Difference between revisions of "CP2K compiling with Intel"
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wget http://gnu.askapache.com/gsl/gsl-2.6.tar.gz | wget http://gnu.askapache.com/gsl/gsl-2.6.tar.gz | ||
tar -zxvf gsl-2.6.tar.gz | tar -zxvf gsl-2.6.tar.gz | ||
| − | ./configure --prefix=/usr/local CC=icc FC=ifort CXX=icpc FCFLAGS="'''- | + | ./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 -j 16 | ||
make check | make check | ||
Revision as of 20:02, 25 May 2020
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
