CP2K compiling with Intel

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Revision as of 19:02, 25 May 2020 by David Dubbeldam (talk | contribs) (Compiling subpackages)
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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