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openmx3.7 installation error
Date: 2015/03/12 18:30
Name: Haider Abbas   <haiderabbasphy@gmail.com>


Dear all,
I am trying to install openmx3.7 on my 64 bit ubuntu machine. I have tried a lot with different
make file but there is no success. below is some examples. I have installed mpi, openmpi, ffttw,
acml on my machine.
could anybody help me to overcome this problem.

with regards

Haider Abbas




Makefile

CC=mpicc -O3 -ffast-math -fopenmp -I/usr/local/fftw3/include -I/usr/local/acml/gnu64/include
FC=mpif90 -O3 -ffast-math -fopenmp -I/usr/local/acml/gnu64/include
LIB= -L/usr/local/fftw3/lib -lfftw3 /opt/acml5.3.1/gfortran64_int64/lib/libacml.a -L/usr/lib/gcc/x86_64-linux-gnu/4.8 -lgfortran

Then error

solve_evp_complex.f90:(.text+0x343): undefined reference to `mpi_wtime_'
solve_evp_complex.f90:(.text+0x374): undefined reference to `mpi_wtime_'
solve_evp_complex.o:solve_evp_complex.f90:(.text+0x42a): more undefined references to `mpi_wtime_' follow
collect2: error: ld returned 1 exit status
make: *** [openmx] Error 1
root@lion-ThinkCentre-E73:~/openmx3.7/source#


makefile

CC = mpicc -Dnoomp -O3 -I/usr/local/include
FC = mpif90 -Dnoomp -O3 -I/usr/local/include
LIB = -L/usr/local/lib -lfftw3 -llapack -lblas -gfortran -static

error

/usr/bin/ld: cannot find -lmpi
collect2: error: ld returned 1 exit status
make: *** [openmx] Error 1

make file

CC = mpicc -openmp -O3 -I/usr/local/include
FC = mpif90 -openmp -O3 -I/usr/local/include
LIB = -L/usr/local/lib -lfftw3 -llapack -lblas -gfortran -static

error

/usr/bin/ld: cannot find -lmpi
collect2: error: ld returned 1 exit status
make: *** [openmx] Error 1
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Re: openmx3.7 installation error ( No.1 )
Date: 2015/03/25 01:24
Name: sungwoojang



Hi I see your makefile and I think the problem is the empty of MPI library and MPI library path.
The below is example and the mathlib can be the atlas or acml or openblas or mkl and etcs.
In example, the MPI library is specified by "-lmpi_f77 -lmpi_f90" and can be different at openmpi version.

The "/openmpi_path/lib" path of MPI library is different at some Linux OS like belows.

/openmpi_path/lib or openmpi_path/lib64


<example with openmpi 1.6.x version>
LIB = -L/fftw_path/lib -lfftw3 -L/openmpi_path/lib -I/mathlib/include -lmathlib -L/openmpi_path/lib -lmpi_f77 -lmpi_f90 -lgfortran



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Re: openmx3.7 installation error ( No.2 )
Date: 2015/09/21 17:27
Name: Hirak Kumar Chandra  <hirak@ntu.edu.tw>

I have set the follwing in my makefile

MKLROOT = /opt/intel/composerxe-2011.3.174/mkl
CC = /opt/openmpi-1.8.2/bin/mpicc -openmp -O2 -I/home/hirak/fftw-3.3.4/api -I/$(MKLROOT)/include
FC = /opt/openmpi-1.8.2/bin/mpif90 -openmp -O2 -I/home/hirak/fftw-3.3.4/api
LIB = /home/hirak/fftw-3.3.4/.libs/libfftw3.a -L$(MKLROOT)/lib/intel64 -Wl,--start-group $(MKLROOT)/lib/intel64/libmkl_lapack95_lp64.a $(MKLROOT)/lib/intel64/libmkl_intel_lp64.a $(MKLROOT)/lib/intel64/libmkl_intel_thread.a $(MKLROOT)/lib/intel64/libmkl_core.a -Wl,--end-group -L/opt/intel/composerxe-2011.3.174/compiler/lib/intel64 -lifcore -limf -L/opt/download/openmpi/openmpi-1.8.2/ompi/mpi/fortran/base/.libs -lmpi_fortran_base

But, the following error message is coming during installation.

openmx.o: In function `main':
openmx.c:(.text+0x0): multiple definition of `main'
/opt/intel/composerxe-2011.3.174/compiler/lib/intel64/for_main.o:/export/users/nbtester/efi2linux_nightly/branch-12_0/20110310_010000/libdev/frtl/src/libfor/for_main.c:(.text+0x0): first defined here
ld: Warning: size of symbol `main' changed from 80 in /opt/intel/composerxe-2011.3.174/compiler/lib/intel64/for_main.o to 4512 in openmx.o
/opt/intel/composerxe-2011.3.174/compiler/lib/intel64/for_main.o: In function `main':
/export/users/nbtester/efi2linux_nightly/branch-12_0/20110310_010000/libdev/frtl/src/libfor/for_main.c:(.text+0x38): undefined reference to `MAIN__'
make: *** [openmx] Error 1

