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openmx3.7 error
Date: 2016/08/25 21:31
Name: zahra   <talebi_z2011@yahoo.com>

hi every body
I am a new user and I am triing to instal openmx on my linux centos 7
I did edit the make file for openmx3.7 as I will paste here, but I gor error. I don`t know that I need some extra library or what. please help me
this is the edited makefile

CC = mpicc -fopenmp -O3 -I/opt/intel/mkl/include/fftw -I/opt/intel/mkl/examples/blas -I/opt/intel/mkl/examples/lapack -I/opt/intel/mkl/include
FC = mpif90 -fopenmp -O3 -I/opt/intel/mkl/examples/blas -I/opt/intel/mkl/examples/lapack -I/opt/intel/mkl/include -I/opt/intel/composer_xe_2013.1.117/Samples/en_US/Fortran/
LIB = -L/opt/intel/mkl/include/fftw -L/opt/intel/mkl/examples/blas -L/opt/intel/mkl/examples/lapack -L/home/zahra/mpich-3.1.3/lib -L/home/zahra/mpich-install/lib -L/home/zahra/Setup/openmx3.7/source -L/home/zahra/Setup/openmx3.7/source/patch3.7.10 -L/opt/intel/mkl/include -L/home/zahra/mpich-install/lib -L/opt/intel/composer_xe_2013.1.117/mkl/lib/ia32 -L/opt/intel/composer_xe_2013.1.117/mkl/lib/intel64 -L/home/zahra/mpich-install/lib -lfftw3 -llapack -lblas -lgfortran -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lpthread -lgfortran -lg2c -static -lmpi_f77 -lmpi_f90 -lifcore


there are the errores

/usr/bin/ld: cannot find -lgfortran
/usr/bin/ld: skipping incompatible /opt/intel/composer_xe_2013.1.117/mkl/lib/ia32/libmkl_intel_thread.a when searching for -lmkl_intel_thread
/usr/bin/ld: skipping incompatible /opt/intel/composer_xe_2013.1.117/mkl/lib/ia32/libmkl_core.a when searching for -lmkl_core
/usr/bin/ld: cannot find -lpthread
/usr/bin/ld: cannot find -lgfortran
/usr/bin/ld: cannot find -lg2c
/usr/bin/ld: cannot find -lmpi_f77
/usr/bin/ld: cannot find -lmpi_f90
/usr/bin/ld: cannot find -lifcore
/usr/bin/ld: cannot find -lm
/usr/bin/ld: cannot find -lpthread
/usr/bin/ld: cannot find -lc
collect2: error: ld returned 1 exit status
make: *** [openmx] Error 1
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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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