From 887bb64ae071ff97e6270f067464aedf96b9e7c5 Mon Sep 17 00:00:00 2001 From: Matthias Krack Date: Fri, 25 Feb 2022 19:16:44 +0100 Subject: [PATCH] Rename arch file and make it sourceable --- ...l.psmp => Linux-intel-x86_64-minimal.psmp} | 26 ++++++++++++++----- 1 file changed, 20 insertions(+), 6 deletions(-) rename arch/{Linux-x86-64-intel-minimal.psmp => Linux-intel-x86_64-minimal.psmp} (61%) diff --git a/arch/Linux-x86-64-intel-minimal.psmp b/arch/Linux-intel-x86_64-minimal.psmp similarity index 61% rename from arch/Linux-x86-64-intel-minimal.psmp rename to arch/Linux-intel-x86_64-minimal.psmp index e483dc84ef..391ae8f838 100644 --- a/arch/Linux-x86-64-intel-minimal.psmp +++ b/arch/Linux-intel-x86_64-minimal.psmp @@ -1,9 +1,23 @@ -# Tested with: Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 18.0.5.274 Build 20180823 -# Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.1.1.217 Build 20200306 -# Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.1.3.304 Build 20200925 -# Intel(R) Fortran Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.1 Build 20201112 -# Intel MPI, MKL -# Author: Matthias Krack (matthias.krack@psi.ch, PSI, September 2021) +#!/bin/bash +# +# CP2K (Intel/MKL x86_64) minimal arch file for Linux clusters +# +# Tested with: Intel(R) Fortran Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.5.0 + +# Usage: Source this arch file after the module for Intel/MKL has been loaded if needed. +# +# Author: Matthias Krack (25.02.2022) +# +# \ + if [[ "${0}" == "${BASH_SOURCE}" ]]; then \ + echo "ERROR: Script ${0##*/} must be sourced"; \ + echo "Usage: source ${0##*/}"; \ + exit 1; \ + fi; \ + this_file=${BASH_SOURCE##*/}; \ + make -j ARCH=${this_file%%.*} VERSION=${this_file##*.} realclean; \ + make -j ARCH=${this_file%%.*} VERSION=${this_file##*.}; \ + return CC = mpiicc FC = mpiifort