Bump hipSYCL version in the CI container

diff --git a/admin/containers/buildall.sh b/admin/containers/buildall.sh
index 011cb05f5e269332359c2a79bba287d35f3509fb..fd045d8f4a25ed1f2a8f3942cd0c1b9f4f12dfbe 100755 (executable)
--- a/admin/containers/buildall.sh
+++ b/admin/containers/buildall.sh
@@ -19,7 +19,7 @@ args[${#args[@]}]="--llvm 9 --clfft --mpi openmpi --rocm"
 args[${#args[@]}]="--oneapi 2021.1.1"
 args[${#args[@]}]="--oneapi 2021.2.0 --intel-compute-runtime 21.21.19914"
 args[${#args[@]}]="--llvm --doxygen --mpi openmpi --venvs 3.7.7"
-args[${#args[@]}]="--llvm 11 --cuda 11.2.1 --hipsycl 2bc21b677a --rocm 4.0.1"
+args[${#args[@]}]="--llvm 11 --cuda 11.2.2 --hipsycl 9867a7b --rocm 4.0.1"
 
 echo "Building the following images."
 for arg_string in "${args[@]}"; do

diff --git a/admin/gitlab-ci/gromacs.matrix/gromacs.clang-11-cuda-11.2.gitlab-ci.yml b/admin/gitlab-ci/gromacs.matrix/gromacs.clang-11-cuda-11.2.gitlab-ci.yml
index e8a6dc069b40dc00852f0ac50358b37838c268c9..2c1988d21bd3b86d964fd77b259bfe217c733f96 100644 (file)
--- a/admin/gitlab-ci/gromacs.matrix/gromacs.clang-11-cuda-11.2.gitlab-ci.yml
+++ b/admin/gitlab-ci/gromacs.matrix/gromacs.clang-11-cuda-11.2.gitlab-ci.yml
@@ -21,7 +21,7 @@ gromacs:clang-11-cuda-11.2:configure:
     - .use-clang:base
     - .use-cuda
     - .rules:post-merge-acceptance
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-11-cuda-11.2.1-hipsycl-2bc21b677a
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-11-cuda-11.2.2-hipsycl-9867a7b-rocm-4.0.1
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
     CMAKE_SIMD_OPTIONS: "-DGMX_USE_SIMD_KERNELS=off"
@@ -36,7 +36,7 @@ gromacs:clang-11-cuda-11.2:build:
     - .use-clang:base
     - .use-ccache
     - .rules:post-merge-acceptance
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-11-cuda-11.2.1-hipsycl-2bc21b677a
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-11-cuda-11.2.2-hipsycl-9867a7b-rocm-4.0.1
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
   needs:
@@ -46,7 +46,7 @@ gromacs:clang-11-cuda-11.2:test:
   extends:
     - .gromacs:base:test
     - .rules:post-merge-acceptance
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-11-cuda-11.2.1-hipsycl-2bc21b677a
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-11-cuda-11.2.2-hipsycl-9867a7b-rocm-4.0.1
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
@@ -60,7 +60,7 @@ gromacs:clang-11-cuda-11.2:regressiontest:
   extends:
     - .gromacs:base:regressiontest
     - .rules:post-merge-acceptance
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-11-cuda-11.2.1-hipsycl-2bc21b677a
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-11-cuda-11.2.2-hipsycl-9867a7b-rocm-4.0.1
   variables:
     CMAKE: /usr/local/cmake-3.17.2/bin/cmake
     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"

diff --git a/admin/gitlab-ci/gromacs.matrix/gromacs.hipsycl-dev.gitlab-ci.yml b/admin/gitlab-ci/gromacs.matrix/gromacs.hipsycl-dev.gitlab-ci.yml
index ba7c33ca9902b5f4ead1f866b8877f935ed5ced2..808f6eaaea5cbccb0a3a5b1e84e0e3522557f542 100644 (file)
--- a/admin/gitlab-ci/gromacs.matrix/gromacs.hipsycl-dev.gitlab-ci.yml
+++ b/admin/gitlab-ci/gromacs.matrix/gromacs.hipsycl-dev.gitlab-ci.yml
@@ -17,7 +17,7 @@ gromacs:hipsycl-dev:configure:
     - .use-clang:base
     - .use-sycl
     - .rules:merge-and-post-merge-acceptance
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-11-cuda-11.2.1-hipsycl-2bc21b677a
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-11-cuda-11.2.2-hipsycl-9867a7b-rocm-4.0.1
   variables:
     CMAKE: /usr/local/cmake-3.18.4/bin/cmake
     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=AVX2_256"
@@ -34,7 +34,7 @@ gromacs:hipsycl-dev:build:
     - .before_script:default
     # Not using ccache because it plays poorly with syclcc-launcher
     - .rules:merge-and-post-merge-acceptance
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-11-cuda-11.2.1-hipsycl-2bc21b677a
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-11-cuda-11.2.2-hipsycl-9867a7b-rocm-4.0.1
   variables:
     CMAKE: /usr/local/cmake-3.18.4/bin/cmake
   tags:

diff --git a/admin/gitlab-ci/lint.gitlab-ci.yml b/admin/gitlab-ci/lint.gitlab-ci.yml
index dc8f3e49327441fa72b351e5b115acda78c390b3..8fc2ea33040b4435d2c6ff9756015bd5a33f2667 100644 (file)
--- a/admin/gitlab-ci/lint.gitlab-ci.yml
+++ b/admin/gitlab-ci/lint.gitlab-ci.yml
@@ -30,7 +30,7 @@ clang-tidy:configure-schedule-cuda:
     - .use-clang:base
     - .use-cuda
     - .rules:nightly-not-for-release
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-11-cuda-11.2.1-hipsycl-2bc21b677a
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-11-cuda-11.2.2-hipsycl-9867a7b-rocm-4.0.1
   variables:
     CMAKE: cmake
     COMPILER_MAJOR_VERSION: 11
@@ -58,7 +58,7 @@ clang-tidy:build-cuda:
     - .variables:default
     - .rules:nightly-not-for-release
   stage: source-check
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-11-cuda-11.2.1-hipsycl-2bc21b677a
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-11-cuda-11.2.2-hipsycl-9867a7b-rocm-4.0.1
   needs:
     - job: clang-tidy:configure-schedule-cuda
   variables:

diff --git a/src/gromacs/gpu_utils/sycl_kernel_utils.h b/src/gromacs/gpu_utils/sycl_kernel_utils.h
index 18670c92db53e58e2c4a9e5b079ecb40d173153d..42f3437bfe65979e3927c4866e0cf1e4ec5fafb0 100644 (file)
--- a/src/gromacs/gpu_utils/sycl_kernel_utils.h
+++ b/src/gromacs/gpu_utils/sycl_kernel_utils.h
@@ -77,7 +77,11 @@ static inline void atomicFetchAdd(DeviceAccessor<float, mode_atomic> acc, const
     /* While there is support for float atomics on device, the host implementation uses
      * Clang's __atomic_fetch_add intrinsic, that, at least in Clang 11, does not support
      * floats. Luckily, we don't want to run on host. */
+    // The pragmas below can be removed once we switch to sycl::atomic
+#        pragma clang diagnostic push
+#        pragma clang diagnostic ignored "-Wdeprecated-declarations"
     acc[idx].fetch_add(val);
+#        pragma clang diagnostic push
 #    else
     GMX_ASSERT(false, "hipSYCL host codepath not supported");
     GMX_UNUSED_VALUE(val);