From a14e7b18df4a7e535b58ea77e65345884e2d6e55 Mon Sep 17 00:00:00 2001 From: Harmen Stoppels Date: Fri, 5 Feb 2021 09:08:17 +0100 Subject: [PATCH 1/7] Make nvToolsExt conditional on WITH_CUDA_PROFILING --- src/CMakeLists.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index 351373e29fa..763df46897f 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -233,8 +233,8 @@ if (USE_ACCEL) dbcsr PRIVATE $<$:CUDA::cudart> $<$:CUDA::cublas> - $<$:CUDA::nvToolsExt> $<$:CUDA::nvrtc> + $<$:CUDA::nvToolsExt> $<$:roc::hipblas> $<$:hip::host> $<$:OpenCL::OpenCL>) From a6fa6a83b18b5855b28c9bbee6802d8ed635e2b0 Mon Sep 17 00:00:00 2001 From: Harmen Stoppels Date: Fri, 5 Feb 2021 15:58:28 +0100 Subject: [PATCH 2/7] no need for these flags on mc partition w/o calls to srun --- .ci/daint.cscs.ch/cray.build.sh | 4 ---- .ci/daint.cscs.ch/gnu.build.sh | 4 ---- .ci/daint.cscs.ch/intel.build.sh | 4 ---- .ci/daint.cscs.ch/ocl.build.sh | 4 ---- 4 files changed, 16 deletions(-) diff --git a/.ci/daint.cscs.ch/cray.build.sh b/.ci/daint.cscs.ch/cray.build.sh index 82016b666a0..c1647f321a9 100755 --- a/.ci/daint.cscs.ch/cray.build.sh +++ b/.ci/daint.cscs.ch/cray.build.sh @@ -1,13 +1,9 @@ #!/bin/bash -l #SBATCH --export=ALL -#SBATCH --exclusive #SBATCH --constraint="mc" #SBATCH --partition="cscsci" #SBATCH --nodes=1 -#SBATCH --ntasks-per-node=4 -#SBATCH --cpus-per-task=3 -#SBATCH --ntasks-per-core=1 # 1=no HT, 2=HT set -o errexit set -o nounset diff --git a/.ci/daint.cscs.ch/gnu.build.sh b/.ci/daint.cscs.ch/gnu.build.sh index 76984955c40..8673d7f35a1 100755 --- a/.ci/daint.cscs.ch/gnu.build.sh +++ b/.ci/daint.cscs.ch/gnu.build.sh @@ -1,13 +1,9 @@ #!/bin/bash -l #SBATCH --export=ALL -#SBATCH --exclusive #SBATCH --constraint="mc" #SBATCH --partition="cscsci" #SBATCH --nodes=1 -#SBATCH --ntasks-per-node=4 -#SBATCH --cpus-per-task=3 -#SBATCH --ntasks-per-core=1 # 1=no HT, 2=HT set -o errexit set -o nounset diff --git a/.ci/daint.cscs.ch/intel.build.sh b/.ci/daint.cscs.ch/intel.build.sh index 4a92733d87d..e333596c89f 100755 --- a/.ci/daint.cscs.ch/intel.build.sh +++ b/.ci/daint.cscs.ch/intel.build.sh @@ -1,13 +1,9 @@ #!/bin/bash -l #SBATCH --export=ALL -#SBATCH --exclusive #SBATCH --constraint="mc" #SBATCH --partition="cscsci" #SBATCH --nodes=1 -#SBATCH --ntasks-per-node=4 -#SBATCH --cpus-per-task=3 -#SBATCH --ntasks-per-core=1 # 1=no HT, 2=HT set -o errexit set -o nounset diff --git a/.ci/daint.cscs.ch/ocl.build.sh b/.ci/daint.cscs.ch/ocl.build.sh index 52c153ee929..ed4e088602d 100755 --- a/.ci/daint.cscs.ch/ocl.build.sh +++ b/.ci/daint.cscs.ch/ocl.build.sh @@ -1,13 +1,9 @@ #!