diff --git a/make_cp2k.sh b/make_cp2k.sh index 8fb206069f..1f6d047815 100755 --- a/make_cp2k.sh +++ b/make_cp2k.sh @@ -683,9 +683,9 @@ if [[ ! -d "${SPACK_BUILD_PATH}" ]]; then fi # Disable PEXSI because of an issue with SuperLU using recent GCC versions - if [[ "${CP2K_VERSION}" == "psmp"* ]] && ((GCC_VERSION_NEWEST > 14)); then + if ((CUDA_ARCH > 0)) || ((GCC_VERSION_NEWEST > 14)); then sed -E -e '/\s*-\s+"pexsi@/ s/^ /#/' -i "${CP2K_CONFIG_FILE}" - echo "INFO: PEXSI has been disabled because of an issue with SuperLU using GCC 15 or newer" + echo "INFO: PEXSI has been disabled because CUDA or GCC 15 is used" fi # Create CP2K environment if needed