Re: installatin openmx3.9 error ( No.1 ) |
- Date: 2021/03/24 21:01
- Name: Naoya Yamaguchi
- Hi,
You may need to modify CC, FC, and LIB from the default. And, for example, you can refer to http://www.openmx-square.org/forum/patio.cgi?mode=view&no=2653
Regards, Naoya Yamaguchi
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Re: installatin openmx3.9 error ( No.2 ) |
- Date: 2021/03/30 21:58
- Name: Adam <zggzhouyu@163.com>
- Thanks for your guidance and I solve it with this Settings:
MKLROOT = /opt/software/intel/intel2018_u1/compilers_and_libraries_2018.1.163/linux/mkl FFTW = -I/opt/software/intel/intel2018_u1/compilers_and_libraries_2018.1.163/linux/mkl/include/fftw CC = mpiicc -qopenmp -O3 -ip $(FFTW) FC = mpiifort -qopenmp -O3 -ip $(FFTW) LIB= -L${MKLROOT}/lib/intel64 -mkl=parallel -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_intelmpi_lp64 -lgfortran -lmpi -liomp5 -lpthread -lm -ldl -lifcore
Regards, Adam
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Re: installatin openmx3.9 error ( No.3 ) |
- Date: 2021/04/08 01:39
- Name: Mehdi <m.vejdanih@basu.ac.ir>
- Dear developer,
I'm trying to install openmx 3.9 on my laptop with "Intel® Core™ i5 CPU M 480 @ 2.67GHz × 4" processor. I edited Makefile with following CC, FC and LIB:
MKLROOT=/opt/intel/mkl CC = mpicc -O3 -fopenmp -ffast-math FC = mpif90 -O3 -fopenmp -ffast-math LIB= -L${MKLROOT}/lib/intel64 -lscalapack-openmpi -llapack -lblas -lfftw3 -lmpi -lmpi_mpifh -lgfortran
and I got this error:
/usr/bin/ld: cannot find -lmpi_mpifh collect2: error: ld returned 1 exit status make: *** [openmx] Error 1
could you please help me in solving this?
Regards,
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Re: installatin openmx3.9 error ( No.4 ) |
- Date: 2021/04/08 01:55
- Name: Naoya Yamaguchi
- Dear Mehdi,
Can you show the OS you use?
Regards, Naoya Yamaguchi
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Re: installatin openmx3.9 error ( No.5 ) |
- Date: 2021/04/08 17:15
- Name: mehdi <m.vejdanih@basu.ac.ir>
- Dear Naoya,
I am using Ubuntu 14.04 LTS. My laptop OS type is 64-bit.
Thanks, Mehdi Vejdanihemmat
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Re: installatin openmx3.9 error ( No.6 ) |
- Date: 2021/04/08 19:21
- Name: Naoya Yamaguchi
- Dear Mehdi,
You need to install some MPI libraries if there are no such libraries. For example, https://launchpad.net/ubuntu/trusty/+package/libopenmpi-dev
And the following may help you. http://www.openmx-square.org/forum/patio.cgi?mode=view&no=2643
Regards, Naoya Yamaguchi
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Re: installatin openmx3.9 error ( No.7 ) |
- Date: 2021/04/09 04:37
- Name: Mehdi <m.vejdanih@basu.ac.ir>
- Dear Naoya,
“libopenmpi-dev” installed on my system is the newest version and I installed "openmpi-1.6.5" and "l_mpi-rt_p_4.0.3.010" but I still get the error mentioned above.
output of Command "apt list --installed | grep mpi" is shown below:
WARNING: apt does not have a stable CLI interface yet. Use with caution in scripts.
