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qe [2020/03/06 22:48]
root
qe [2020/03/06 22:49]
root
Line 12: Line 12:
 FFT_LIBS="-L${MKL_ROOT}/interfaces/fftw3xf -lfftw3xf_intel"  \ FFT_LIBS="-L${MKL_ROOT}/interfaces/fftw3xf -lfftw3xf_intel"  \
 FCFLAGS="-O3 -xHOST -axsse4.2,AVX,CORE-AVX512 -assume byterecl" \ FCFLAGS="-O3 -xHOST -axsse4.2,AVX,CORE-AVX512 -assume byterecl" \
-CCFLAGS="-O3 -xHOST -axsse4.2,AVX,CORE-AVX512 -assume bytrerecl -D__INTEL -D__GNUC__ -D__FFTW3 -D__MPI -D__PARA -D__SCALAPACK"  \+CCFLAGS="-O3 -xHOST -axsse4.2,AVX,CORE-AVX512 -assume bytrerecl 
 +-D__INTEL -D__GNUC__ -D__FFTW3 -D__MPI -D__PARA -D__SCALAPACK"  \
 --with-hdf5=/share/apps/hdf5/1.10.5/intel/impi  \ --with-hdf5=/share/apps/hdf5/1.10.5/intel/impi  \
---with-scalapack=intel --enable-openmp --enable-parallel --prefix=/share/apps/espresso/espresso-6.5-intel-impi-mkl+--with-scalapack=intel --enable-openmp --enable-parallel 
 +--prefix=/share/apps/espresso/espresso-6.5-intel-impi-mkl
 make pw make pw
 make all make all
qe.txt · Last modified: 2020/03/06 23:22 by root