Update CI containers to oneAPI 2021.4.0

diff --git a/admin/containers/buildall.sh b/admin/containers/buildall.sh
index 8173f4092fb23ddaca0fb1d2260942a58c00dc1a..e7ad2f61189289f666434b6859f14a5d1a8043db 100755 (executable)
--- a/admin/containers/buildall.sh
+++ b/admin/containers/buildall.sh
@@ -16,8 +16,8 @@ args[${#args[@]}]="--llvm 11 --cuda 11.4.1"
 args[${#args[@]}]="--llvm 11 --tsan"
 args[${#args[@]}]="--llvm 8 --cuda 11.0 --clfft --mpi openmpi"
 args[${#args[@]}]="--llvm 12 --clfft --mpi openmpi --rocm"
-args[${#args[@]}]="--oneapi 2021.3.0"
-args[${#args[@]}]="--oneapi 2021.2.0 --intel-compute-runtime 21.21.19914"
+args[${#args[@]}]="--oneapi 2021.4.0"
+args[${#args[@]}]="--oneapi 2021.4.0 --intel-compute-runtime"
 args[${#args[@]}]="--llvm --doxygen --mpi openmpi --venvs 3.7.7"
 args[${#args[@]}]="--llvm 12 --cuda 11.4.1 --hipsycl 4481c03 --rocm 4.3"
 

diff --git a/admin/containers/scripted_gmx_docker_builds.py b/admin/containers/scripted_gmx_docker_builds.py
index ecdbb27b0399aa2acf6c583976af22da395f8343..08e16d1c171e3f9c5e6d53d93c8b00d6fc15ccdd 100755 (executable)
--- a/admin/containers/scripted_gmx_docker_builds.py
+++ b/admin/containers/scripted_gmx_docker_builds.py
@@ -124,19 +124,10 @@ _rocm_extra_packages = [
 ]
 
 # Extra packages needed to build Intel Compute Runtime
-_intel_compute_runtime_extra_packages = ['libigc',
-                                         'libigc-dev',
-                                         'libigdgmm11',
-                                         'libigdgmm-dev',
-                                         'libxml2',
-                                         'libxml2-dev',
-                                         'libze-loader',
-                                         'libze-loader-dev',
-                                         'ocl-icd-libopencl1',
-                                         'ocl-icd-opencl-dev',
-                                         'opencl-headers',
-                                         'pkg-config',
-                                         ]
+_intel_compute_runtime_extra_packages = ['intel-opencl-icd',
+                                         'intel-level-zero-gpu',
+                                         'level-zero',
+                                         'libmfx1']
 
 # Extra packages needed to build Python installations from source.
 _python_extra_packages = ['build-essential',
@@ -419,25 +410,6 @@ def get_hipsycl(args):
         postinstall=postinstall)
 
 
-def get_intel_compute_runtime(args):
-    # The only reason we need to build Compute Runtime ourselves is because Intel packages have no DG1 support
-    # Otherwise, we could have just installed DEB packages from GitHub or Intel PPA
-    if args.intel_compute_runtime is None:
-        return None
-
-    cmake_opts = ['-DCMAKE_BUILD_TYPE=Release',
-                  '-DSKIP_UNIT_TESTS=TRUE',
-                  '-DSUPPORT_GEN8=0', '-DSUPPORT_GEN9=1', '-DSUPPORT_GEN11=1', '-DSUPPORT_GEN12LP=1', '-DSUPPORT_DG1=1',
-                  '-DBUILD_WITH_L0=1']
-
-    return hpccm.building_blocks.generic_cmake(
-        repository='https://github.com/intel/compute-runtime.git',
-        directory='compute-runtime',
-        prefix='/usr/local', recursive=True, branch=args.intel_compute_runtime,
-        cmake_opts=cmake_opts,
-        postinstall=['ldconfig'])
-
-
 def add_tsan_compiler_build_stage(input_args, output_stages: typing.Mapping[str, hpccm.Stage]):
     """Isolate the expensive TSAN preparation stage.
 