blacs-mpi-test/trusty,now 1.1-31.1ubuntu1 amd64 [installed] compiz/trusty-updates,now 1:0.9.11.3+14.04.20160425-0ubuntu1 all [installed,automatic] compiz-core/trusty-updates,now 1:0.9.11.3+14.04.20160425-0ubuntu1 amd64 [installed,automatic] compiz-gnome/trusty-updates,now 1:0.9.11.3+14.04.20160425-0ubuntu1 amd64 [installed,automatic] compiz-plugins-default/trusty-updates,now 1:0.9.11.3+14.04.20160425-0ubuntu1 amd64 [installed,automatic] gpiv-mpi/trusty,now 0.6.1-2.1 amd64 [installed] gpivtools-mpi/trusty,now 0.6.0-3build1 amd64 [installed] libblacs-mpi-dev/trusty,now 1.1-31.1ubuntu1 amd64 [installed] libblacs-mpi1/trusty,now 1.1-31.1ubuntu1 amd64 [installed,automatic] libboost-mpi-dev/trusty,now 1.54.0.1ubuntu1 amd64 [installed] libboost-mpi-python-dev/trusty,now 1.54.0.1ubuntu1 amd64 [installed] libboost-mpi-python1.54-dev/trusty-updates,now 1.54.0-4ubuntu3.1 amd64 [installed] libboost-mpi-python1.54.0/trusty-updates,now 1.54.0-4ubuntu3.1 amd64 [installed,automatic] libboost-mpi1.54-dev/trusty-updates,now 1.54.0-4ubuntu3.1 amd64 [installed] libboost-mpi1.54.0/trusty-updates,now 1.54.0-4ubuntu3.1 amd64 [installed] libboost-mpi1.55.0/trusty,now 1.55.0-1 amd64 [installed] libcompizconfig0/trusty-updates,now 1:0.9.11.3+14.04.20160425-0ubuntu1 amd64 [installed,automatic] libexempi3/trusty-updates,trusty-security,now 2.2.1-1ubuntu1.1 amd64 [installed,automatic] libfftw3-mpi-dev/trusty,now 3.3.3-2ubuntu2 amd64 [installed] libfftw3-mpi3/trusty,now 3.3.3-2ubuntu2 amd64 [installed] libgfs-mpi-1.3-2/trusty,now 20110329-dfsg.2-1build2 amd64 [installed] libgfs-mpi-dev/trusty,now 20110329-dfsg.2-1build2 amd64 [installed] libgpiv-mpi3/trusty,now 0.6.1-4ubuntu1 amd64 [installed,automatic] libmpich-dev/trusty,now 3.0.4-6ubuntu1 amd64 [installed,automatic] libmpich10/trusty,now 3.0.4-6ubuntu1 amd64 [installed,automatic] libmpikmeans-dev/trusty,now 1.5-1build3 amd64 [installed] libmpikmeans1/trusty,now 1.5-1build3 amd64 [installed,automatic] libmrmpi-dev/trusty,now 1.0~20131122-1build1 amd64 [installed] libmrmpi1/trusty,now 1.0~20131122-1build1 amd64 [installed,automatic] libopenmpi-dev/trusty,now 1.6.5-8 amd64 [installed] libopenmpi1.6/trusty,now 1.6.5-8 amd64 [installed,automatic] libopenmpi1.6-dbg/trusty,now 1.6.5-8 amd64 [installed] libpgapack-mpi1/trusty,now 1.1.1-3 amd64 [installed] libscalapack-mpi-dev/trusty,now 1.8.0-9build1 amd64 [installed] libscalapack-mpi1/trusty,now 1.8.0-9build1 amd64 [installed,automatic] libxmpi4/trusty,now 2.2.3b8-13.1ubuntu4 amd64 [installed,automatic] mothur-mpi/trusty,now 1.31.2+dfsg-2build1 amd64 [installed] mpi-default-bin/trusty,now 1.0.2ubuntu1 amd64 [installed,automatic] mpi-default-dev/trusty,now 1.0.2ubuntu1 amd64 [installed,automatic] mpi-specs/trusty,now 20040719-2 all [installed] mpich/trusty,now 3.0.4-6ubuntu1 amd64 [installed] mpich-doc/trusty,now 3.0.4-6ubuntu1 all [installed] mpich2/trusty,now 3.0.4-6ubuntu1 amd64 [installed] mpich2python/trusty,now 2.9.4-1 amd64 [installed] mrmpi-doc/trusty,now 1.0~20131122-1build1 all [installed] octave-mpi/trusty,now 1.1.1-1build2 amd64 [installed] openmpi-bin/trusty,now 1.6.5-8 amd64 [installed] openmpi-checkpoint/trusty,now 1.6.5-8 amd64 [installed] openmpi-common/trusty,now 1.6.5-8 all [installed,automatic] python-mpi/trusty,now 2.9.4-1 all [installed] python-mpi4py/trusty,now 1.3.1+hg20131106-1build3 amd64 [installed] python-mpi4py-dbg/trusty,now 1.3.1+hg20131106-1build3 amd64 [installed] python-mpi4py-doc/trusty,now 1.3.1+hg20131106-1build3 all [installed] python3-mpi4py/trusty,now 1.3.1+hg20131106-1build3 amd64 [installed] python3-mpi4py-dbg/trusty,now 1.3.1+hg20131106-1build3 amd64 [installed] r-cran-rmpi/trusty,now 0.6-3-1build1 amd64 [installed] regina-normal-mpi/trusty,now 4.95-1build1 amd64 [installed] scalapack-mpi-test/trusty,now 1.8.0-9build1 amd64 [installed] xmpi/trusty,now 2.2.3b8-13.1ubuntu4 amd64 [installed]
I ran the command: sudo apt --purge remove libopenmpi-dev; sudo apt install libopenmpi-dev now, I get this error: /usr/bin/ld: cannot find -lscalapack-openmpi /usr/bin/ld: cannot find -lmpi_mpifh collect2: error: ld returned 1 exit status make: *** [openmx] Error 1
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Re: installatin openmx3.9 error ( No.8 ) |
- Date: 2021/04/09 12:22
- Name: Naoya Yamaguchi
- Dear Mehdi,
Can you try "make" after adding "-L/usr/lib" to the first item of "LIB".
