Update CI image to OneAPI 2021.1.1, add ICC tests.

[alexxy/gromacs.git] / admin / gitlab-ci / gromacs.gitlab-ci.yml

diff --git a/admin/gitlab-ci/gromacs.gitlab-ci.yml b/admin/gitlab-ci/gromacs.gitlab-ci.yml
index 2850546af49808017f2b218ac7b6ae2d3bf28f57..582be7e014e1b42975c6a9f44199a8000722be8c 100644 (file)
--- a/admin/gitlab-ci/gromacs.gitlab-ci.yml
+++ b/admin/gitlab-ci/gromacs.gitlab-ci.yml
@@ -283,6 +283,16 @@ gromacs:clang-TSAN:configure:
     COMPILER_MAJOR_VERSION: 8
     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=TSAN"
 
+gromacs:icc-2021.1:configure:
+  extends:
+   - .gromacs:base:configure
+   - .use-icc-oneapi:base
+   - .rules:merge-and-post-merge-acceptance
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
+  variables:
+    CMAKE: /usr/local/cmake-3.17.2/bin/cmake
+    COMPILER_MAJOR_VERSION: 2021
+
 gromacs:clang-8:configure:
   extends:
     - .gromacs:base:configure
@@ -327,24 +337,24 @@ gromacs:clang-ASAN:configure:
     COMPILER_MAJOR_VERSION: 8
     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=ASAN"
 
-gromacs:oneapi-2021.1-beta09-opencl:configure:
+gromacs:oneapi-2021.1.1-opencl:configure:
   extends:
    - .gromacs:base:configure
    - .use-oneapi:base
    - .use-opencl
    - .rules:merge-requests
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
     COMPILER_MAJOR_VERSION: 2021
 
-gromacs:oneapi-2021.1-beta09-sycl:configure:
+gromacs:oneapi-2021.1.1-sycl:configure:
   extends:
    - .gromacs:base:configure
    - .use-oneapi:base
    - .use-sycl
    - .rules:merge-and-post-merge-acceptance
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
     COMPILER_MAJOR_VERSION: 2021
@@ -427,13 +437,13 @@ gromacs:clang-8-cuda-10.1:release:configure:
     RELEASE_BUILD_DIR: release-builds-clang
     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=RelWithAssert"
 
-gromacs:oneapi-2021.1-beta09-opencl:release:configure:
+gromacs:oneapi-2021.1.1-opencl:release:configure:
   extends:
    - .gromacs:base:release:configure
    - .use-oneapi:base
    - .use-opencl
    - .rules:nightly-only-for-release
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
     COMPILER_MAJOR_VERSION: 2021
@@ -542,6 +552,18 @@ gromacs:clang-TSAN:build:
   needs:
     - job: gromacs:clang-TSAN:configure
 
+gromacs:icc-2021.1:build:
+  extends:
+    - .variables:default
+    - .gromacs:base:build
+    - .use-icc-oneapi:base
+    - .rules:post-merge-acceptance
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
+  variables:
+    CMAKE: /usr/local/cmake-3.17.2/bin/cmake
+  needs:
+    - job: gromacs:icc-2021.1:configure
+
 gromacs:clang-ASAN:build:
   extends:
     - .variables:default
@@ -598,31 +620,31 @@ gromacs:clang-8:build:
   needs:
     - job: gromacs:clang-8:configure
 
-gromacs:oneapi-2021.1-beta09-opencl:build:
+gromacs:oneapi-2021.1.1-opencl:build:
   extends:
     - .variables:default
     - .gromacs:base:build
     - .use-ccache
     - .use-oneapi:base
     - .rules:merge-requests
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
   needs:
-    - job: gromacs:oneapi-2021.1-beta09-opencl:configure
+    - job: gromacs:oneapi-2021.1.1-opencl:configure
 
-gromacs:oneapi-2021.1-beta09-sycl:build:
+gromacs:oneapi-2021.1.1-sycl:build:
   extends:
     - .variables:default
     - .gromacs:base:build
     - .use-ccache
     - .use-oneapi:base
     - .rules:merge-and-post-merge-acceptance
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
   needs:
-    - job: gromacs:oneapi-2021.1-beta09-sycl:configure
+    - job: gromacs:oneapi-2021.1.1-sycl:configure
 
 gromacs:clang-9-mpi:build:
   extends:
@@ -696,7 +718,7 @@ gromacs:clang-8-cuda-10.1:release:build:
   needs:
     - job: gromacs:clang-8-cuda-10.1:release:configure
 
-gromacs:oneapi-2021.1-beta09-opencl:release:build:
+gromacs:oneapi-2021.1.1-opencl:release:build:
   extends:
     - .variables:default
     - .gromacs:base:build
@@ -709,9 +731,9 @@ gromacs:oneapi-2021.1-beta09-opencl:release:build:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
     BUILD_DIR: release-builds-oneapi
     COMPILER_MAJOR_VERSION: 2021
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
   needs:
-    - job: gromacs:oneapi-2021.1-beta09-opencl:release:configure
+    - job: gromacs:oneapi-2021.1.1-opencl:release:configure
 
 # Jobs running during test stage
 
@@ -871,6 +893,17 @@ gromacs:clang-TSAN:test:
   needs:
     - job: gromacs:clang-TSAN:build
 