@@ -728,9 +700,13 @@ def build_stages(args) -> typing.Iterable[hpccm.Stage]:
         os_packages += ['lsb-release']
     if args.hipsycl is not None:
         os_packages += ['libboost-fiber-dev']
-    if args.intel_compute_runtime is not None:
-        os_packages += _intel_compute_runtime_extra_packages
     building_blocks['extra_packages'] = []
+    if args.intel_compute_runtime:
+        building_blocks['extra_packages'] += hpccm.building_blocks.packages(
+            apt_keys=['https://repositories.intel.com/graphics/intel-graphics.key'],
+            apt_repositories=[f'deb [arch=amd64] https://repositories.intel.com/graphics/ubuntu focal main']
+        )
+        os_packages += _intel_compute_runtime_extra_packages
     if args.rocm is not None:
         building_blocks['extra_packages'] += hpccm.building_blocks.packages(
             apt_keys=['http://repo.radeon.com/rocm/rocm.gpg.key'],
@@ -760,8 +736,6 @@ def build_stages(args) -> typing.Iterable[hpccm.Stage]:
 
     building_blocks['hipSYCL'] = get_hipsycl(args)
 
-    building_blocks['intel-compute-runtime'] = get_intel_compute_runtime(args)
-
     # Add Python environments to MPI images, only, so we don't have to worry
     # about whether to install mpi4py.
     if args.mpi is not None and len(args.venvs) > 0:

diff --git a/admin/containers/utility.py b/admin/containers/utility.py
index 96ab29abf50545e42dc3376d1a45d23e1cbe2172..1843aacb51f1d39600afc6447345c4f57a6cf4bd 100644 (file)
--- a/admin/containers/utility.py
+++ b/admin/containers/utility.py
@@ -126,8 +126,8 @@ parser.add_argument('--hipsycl', type=str, nargs='?', default=None,
 parser.add_argument('--rocm', type=str, nargs='?', const='debian', default=None,
                     help='Select AMD compute engine version.')
 
-parser.add_argument('--intel-compute-runtime', type=str, nargs='?', default=None,
-                    help='Select Intel Compute Runtime version.')
+parser.add_argument('--intel-compute-runtime', action='store_true', default=False,
+                    help='Include Intel Compute Runtime.')
 
 parser.add_argument('--clfft', type=str, nargs='?', const='master', default=None,
                     help='Add external clFFT libraries to the build image')
@@ -175,8 +175,8 @@ def image_name(configuration: argparse.Namespace) -> str:
             elements.append(gpusdk + '-' + version)
     if configuration.oneapi is not None:
         elements.append('oneapi-' + configuration.oneapi)
-    if configuration.intel_compute_runtime is not None:
-        elements.append('intel-' + configuration.intel_compute_runtime)
+    if configuration.intel_compute_runtime:
+        elements.append('intel-compute-runtime')
     if configuration.rocm is not None:
         if (configuration.rocm != 'debian'):
             elements.append('rocm-' + configuration.rocm)

diff --git a/admin/gitlab-ci/gromacs.matrix.gitlab-ci.yml b/admin/gitlab-ci/gromacs.matrix.gitlab-ci.yml
index 3cff82df39e0913ce23877e3982b2869e7af790f..fbb7fc3a6ce99b516d8e6fde6dba36935abe87f3 100644 (file)
--- a/admin/gitlab-ci/gromacs.matrix.gitlab-ci.yml
+++ b/admin/gitlab-ci/gromacs.matrix.gitlab-ci.yml
@@ -207,8 +207,8 @@ include:
   - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-11-cuda-11.4.1-release.gitlab-ci.yml'
   - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.gcc-11-release.gitlab-ci.yml'
   - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.hipsycl-dev.gitlab-ci.yml'
-  - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-opencl.gitlab-ci.yml'
-  - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-opencl-release.gitlab-ci.yml'
-  - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-sycl.gitlab-ci.yml'
-  - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.2.0-sycl-nightly.gitlab-ci.yml'
+  - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-opencl.gitlab-ci.yml'
+  - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-opencl-release.gitlab-ci.yml'
+  - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-sycl.gitlab-ci.yml'
+  - local: '/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-sycl-nightly.gitlab-ci.yml'
 

