Difference between revisions of "CP2K compiling with Intel"
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make -j 16 | make -j 16 | ||
make check | make check | ||
| + | |||
| + | ==== Libint2 ==== | ||
| + | <blockquote style="background-color: orange; border: solid thin grey;"> | ||
| + | Reduced optimization to "-O2" | ||
| + | </blockquote> | ||
| + | wget https://github.com/cp2k/libint-cp2k/releases/download/v2.6.0/libint-v2.6.0-cp2k-lmax-4.tgz | ||
| + | wget https://github.com/cp2k/libint-cp2k/releases/download/v2.6.0/libint-v2.6.0-cp2k-lmax-5.tgz | ||
| + | wget https://github.com/cp2k/libint-cp2k/releases/download/v2.6.0/libint-v2.6.0-cp2k-lmax-6.tgz | ||
| + | wget https://github.com/cp2k/libint-cp2k/releases/download/v2.6.0/libint-v2.6.0-cp2k-lmax-7.tgz | ||
| + | tar -zxvf libint-v2.6.0-cp2k-lmax-5.tgz | ||
| + | cd libint-v2.6.0-cp2k-lmax-5 | ||
| + | ./configure --prefix=/usr/local CC=gcc FC=gfortran CXX=g++ FCFLAGS="'''-O2''' -xcore-avx2" CFLAGS="'''-O2''' -xcore-avx2" CXXFLAGS="'''-O2''' -xcore-avx2" --enable-shared=no --enable-fortran --with-cxx-optflags="'''-O2''' -xcore-avx2" | ||
| + | make -j 24 | ||
| + | make -j 24 check | ||
| + | <blockquote style="background-color: lightgrey; border: solid thin grey;"> | ||
| + | all tests ok | ||
| + | </blockquote> | ||
| + | sudo make install | ||
| + | sudo make install_fortran | ||
| + | |||
| + | <blockquote style="background-color: lightgrey; border: solid thin grey;"> | ||
| + | /usr/local/lib/libint2 | ||
| + | </blockquote> | ||
Revision as of 19:08, 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
Libint2
Reduced optimization to "-O2"
wget https://github.com/cp2k/libint-cp2k/releases/download/v2.6.0/libint-v2.6.0-cp2k-lmax-4.tgz wget https://github.com/cp2k/libint-cp2k/releases/download/v2.6.0/libint-v2.6.0-cp2k-lmax-5.tgz wget https://github.com/cp2k/libint-cp2k/releases/download/v2.6.0/libint-v2.6.0-cp2k-lmax-6.tgz wget https://github.com/cp2k/libint-cp2k/releases/download/v2.6.0/libint-v2.6.0-cp2k-lmax-7.tgz tar -zxvf libint-v2.6.0-cp2k-lmax-5.tgz cd libint-v2.6.0-cp2k-lmax-5 ./configure --prefix=/usr/local CC=gcc FC=gfortran CXX=g++ FCFLAGS="-O2 -xcore-avx2" CFLAGS="-O2 -xcore-avx2" CXXFLAGS="-O2 -xcore-avx2" --enable-shared=no --enable-fortran --with-cxx-optflags="-O2 -xcore-avx2" make -j 24 make -j 24 check
all tests ok
sudo make install sudo make install_fortran
/usr/local/lib/libint2
