From 3a88bc4878cecc820a2d56a70a84e72f0055eb2d Mon Sep 17 00:00:00 2001 From: Matthias Krack Date: Mon, 17 Feb 2025 12:00:10 +0100 Subject: [PATCH] Switch version from ssmp to psmp for AiiDA and ASE tests Reason: cp2k.ssmp and cp2k.sdbg binaries are no longer built with MPI --- tools/docker/scripts/test_aiida.sh | 4 ++-- tools/docker/scripts/test_ase.sh | 6 +++--- 2 files changed, 5 insertions(+), 5 deletions(-) diff --git a/tools/docker/scripts/test_aiida.sh b/tools/docker/scripts/test_aiida.sh index 63b62e91fb..47eb1720f9 100755 --- a/tools/docker/scripts/test_aiida.sh +++ b/tools/docker/scripts/test_aiida.sh @@ -3,7 +3,7 @@ # author: Ole Schuett # Compile CP2K. -./build_cp2k_cmake.sh "toolchain" "ssmp" || exit 0 +./build_cp2k_cmake.sh "toolchain" "psmp" || exit 0 echo -e "\n========== Installing Dependencies ==========" apt-get update -qq @@ -71,7 +71,7 @@ cat > /opt/conda/envs/cp2k/bin/cp2k.psmp << EndOfMessage #!/bin/bash -e export OMP_NUM_THREADS=2 source /opt/cp2k-toolchain/install/setup -/opt/cp2k/build/bin/cp2k.ssmp "\$@" +/opt/cp2k/build/bin/cp2k.psmp "\$@" EndOfMessage chmod +x /opt/conda/envs/cp2k/bin/cp2k.psmp diff --git a/tools/docker/scripts/test_ase.sh b/tools/docker/scripts/test_ase.sh index b278ad6ec6..cdfb01ee13 100755 --- a/tools/docker/scripts/test_ase.sh +++ b/tools/docker/scripts/test_ase.sh @@ -3,7 +3,7 @@ # author: Ole Schuett # Compile CP2K. -./build_cp2k_cmake.sh "toolchain" "ssmp" || exit 0 +./build_cp2k_cmake.sh "toolchain" "psmp" || exit 0 # Fake installation of data files. mkdir -p ./share/cp2k @@ -13,7 +13,7 @@ cat > /usr/bin/cp2k_shell << EndOfMessage #!/bin/bash -e export OMP_NUM_THREADS=1 source /opt/cp2k-toolchain/install/setup -/opt/cp2k/build/bin/cp2k.ssmp --shell "\$@" +/opt/cp2k/build/bin/cp2k.psmp --shell "\$@" EndOfMessage chmod +x /usr/bin/cp2k_shell @@ -23,7 +23,7 @@ cat > /usr/bin/cp2k << EndOfMessage #!/bin/bash -e export OMP_NUM_THREADS=1 source /opt/cp2k-toolchain/install/setup -/opt/cp2k/build/bin/cp2k.ssmp "\$@" +/opt/cp2k/build/bin/cp2k.psmp "\$@" EndOfMessage chmod +x /usr/bin/cp2k