diff --git a/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-opencl-release.gitlab-ci.yml b/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-opencl-release.gitlab-ci.yml
similarity index 79%
rename from admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-opencl-release.gitlab-ci.yml
rename to admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-opencl-release.gitlab-ci.yml
index 0f88c06caf264ada6450018bcc99ef67c5c5aa1a..18c8f23161241a06de2f7307f47e185279bb0f2a 100644 (file)
--- a/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-opencl-release.gitlab-ci.yml
+++ b/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-opencl-release.gitlab-ci.yml
@@ -8,25 +8,25 @@
 #   Scope: configure, build, unit tests, regression tests
 # Test implementation choices (free to change as needed):
 #   OS: Ubuntu 20.04
-#   Compiler: ICPX 2021.1
+#   Compiler: ICPX 2021.4
 #   MPI: thread_MPI
 #   SIMD: AVX2_256
 #   Parallelism nt/ntomp: 4/2 (unit tests)
 #   Parallelism nt/ntomp: 2/1 (regression tests)
 
-gromacs:oneapi-2021.3.0-opencl:release:configure:
+gromacs:oneapi-2021.4.0-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-20.04-gcc-7-oneapi-2021.3.0
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
     COMPILER_MAJOR_VERSION: 2021
     RELEASE_BUILD_DIR: release-builds-oneapi
 
-gromacs:oneapi-2021.3.0-opencl:release:build:
+gromacs:oneapi-2021.4.0-opencl:release:build:
   extends:
     - .variables:default
     - .gromacs:base:build
@@ -39,31 +39,31 @@ gromacs:oneapi-2021.3.0-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-20.04-gcc-7-oneapi-2021.3.0
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0
   needs:
-    - job: gromacs:oneapi-2021.3.0-opencl:release:configure
+    - job: gromacs:oneapi-2021.4.0-opencl:release:configure
 
-gromacs:oneapi-2021.3.0-opencl:release:test:
+gromacs:oneapi-2021.4.0-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-20.04-gcc-7-oneapi-2021.3.0
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
     BUILD_DIR: release-builds-oneapi
   needs:
-    - job: gromacs:oneapi-2021.3.0-opencl:release:configure
-    - job: gromacs:oneapi-2021.3.0-opencl:release:build
+    - job: gromacs:oneapi-2021.4.0-opencl:release:configure
+    - job: gromacs:oneapi-2021.4.0-opencl:release:build
 
-gromacs:oneapi-2021.3.0-opencl:release:regressiontest:
+gromacs:oneapi-2021.4.0-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-20.04-gcc-7-oneapi-2021.3.0
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
     BUILD_DIR: release-builds-oneapi
@@ -71,5 +71,5 @@ gromacs:oneapi-2021.3.0-opencl:release:regressiontest:
     REGRESSIONTEST_TOTAL_RANK_NUMBER: 2
     REGRESSIONTEST_OMP_RANK_NUMBER: 1
   needs:
-    - job: gromacs:oneapi-2021.3.0-opencl:release:build
+    - job: gromacs:oneapi-2021.4.0-opencl:release:build
     - job: regressiontests:package

diff --git a/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-opencl.gitlab-ci.yml b/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-opencl.gitlab-ci.yml
similarity index 78%
rename from admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-opencl.gitlab-ci.yml
rename to admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-opencl.gitlab-ci.yml
index 3549af80253f4150804381aabaa2cd8e4f4a3206..348da31c515a6dfe4d5c6aeec1936c00ed7d7e0c 100644 (file)
--- a/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-opencl.gitlab-ci.yml
+++ b/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-opencl.gitlab-ci.yml
@@ -8,55 +8,55 @@
 # Test implementation choices (free to change as needed):
 #   OS: Ubuntu 20.04
 #   Build type: Debug
-#   Compiler: ICPX 2021.1
+#   Compiler: ICPX 2021.4
 #   MPI: thread_MPI
 #   SIMD: AVX2_256
 #   Parallelism nt/ntomp: 4/2
 