/bin/bash -l #SBATCH --export=ALL -#SBATCH --exclusive #SBATCH --constraint="mc" #SBATCH --partition="cscsci" #SBATCH --nodes=1 -#SBATCH --ntasks-per-node=4 -#SBATCH --cpus-per-task=3 -#SBATCH --ntasks-per-core=1 # 1=no HT, 2=HT set -o errexit set -o nounset From d317ff2497c5d5e691cd0e2d9bc2a657985ebce9 Mon Sep 17 00:00:00 2001 From: Harmen Stoppels Date: Fri, 5 Feb 2021 15:59:01 +0100 Subject: [PATCH 3/7] Use --hint=nomultithread and work around --exclusive bug --- .ci/daint.cscs.ch/cray.test.sh | 3 +-- .ci/daint.cscs.ch/gnu.test.sh | 3 +-- .ci/daint.cscs.ch/intel.test.sh | 3 +-- .ci/daint.cscs.ch/ocl.test.sh | 3 +-- 4 files changed, 4 insertions(+), 8 deletions(-) diff --git a/.ci/daint.cscs.ch/cray.test.sh b/.ci/daint.cscs.ch/cray.test.sh index ee5df55151b..f98212e1e06 100755 --- a/.ci/daint.cscs.ch/cray.test.sh +++ b/.ci/daint.cscs.ch/cray.test.sh @@ -1,13 +1,12 @@ #!/bin/bash -l #SBATCH --export=ALL -#SBATCH --exclusive #SBATCH --constraint="gpu" #SBATCH --partition="cscsci" #SBATCH --nodes=1 #SBATCH --ntasks-per-node=4 #SBATCH --cpus-per-task=3 -#SBATCH --ntasks-per-core=1 # 1=no HT, 2=HT +#SBATCH --hint=nomultithread set -o errexit set -o nounset diff --git a/.ci/daint.cscs.ch/gnu.test.sh b/.ci/daint.cscs.ch/gnu.test.sh index 2ed9c13b050..49f7aba7d63 100755 --- a/.ci/daint.cscs.ch/gnu.test.sh +++ b/.ci/daint.cscs.ch/gnu.test.sh @@ -1,13 +1,12 @@ #!/bin/bash -l #SBATCH --export=ALL -#SBATCH --exclusive #SBATCH --constraint="gpu" #SBATCH --partition="cscsci" #SBATCH --nodes=1 #SBATCH --ntasks-per-node=4 #SBATCH --cpus-per-task=3 -#SBATCH --ntasks-per-core=1 # 1=no HT, 2=HT +#SBATCH --hint=nomultithread set -o errexit set -o nounset diff --git a/.ci/daint.cscs.ch/intel.test.sh b/.ci/daint.cscs.ch/intel.test.sh index 0e3497a7cf0..b4f211382d6 100755 --- a/.ci/daint.cscs.ch/intel.test.sh +++ b/.ci/daint.cscs.ch/intel.test.sh @@ -1,13 +1,12 @@ #!/bin/bash -l #SBATCH --export=ALL -#SBATCH --exclusive #SBATCH --constraint="gpu" #SBATCH --partition="cscsci" #SBATCH --nodes=1 #SBATCH --ntasks-per-node=4 #SBATCH --cpus-per-task=3 -#SBATCH --ntasks-per-core=1 # 1=no HT, 2=HT +#SBATCH --hint=nomultithread set -o errexit set -o nounset diff --git a/.ci/daint.cscs.ch/ocl.test.sh b/.ci/daint.cscs.ch/ocl.test.sh index c7a180bd22e..aecffdac8ea 100755 --- a/.ci/daint.cscs.ch/ocl.test.sh +++ b/.ci/daint.cscs.ch/ocl.test.sh @@ -1,13 +1,12 @@ #!/bin/bash -l #SBATCH --export=ALL -#SBATCH --exclusive #SBATCH --constraint="gpu" #SBATCH --partition="cscsci" #SBATCH --nodes=1 #SBATCH --ntasks-per-node=4 #SBATCH --cpus-per-task=3 -#SBATCH --ntasks-per-core=1 # 1=no HT, 2=HT +#SBATCH --hint=nomultithread set -o errexit set -o nounset From 4081e8de24320f394c9d93c158411bd3446848e4 Mon Sep 17 00:00:00 2001 From: Harmen Stoppels Date: Fri, 5 Feb 2021 15:59:22 +0100 Subject: [PATCH 4/7] make mkdir consistent with other test.sh files --- .ci/daint.cscs.ch/ocl.test.sh | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/.ci/daint.cscs.ch/ocl.test.sh b/.ci/daint.cscs.ch/ocl.test.sh index aecffdac8ea..797e2d60dca 100755 --- a/.ci/daint.cscs.ch/ocl.test.sh +++ b/.ci/daint.cscs.ch/ocl.test.sh @@ -21,8 +21,7 @@ set -o xtrace # do not set earlier to avoid noise from module umask 0002 # make sure group members can access the data -mkdir -p "${SCRATCH}/${BUILD_TAG}.ocl" -chmod 0775 "${SCRATCH}/${BUILD_TAG}.ocl" +mkdir --mode=0775 -p "${SCRATCH}/${BUILD_TAG}.ocl" cd "${SCRATCH}/${BUILD_TAG}.ocl" export CRAY_CUDA_MPS=1 # enable the CUDA proxy for MPI+CUDA From 34e02831a78cd93563dc6941e76b9e9929af0b18 Mon Sep 17 00:00:00 2001 From: Harmen Stoppels Date: Fri, 5 Feb 2021 16:00:56 +0100 Subject: [PATCH 5/7] Bring back -Werror in Release --- cmake/CompilerConfiguration.cmake | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/cmake/CompilerConfiguration.cmake b/cmake/CompilerConfiguration.cmake index 351ea8d53b7..af29b4dd0a2 100644 --- a/cmake/CompilerConfiguration.cmake +++ b/cmake/CompilerConfiguration.cmake @@ -41,7 +41,7 @@ Please open an issue at https://github.com/cp2k/dbcsr/issues with the reported c endif () if (CMAKE_CXX_COMPILER_ID STREQUAL "GNU") - set(CMAKE_CXX_FLAGS_RELEASE "-O3 -g -funroll-loops -Wall") + set(CMAKE_CXX_FLAGS_RELEASE "-O3 -g -funroll-loops -Wall -Werror") set(CMAKE_CXX_FLAGS_COVERAGE "-O0 -g --coverage -Wall -Werror") set(CMAKE_CXX_FLAGS_DEBUG "-O2 -ggdb -Wall -Werror -fsanitize=undefined -fsanitize=address -fsanitize-recover=all") if ((NOT (USE_MPI)) OR (NOT ("${MPI_Fortran_LIBRARY_VERSION_STRING}" MATCHES "Open MPI"))) From 5f75549a5bb9e96fe3bde00ca55b494fdcd50bdb Mon Sep 17 00:00:00 2001 From: Harmen Stoppels Date: Fri, 5 Feb 2021 16:13:40 +0100 Subject: [PATCH 6/7] Revert "no need for these flags on mc partition w/o calls to srun" This reverts commit a6fa6a83b18b5855b28c9bbee6802d8ed635e2b0. --- .ci/daint.cscs.ch/cray.build.sh | 4 ++++ .ci/daint.cscs.ch/gnu.build.sh | 4 ++++ .ci/daint.cscs.ch/intel.build.sh | 4 ++++ .ci/daint.cscs.ch/ocl.build.sh | 4 ++++ 4 files changed, 16 insertions(+) diff --git a/.ci/daint.cscs.ch/cray.build.sh b/.ci/daint.cscs.ch/cray.build.sh index c1647f321a9..82016b666a0 100755 --- a/.ci/daint.cscs.ch/cray.build.sh +++ b/.ci/daint.cscs.ch/cray.build.sh @@ -1,9 +1,13 @@ #!/bin/bash -l #SBATCH --export=ALL +#SBATCH --exclusive #SBATCH --constraint="mc" #SBATCH --partition="cscsci" #SBATCH --nodes=1 +#SBATCH --ntasks-per-node=4 +#SBATCH --cpus-per-task=3 +#SBATCH --ntasks-per-core=1 # 1=no HT, 2=HT set -o errexit set -o nounset diff --git a/.ci/daint.cscs.ch/gnu.build.sh b/.ci/daint.cscs.ch/gnu.build.sh index 8673d7f35a1..76984955c40 100755 --- a/.ci/daint.cscs.ch/gnu.build.sh +++ b/.ci/daint.cscs.ch/gnu.build.sh @@ -1,9 +1,13 @@ #!/bin/bash -l #SBATCH --export=ALL +#SBATCH --exclusive #SBATCH --constraint="mc" #SBATCH --partition="cscsci" #SBATCH --nodes=1 +#SBATCH --ntasks-per-node=4 +#SBATCH --cpus-per-task=3 +#SBATCH --ntasks-per-core=1 # 1=no HT, 2=HT set -o errexit set -o nounset diff --git a/.ci/daint.cscs.ch/intel.build.sh b/.ci/daint.cscs.ch/intel.build.sh index e333596c89f..4a92733d87d 100755 --- a/.ci/daint.cscs.ch/intel.build.sh +++ b/.ci/daint.cscs.ch/intel.build.sh @@ -1,9 +1,13 @@ #!