+gromacs:icc-2021.1:test:
+  extends:
+    - .gromacs:base:test
+    - .use-icc-oneapi:base
+    - .rules:post-merge-acceptance
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
+  variables:
+    CMAKE: /usr/local/cmake-3.17.2/bin/cmake
+  needs:
+    - job: gromacs:icc-2021.1:build
+
 gromacs:clang-ASAN:test:
   extends:
     - .gromacs:base:test
@@ -898,27 +931,27 @@ gromacs:clang-UBSAN:test:
   needs:
     - job: gromacs:clang-UBSAN:build
 
-gromacs:oneapi-2021.1-beta09-opencl:test:
+gromacs:oneapi-2021.1.1-opencl:test:
   extends:
     - .gromacs:base:test
     - .use-oneapi:base
     - .rules:merge-requests
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
   needs:
-    - job: gromacs:oneapi-2021.1-beta09-opencl:build
+    - job: gromacs:oneapi-2021.1.1-opencl:build
 
-gromacs:oneapi-2021.1-beta09-sycl:test:
+gromacs:oneapi-2021.1.1-sycl:test:
   extends:
     - .gromacs:base:test
     - .use-oneapi:base
     - .rules:post-merge-acceptance
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
   needs:
-    - job: gromacs:oneapi-2021.1-beta09-sycl:build
+    - job: gromacs:oneapi-2021.1.1-sycl:build
 
 gromacs:clang-9-mpi:test:
   extends:
@@ -1088,6 +1121,18 @@ gromacs:clang-TSAN:regressiontest:
     - job: gromacs:clang-TSAN:build
     - job: regressiontests:prepare
 
+gromacs:icc-2021.1:regressiontest:
+  extends:
+    - .gromacs:base:regressiontest
+    - .use-icc-oneapi:base
+    - .rules:post-merge-acceptance
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
+  variables:
+    CMAKE: /usr/local/cmake-3.17.2/bin/cmake
+  needs:
+    - job: gromacs:icc-2021.1:build
+    - job: regressiontests:prepare
+
 gromacs:clang-ASAN:regressiontest:
   extends:
     - .gromacs:base:regressiontest
@@ -1117,28 +1162,28 @@ gromacs:clang-9:regressiontest:
     - job: gromacs:clang-9-mpi:build
     - job: regressiontests:prepare
 
-gromacs:oneapi-2021.1-beta09-opencl:regressiontest:
+gromacs:oneapi-2021.1.1-opencl:regressiontest:
   extends:
     - .gromacs:base:regressiontest
     - .use-oneapi:base
     - .rules:merge-requests
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
   needs:
-    - job: gromacs:oneapi-2021.1-beta09-opencl:build
+    - job: gromacs:oneapi-2021.1.1-opencl:build
     - job: regressiontests:prepare
 
-gromacs:oneapi-2021.1-beta09-sycl:regressiontest:
+gromacs:oneapi-2021.1.1-sycl:regressiontest:
   extends:
     - .gromacs:base:regressiontest
     - .use-oneapi:base
     - .rules:post-merge-acceptance
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
   needs:
-    - job: gromacs:oneapi-2021.1-beta09-sycl:build
+    - job: gromacs:oneapi-2021.1.1-sycl:build
     - job: regressiontests:prepare
 
 gromacs:gcc-8-cuda-11.0:release:test:
@@ -1205,19 +1250,19 @@ gromacs:clang-8-cuda-10.1:release:test:
     - job: gromacs:clang-8-cuda-10.1:release:configure
     - job: gromacs:clang-8-cuda-10.1:release:build
 
-gromacs:oneapi-2021.1-beta09-opencl:release:test:
+gromacs:oneapi-2021.1.1-opencl:release:test:
   extends:
     - .gromacs:base:test
     - .use-oneapi:base
     - .rules:nightly-only-for-release
   stage: release-tests
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
     BUILD_DIR: release-builds-oneapi
   needs:
-    - job: gromacs:oneapi-2021.1-beta09-opencl:release:configure
-    - job: gromacs:oneapi-2021.1-beta09-opencl:release:build
+    - job: gromacs:oneapi-2021.1.1-opencl:release:configure
+    - job: gromacs:oneapi-2021.1.1-opencl:release:build
 
 gromacs:gcc-9:release:regressiontest:
   extends:
@@ -1273,13 +1318,13 @@ gromacs:clang-8-cuda-10.1:release:regressiontest:
     - job: gromacs:clang-8-cuda-10.1:release:build
     - job: regressiontests:package
 
-gromacs:oneapi-2021.1-beta09-opencl:release:regressiontest:
+gromacs:oneapi-2021.1.1-opencl:release:regressiontest:
   extends:
     - .gromacs:base:regressiontest
     - .use-oneapi:base
     - .rules:nightly-only-for-release
   stage: release-tests
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1.1
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
     BUILD_DIR: release-builds-oneapi
@@ -1287,5 +1332,5 @@ gromacs:oneapi-2021.1-beta09-opencl:release:regressiontest:
     REGRESSIONTEST_TOTAL_RANK_NUMBER: 2
     REGRESSIONTEST_OMP_RANK_NUMBER: 1
   needs:
-    - job: gromacs:oneapi-2021.1-beta09-opencl:release:build
+    - job: gromacs:oneapi-2021.1.1-opencl:release:build
     - job: regressiontests:package