-gromacs:oneapi-2021.3.0-opencl:configure:
+gromacs:oneapi-2021.4.0-opencl:configure:
   extends:
    - .gromacs:base:configure
    - .use-oneapi:base
    - .use-opencl
    - .rules:merge-requests
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.3.0
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
     COMPILER_MAJOR_VERSION: 2021
 
-gromacs:oneapi-2021.3.0-opencl:build:
+gromacs:oneapi-2021.4.0-opencl:build:
   extends:
     - .variables:default
     - .gromacs:base:build
     - .use-ccache
     - .use-oneapi:base
     - .rules:merge-requests
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.3.0
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
   needs:
-    - job: gromacs:oneapi-2021.3.0-opencl:configure
+    - job: gromacs:oneapi-2021.4.0-opencl:configure
 
-gromacs:oneapi-2021.3.0-opencl:test:
+gromacs:oneapi-2021.4.0-opencl:test:
   extends:
     - .gromacs:base:test
     - .use-oneapi:base
     - .rules:merge-requests
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.3.0
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
   needs:
-    - job: gromacs:oneapi-2021.3.0-opencl:build
+    - job: gromacs:oneapi-2021.4.0-opencl:build
 
-gromacs:oneapi-2021.3.0-opencl:regressiontest:
+gromacs:oneapi-2021.4.0-opencl:regressiontest:
   extends:
     - .gromacs:base:regressiontest
     - .use-oneapi:base
     - .rules:merge-requests
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.3.0
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
   needs:
-    - job: gromacs:oneapi-2021.3.0-opencl:build
+    - job: gromacs:oneapi-2021.4.0-opencl:build
     - job: regressiontests:prepare
 

diff --git a/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.2.0-sycl-nightly.gitlab-ci.yml b/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-sycl-nightly.gitlab-ci.yml
similarity index 83%
rename from admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.2.0-sycl-nightly.gitlab-ci.yml
rename to admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-sycl-nightly.gitlab-ci.yml
index 7a7ea761dfef78f41780ea25c4378cda99be66af..14511a130aff00336a6316983446b37c0ce15835 100644 (file)
--- a/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.2.0-sycl-nightly.gitlab-ci.yml
+++ b/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-sycl-nightly.gitlab-ci.yml
@@ -8,43 +8,43 @@
 # Test implementation choices (free to change as needed):
 #   OS: Ubuntu 20.04
 #   Build type: RelWithAssert
-#   Compiler: ICPX 2021.2
+#   Compiler: ICPX 2021.4
 #   MPI: thread_MPI
 #   SIMD: AVX2_256
 #   Parallelism nt/ntomp: 2/1
 
-gromacs:oneapi-2021.2.0-sycl-nightly:configure:
+gromacs:oneapi-2021.4.0-sycl-nightly:configure:
   extends:
    - .gromacs:base:configure
    - .use-oneapi:base
    - .use-sycl
    - .rules:nightly-not-for-release
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.2.0-intel-21.21.19914:latest
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0-intel-compute-runtime:latest
   variables:
     CMAKE: /usr/local/cmake-3.18.4/bin/cmake
     COMPILER_MAJOR_VERSION: 2021
 