/bin/bash -l #SBATCH --export=ALL +#SBATCH --exclusive #SBATCH --constraint="mc" #SBATCH --partition="cscsci" #SBATCH --nodes=1 +#SBATCH --ntasks-per-node=4 +#SBATCH --cpus-per-task=3 +#SBATCH --ntasks-per-core=1 # 1=no HT, 2=HT set -o errexit set -o nounset diff --git a/.ci/daint.cscs.ch/ocl.build.sh b/.ci/daint.cscs.ch/ocl.build.sh index ed4e088602d..52c153ee929 100755 --- a/.ci/daint.cscs.ch/ocl.build.sh +++ b/.ci/daint.cscs.ch/ocl.build.sh @@ -1,9 +1,13 @@ #!/bin/bash -l #SBATCH --export=ALL +#SBATCH --exclusive #SBATCH --constraint="mc" #SBATCH --partition="cscsci" #SBATCH --nodes=1 +#SBATCH --ntasks-per-node=4 +#SBATCH --cpus-per-task=3 +#SBATCH --ntasks-per-core=1 # 1=no HT, 2=HT set -o errexit set -o nounset From 9e210b650fe2e634b0f7091eb014f712306f37e4 Mon Sep 17 00:00:00 2001 From: Harmen Stoppels Date: Fri, 5 Feb 2021 16:15:24 +0100 Subject: [PATCH 7/7] Make the build flags similar to the run flags again --- .ci/daint.cscs.ch/cray.build.sh | 3 +-- .ci/daint.cscs.ch/gnu.build.sh | 3 +-- .ci/daint.cscs.ch/intel.build.sh | 3 +-- .ci/daint.cscs.ch/ocl.build.sh | 3 +-- 4 files changed, 4 insertions(+), 8 deletions(-) diff --git a/.ci/daint.cscs.ch/cray.build.sh b/.ci/daint.cscs.ch/cray.build.sh index 82016b666a0..bbc3d113988 100755 --- a/.ci/daint.cscs.ch/cray.build.sh +++ b/.ci/daint.cscs.ch/cray.build.sh @@ -1,13 +1,12 @@ #!/bin/bash -l #SBATCH --export=ALL -#SBATCH --exclusive #SBATCH --constraint="mc" #SBATCH --partition="cscsci" #SBATCH --nodes=1 #SBATCH --ntasks-per-node=4 #SBATCH --cpus-per-task=3 -#SBATCH --ntasks-per-core=1 # 1=no HT, 2=HT +#SBATCH --hint=nomultithread set -o errexit set -o nounset diff --git a/.ci/daint.cscs.ch/gnu.build.sh b/.ci/daint.cscs.ch/gnu.build.sh index 76984955c40..4683e776836 100755 --- a/.ci/daint.cscs.ch/gnu.build.sh +++ b/.ci/daint.cscs.ch/gnu.build.sh @@ -1,13 +1,12 @@ #!/bin/bash -l #SBATCH --export=ALL -#SBATCH --exclusive #SBATCH --constraint="mc" #SBATCH --partition="cscsci" #SBATCH --nodes=1 #SBATCH --ntasks-per-node=4 #SBATCH --cpus-per-task=3 -#SBATCH --ntasks-per-core=1 # 1=no HT, 2=HT +#SBATCH --hint=nomultithread set -o errexit set -o nounset diff --git a/.ci/daint.cscs.ch/intel.build.sh b/.ci/daint.cscs.ch/intel.build.sh index 4a92733d87d..4b33b585269 100755 --- a/.ci/daint.cscs.ch/intel.build.sh +++ b/.ci/daint.cscs.ch/intel.build.sh @@ -1,13 +1,12 @@ #!/bin/bash -l #SBATCH --export=ALL -#SBATCH --exclusive #SBATCH --constraint="mc" #SBATCH --partition="cscsci" #SBATCH --nodes=1 #SBATCH --ntasks-per-node=4 #SBATCH --cpus-per-task=3 -#SBATCH --ntasks-per-core=1 # 1=no HT, 2=HT +#SBATCH --hint=nomultithread set -o errexit set -o nounset diff --git a/.ci/daint.cscs.ch/ocl.build.sh b/.ci/daint.cscs.ch/ocl.build.sh index 52c153ee929..c846815ff1f 100755 --- a/.ci/daint.cscs.ch/ocl.build.sh +++ b/.ci/daint.cscs.ch/ocl.build.sh @@ -1,13 +1,12 @@ #!/bin/bash -l #SBATCH --export=ALL -#SBATCH --exclusive #SBATCH --constraint="mc" #SBATCH --partition="cscsci" #SBATCH --nodes=1 #SBATCH --ntasks-per-node=4 #SBATCH --cpus-per-task=3 -#SBATCH --ntasks-per-core=1 # 1=no HT, 2=HT +#SBATCH --hint=nomultithread set -o errexit set -o nounset