Can any one please help me to resolve the problem? Thank you.
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Re: openmx3.7 installation error ( No.3 )
Date: 2015/09/21 17:34
Name: Hirak Kumar Chandra  <hirak@ntu.edu.tw>

Dear all,
I have set the follwing in my makefile

MKLROOT = /opt/intel/composerxe-2011.3.174/mkl
CC = /opt/openmpi-1.8.2/bin/mpicc -openmp -O2 -I/home/hirak/fftw-3.3.4/api -I/$(MKLROOT)/include
FC = /opt/openmpi-1.8.2/bin/mpif90 -openmp -O2 -I/home/hirak/fftw-3.3.4/api
LIB = /home/hirak/fftw-3.3.4/.libs/libfftw3.a -L$(MKLROOT)/lib/intel64 -Wl,--start-group $(MKLROOT)/lib/intel64/libmkl_lapack95_lp64.a $(MKLROOT)/lib/intel64/libmkl_intel_lp64.a $(MKLROOT)/lib/intel64/libmkl_intel_thread.a $(MKLROOT)/lib/intel64/libmkl_core.a -Wl,--end-group -L/opt/intel/composerxe-2011.3.174/compiler/lib/intel64 -lifcore -limf -L/opt/download/openmpi/openmpi-1.8.2/ompi/mpi/fortran/base/.libs -lmpi_fortran_base

But, the following error message is coming during installation.

openmx.o: In function `main':
openmx.c:(.text+0x0): multiple definition of `main'
/opt/intel/composerxe-2011.3.174/compiler/lib/intel64/for_main.o:/export/users/nbtester/efi2linux_nightly/branch-12_0/20110310_010000/libdev/frtl/src/libfor/for_main.c:(.text+0x0): first defined here
ld: Warning: size of symbol `main' changed from 80 in /opt/intel/composerxe-2011.3.174/compiler/lib/intel64/for_main.o to 4512 in openmx.o
/opt/intel/composerxe-2011.3.174/compiler/lib/intel64/for_main.o: In function `main':
/export/users/nbtester/efi2linux_nightly/branch-12_0/20110310_010000/libdev/frtl/src/libfor/for_main.c:(.text+0x38): undefined reference to `MAIN__'
make: *** [openmx] Error 1

Can any one please help me to resolve the problem? Thank you.
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Re: openmx3.7 installation error ( No.4 )
Date: 2015/09/28 00:30
Name: pangrui  <pangr@sustc.edu.cn>

Dear Hirak
I suggest you to switch back to openmpi-1.6.5, I do not find how to link fortran77 lib in the latest version, but in 1.6.5 and earlier version , the following worked:

MKLROOT = /public/software/compiler/intel/composer_xe_2013_sp1.0.080/mkl
CC = /public/software/mpi/openmpi/1.6.5/intel/bin/mpicc -openmp -O3 -I/public/home/shixq/VASP/fftw-3.3.4/fftw/include -I/public/Soft_Install/Intel/icc/composer_xe_2013_sp
1/include -I/usr/local/include
FC = /public/software/mpi/openmpi/1.6.5/intel/bin/mpif90 -fopenmp -O3 -I/usr/local/include -I/public/home/shixq/VASP/fftw-3.3.4/fftw/include -I/public/Soft_Install/Intel/i
cc/composer_xe_2013_sp1/include -heap-arrays 64
LIB = -L/usr/local/lib -L/usr/local/lib ${MKLROOT}/lib/intel64/libmkl_scalapack_lp64.a -Wl,--start-group ${MKLROOT}/lib/intel64/libmkl_blacs_openmpi_lp64.a ${MKLROOT}/lib/i
ntel64/libmkl_cdft_core.a ${MKLROOT}/lib/intel64/libmkl_intel_lp64.a ${MKLROOT}/lib/intel64/libmkl_core.a ${MKLROOT}/lib/intel64/libmkl_sequential.a -Wl,--end-group -lpthrea
d -lm -lifcore -L/public/software/mpi/openmpi/1.6.5/intel/lib -lmpi_f77 -lmpi_f90

good luck.
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Re: openmx3.7 installation error ( No.5 )
Date: 2015/11/22 00:08
Name: Barati

Hello,

try one of the following:


CC = mpicc -openmp -O3 -I/usr/local/include
FC = mpif90 -openmp -O3 -I/usr/local/include
LIB = -L/usr/local/lib -lfftw3 -llapack -lblas -lg2c -static

or

CC = mpicc -fopenmp -fPIC msse2 -O3 -I/usr/local/include
FC = mpif90 -fopenmp -fPIC msse2 -O3 -I/usr/local/include
LIB = -L/usr/local/lib -lfftw3 -llapack -lblas -lmpi_f77

bests.
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