-gromacs:oneapi-2021.2.0-sycl-nightly:build:
+gromacs:oneapi-2021.4.0-sycl-nightly:build:
   extends:
     - .variables:default
     - .gromacs:base:build
     - .use-ccache
     - .use-oneapi:base
     - .rules:nightly-not-for-release
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.2.0-intel-21.21.19914:latest
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0-intel-compute-runtime:latest
   variables:
     CMAKE: /usr/local/cmake-3.18.4/bin/cmake
   needs:
-    - job: gromacs:oneapi-2021.2.0-sycl-nightly:configure
+    - job: gromacs:oneapi-2021.4.0-sycl-nightly:configure
 
-gromacs:oneapi-2021.2.0-sycl-nightly:test-opencl:
+gromacs:oneapi-2021.4.0-sycl-nightly:test-opencl:
   extends:
     - .gromacs:base:test
     - .use-oneapi:base
     - .rules:nightly-not-for-release
   tags:
     - intel-gpu-dg1
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.2.0-intel-21.21.19914:latest
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0-intel-compute-runtime:latest
   variables:
     CMAKE: /usr/local/cmake-3.18.4/bin/cmake
     SYCL_DEVICE_FILTER: "opencl:gpu"
@@ -55,16 +55,16 @@ gromacs:oneapi-2021.2.0-sycl-nightly:test-opencl:
     # Except we now don't request any GPUs, so we must set this one up manually until !1585 is merged
     GMX_TEST_REQUIRED_NUMBER_OF_DEVICES: 2
   needs:
-    - job: gromacs:oneapi-2021.2.0-sycl-nightly:build
+    - job: gromacs:oneapi-2021.4.0-sycl-nightly:build
 
-gromacs:oneapi-2021.2.0-sycl-nightly:regressiontest-opencl:
+gromacs:oneapi-2021.4.0-sycl-nightly:regressiontest-opencl:
   extends:
     - .gromacs:base:regressiontest
     - .use-oneapi:base
     - .rules:nightly-not-for-release
   tags:
     - intel-gpu-dg1
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.2.0-intel-21.21.19914:latest
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0-intel-compute-runtime:latest
   variables:
     CMAKE: /usr/local/cmake-3.18.4/bin/cmake
     SYCL_DEVICE_FILTER: "opencl:gpu"
@@ -78,20 +78,20 @@ gromacs:oneapi-2021.2.0-sycl-nightly:regressiontest-opencl:
     # Except we now don't request any GPUs, so we must set this one up manually until !1585 is merged
     GMX_TEST_REQUIRED_NUMBER_OF_DEVICES: 2
   needs:
-    - job: gromacs:oneapi-2021.2.0-sycl-nightly:build
+    - job: gromacs:oneapi-2021.4.0-sycl-nightly:build
     - job: regressiontests:prepare
 
 # We have to disable LevelZero tests until https://github.com/intel/llvm/pull/3045 makes it into
 # the OneAPI release. Without this patch, some of the tests deadlock.
 
