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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 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 $(MKLROOT)/lib/intel64/libmkl_core.a -Wl,--end-group -L/opt/intel/composerxe-2011.3.174/compiler/lib/intel64 -lifcore -limf -L/opt/download/openmpi/openmpi-1.8.2/ompi/mpi/fortran/base/.libs -lmpi_fortran_base But, the following error message is coming during installation. openmx.o: In function `main': openmx.c:(.text+0x0): multiple definition of `main' /opt/intel/composerxe-2011.3.174/compiler/lib/intel64/for_main.o:/export/users/nbtester/efi2linux_nightly/branch-12_0/20110310_010000/libdev/frtl/src/libfor/for_main.c:(.text+0x0): first defined here ld: Warning: size of symbol `main' changed from 80 in /opt/intel/composerxe-2011.3.174/compiler/lib/intel64/for_main.o to 4512 in openmx.o /opt/intel/composerxe-2011.3.174/compiler/lib/intel64/for_main.o: In function `main': /export/users/nbtester/efi2linux_nightly/branch-12_0/20110310_010000/libdev/frtl/src/libfor/for_main.c:(.text+0x38): undefined reference to `MAIN__' make: *** [openmx] Error 1 Can any one please help me to resolve the problem? Thank you. Re: openmx3.7 installation error ( No.3 ) Date: 2015/09/21 17:34 Name: Hirak Kumar Chandra  <hirak@ntu.edu.tw> Dear all, I have set the follwing in my makefile MKLROOT = /opt/intel/composerxe-2011.3.174/mkl CC = /opt/openmpi-1.8.2/bin/mpicc -openmp -O2 -I/home/hirak/fftw-3.3.4/api -I/$(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. 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. 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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