Re: openmx3.7 error ( No.1 ) |
- Date: 2016/08/25 23:10
- Name: Riemann <riemann.derakhshan@yandex.com>
- Dear Zahra,
Herewith I've attached my change in original make file for compiling OpenMX, you can use it as a tutorial.
Sincerely Yours Riemann
MPI_ROOT="/opt/openmpi" FFT_ROOT="/usr/local" FFT_ROOT_INC="/usr/local" MKL_ROOT="/opt/intel/IC/composer_xe_2011_sp1.6.233/mkl"
CC = ${MPI_ROOT}/bin/mpicc -openmp -O3 -xHOST -I${FFT_ROOT_INC}/include -I${MKL_ROOT}/include -I${MPI_ROOT}/include FC = ${MPI_ROOT}/bin/mpif90 -openmp -O3 -xHOST -I${FFT_ROOT_INC}/include -I${MKL_ROOT}/include -I${MPI_ROOT}/include LIB = -L${MPI_ROOT}/lib -lmpi_f77 -lmpi_f90 -L${FFT_ROOT}/lib -lfftw3f \ -L${MKL_ROOT}/lib/intel64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_intel_thread -L/opt/intel/lib/intel64 -limf -lm -L/opt/intel/lib/intel64 -lifcore
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