7:test-temp:
+gromacs:gcc-6:test:
   extends:
     - .gromacs:base:test
     - .rules:merge-requests
-  image: gromacs/cmake-3.9.6-gcc-7-amdopencl-clfft-openmpi:2020
+  image: gromacs/cmake-3.9.6-gcc-6-cuda-10.1-nvidiaopencl-clfft-openmpi:2020
   variables:
     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
   needs:
-    - job: gromacs:gcc-7:build-temp
+    - job: gromacs:gcc-6:build
 
 gromacs:clang-8:test:
   extends:
@@ -668,12 +662,11 @@ gromacs:gcc-7:regressiontest:
     - job: gromacs:gcc-7:build
     - job: regressiontests:prepare
 
-# TODO switch back to using gromacs:gcc-6:regressiontest
-gromacs:gcc-7:regressiontest-temp:
+gromacs:gcc-6:regressiontest:
   extends:
     - .gromacs:base:regressiontest
     - .rules:merge-requests
-  image: gromacs/cmake-3.9.6-gcc-7-amdopencl-clfft-openmpi:2020
+  image: gromacs/cmake-3.9.6-gcc-6-cuda-10.1-nvidiaopencl-clfft-openmpi:2020
   variables:
     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
@@ -681,7 +674,7 @@ gromacs:gcc-7:regressiontest-temp:
     REGRESSIONTEST_TOTAL_RANK_NUMBER: 2
     REGRESSIONTEST_OMP_RANK_NUMBER: 1
   needs:
-    - job: gromacs:gcc-7:build-temp
+    - job: gromacs:gcc-6:build
     - job: regressiontests:prepare
 
 gromacs:clang-8:regressiontest:
@@ -725,18 +718,17 @@ gromacs:clang-3.6:regressiontest:
     - job: gromacs:clang-3.6:build
     - job: regressiontests:prepare
 
-# TODO switch back to using gromacs:gcc-6:release:test
-gromacs:gcc-7:release:test-temp:
+gromacs:gcc-6:release:test:
   extends:
     - .gromacs:base:test
     - .rules:nightly-only-for-release
   stage: release-tests
-  image: gromacs/cmake-3.9.6-gcc-7-amdopencl-clfft-openmpi:2020
+  image: gromacs/cmake-3.9.6-gcc-6-cuda-10.1-nvidiaopencl-clfft-openmpi:2020
   variables:
     BUILD_DIR: release-builds-gcc
   needs:
-    - job: gromacs:gcc-7:release:configure-temp
-    - job: gromacs:gcc-7:release:build-temp
+    - job: gromacs:gcc-6:release:configure
+    - job: gromacs:gcc-6:release:build
 
 gromacs:gcc-7:release:test:
   extends:
@@ -767,7 +759,7 @@ gromacs:clang-8:release:test:
     - .gromacs:base:test
     - .rules:nightly-only-for-release
   stage: release-tests
-  image: gromacs/cmake-3.11.4-llvm-8-openmpi:2020
+  image: gromacs/cmake-3.15.7-llvm-8-cuda-10.1-openmpi:2020
   variables:
     BUILD_DIR: release-builds-clang
   needs:
@@ -806,7 +798,7 @@ gromacs:clang-8:release:regressiontest:
     - .gromacs:base:regressiontest
     - .rules:nightly-only-for-release
   stage: release-tests
-  image: gromacs/cmake-3.11.4-llvm-8-openmpi:2020
+  image: gromacs/cmake-3.15.7-llvm-8-cuda-10.1-openmpi:2020
   variables:
     BUILD_DIR: release-builds-clang
     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"