CP2K compiling with Intel
Compiling
Compiling subpackages
Serial
preparation
source /opt/intel/compilers_and_libraries_2020/linux/bin/compilervars.sh intel64 source /opt/intel/compilers_and_libraries_2020/linux/mkl/bin/mklvars.sh intel64 export CC=icc export CXX=icpc export F77=ifort export FC=ifort
==== Gsl ====
Reduced optimization to "-O1", but with intel-compiler still fails LinAlg-unit test
wget http://gnu.askapache.com/gsl/gsl-2.6.tar.gz tar -zxvf gsl-2.6.tar.gz ./configure --prefix=/usr/local CC=icc FC=ifort CXX=icpc FCFLAGS="-O1 -xcore-avx2" CFLAGS="-O1 -xcore-avx2" CXXFLAGS="-O1 -xcore-avx2" --enable-shared=no make -j 16 make check