-#gromacs:oneapi-2021.2.0-sycl-nightly:test-levelzero:
+#gromacs:oneapi-2021.4.0-sycl-nightly:test-levelzero:
 #  extends:
 #    - .gromacs:base:test
 #    - .use-oneapi:base
 #    - .rules:nightly-not-for-release
 #  tags:
 #    - intel-gpu-dg1
-#  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.2.0-intel-21.21.19914:latest
+#  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0-intel-compute-runtime:latest
 #  variables:
 #    CMAKE: /usr/local/cmake-3.18.4/bin/cmake
 #    SYCL_DEVICE_FILTER: "level_zero:gpu"
@@ -102,16 +102,16 @@ gromacs:oneapi-2021.2.0-sycl-nightly:regressiontest-opencl:
 #    # Except we now don't request any GPUs, so we must set this one up manually until !1585 is merged
 #    GMX_TEST_REQUIRED_NUMBER_OF_DEVICES: 2
 #  needs:
-#    - job: gromacs:oneapi-2021.2.0-sycl-nightly:build
+#    - job: gromacs:oneapi-2021.4.0-sycl-nightly:build
 #
-#gromacs:oneapi-2021.2.0-sycl-nightly:regressiontest-levelzero:
+#gromacs:oneapi-2021.4.0-sycl-nightly:regressiontest-levelzero:
 #  extends:
 #    - .gromacs:base:regressiontest
 #    - .use-oneapi:base
 #    - .rules:nightly-not-for-release
 #  tags:
 #    - intel-gpu-dg1
-#  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.2.0-intel-21.21.19914:latest
+#  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0-intel-compute-runtime:latest
 #  variables:
 #    CMAKE: /usr/local/cmake-3.18.4/bin/cmake
 #    SYCL_DEVICE_FILTER: "level_zero:gpu"
@@ -125,5 +125,5 @@ gromacs:oneapi-2021.2.0-sycl-nightly:regressiontest-opencl:
 #    # Except we now don't request any GPUs, so we must set this one up manually until !1585 is merged
 #    GMX_TEST_REQUIRED_NUMBER_OF_DEVICES: 2
 #  needs:
-#    - job: gromacs:oneapi-2021.2.0-sycl-nightly:build
+#    - job: gromacs:oneapi-2021.4.0-sycl-nightly:build
 #    - job: regressiontests:prepare

diff --git a/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-sycl.gitlab-ci.yml b/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-sycl.gitlab-ci.yml
similarity index 79%
rename from admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-sycl.gitlab-ci.yml
rename to admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-sycl.gitlab-ci.yml
index 1cc18947432b1132a89359b41d95cc694c46c7e2..0f5bd79c4207fd96f4b919832529e148e23891f2 100644 (file)
--- a/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.3.0-sycl.gitlab-ci.yml
+++ b/admin/gitlab-ci/gromacs.matrix/gromacs.oneapi-2021.4.0-sycl.gitlab-ci.yml
@@ -8,55 +8,55 @@
 # Test implementation choices (free to change as needed):
 #   OS: Ubuntu 20.04
 #   Build type: Debug
-#   Compiler: ICPX 2021.1
+#   Compiler: ICPX 2021.4
 #   MPI: thread_MPI
 #   SIMD: AVX2_256
 #   Parallelism nt/ntomp: 4/2
 
-gromacs:oneapi-2021.3.0-sycl:configure:
+gromacs:oneapi-2021.4.0-sycl:configure:
   extends:
    - .gromacs:base:configure
    - .use-oneapi:base
    - .use-sycl
    - .rules:merge-and-post-merge-acceptance
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.3.0
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
     COMPILER_MAJOR_VERSION: 2021
 
-gromacs:oneapi-2021.3.0-sycl:build:
+gromacs:oneapi-2021.4.0-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-20.04-gcc-7-oneapi-2021.3.0
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
   needs:
-    - job: gromacs:oneapi-2021.3.0-sycl:configure
+    - job: gromacs:oneapi-2021.4.0-sycl:configure
 
-gromacs:oneapi-2021.3.0-sycl:test:
+gromacs:oneapi-2021.4.0-sycl:test:
   extends:
     - .gromacs:base:test
     - .use-oneapi:base
     - .rules:post-merge-acceptance
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.3.0
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
   needs:
-    - job: gromacs:oneapi-2021.3.0-sycl:build
+    - job: gromacs:oneapi-2021.4.0-sycl:build
 
-gromacs:oneapi-2021.3.0-sycl:regressiontest:
+gromacs:oneapi-2021.4.0-sycl:regressiontest:
   extends:
     - .gromacs:base:regressiontest
     - .use-oneapi:base
     - .rules:post-merge-acceptance
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.3.0
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-gcc-7-oneapi-2021.4.0
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
   needs:
-    - job: gromacs:oneapi-2021.3.0-sycl:build
+    - job: gromacs:oneapi-2021.4.0-sycl:build
     - job: regressiontests:prepare