Regards, Naoya Yamaguchi
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Re: installatin openmx3.9 error ( No.9 ) |
- Date: 2021/04/09 14:40
- Name: Mehdi <m.vejdanih@basu.ac.ir>
- Dear Naoya,
I modified "LIB" as you have said. but with:
MKLROOT=/opt/intel/mkl CC = mpicc -O3 -fopenmp -ffast-math FC = mpif90 -O3 -fopenmp -ffast-math LIB= -L${MKLROOT}/lib/intel64 -L/usr/lib -lscalapack-openmpi -llapack -lblas -lfftw3 -lmpi -lmpi_mpifh -lgfortran
after applying "make" command, I still get this error:
/usr/bin/ld: cannot find -lscalapack-openmpi /usr/bin/ld: cannot find -lmpi_mpifh collect2: error: ld returned 1 exit status make: *** [openmx] Error 1
Best regards, Mehdi Vejdanihemmat
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Re: installatin openmx3.9 error ( No.10 ) |
- Date: 2021/04/09 22:18
- Name: Naoya Yamaguchi
- Dear Mehdi,
I can't get a list of files included in some MPI .deb files for trusty, and I don't know where the libraries are. Please show output for the following command. $ ls /usr/lib/libscalapack-openmpi.so
Regards, Naoya Yamaguchi
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Re: installatin openmx3.9 error ( No.11 ) |
- Date: 2021/04/09 22:35
- Name: Mehdi <m.vejdanih@basu.ac.ir>
- Dear Naoya,
output for the following command: $ ls /usr/lib/libscalapack-openmpi.so
ls: cannot access /usr/lib/libscalapack-openmpi.so: No such file or directory
regards, Mehdi Vejdanihemmat
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Re: installatin openmx3.9 error ( No.12 ) |
- Date: 2021/04/10 02:07
- Name: Naoya Yamaguchi
- Dear Mehdi,
Please try to reinstall "libscalapack-mpi-dev". And, you may use "-lmpi_f77" instead of "-lmpi_mpifh".
Regards, Naoya Yamaguchi
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Re: installatin openmx3.9 error ( No.13 ) |
- Date: 2021/04/10 03:15
- Name: Mehdi <m.vejdanih@basu.ac.ir>
- Dear Naoya,
I reinstalled "libscalapack-mpi-dev" and used "-lmpi_f77" instead of "-lmpi_mpifh" in makefile. Now I get this error:
/usr/bin/ld: Cluster_DFT_Col.o: undefined reference to symbol 'Cblacs_barrier' //usr/lib/libblacs-openmpi.so.1: error adding symbols: DSO missing from command line collect2: error: ld returned 1 exit status make: *** [openmx] Error 1
Regards, Mehdi Vejdanihemmat
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Re: installatin openmx3.9 error ( No.14 ) |
- Date: 2021/04/10 12:58
- Name: Naoya Yamaguchi
- Dear Mehdi,
Please try to replace "-lscalapack-openmpi" with "-lscalapack-openmpi -lblacs-openmpi". And if it doesn't solve the error, please also reinstall "libblacs-mpi-dev".
Regards, Naoya Yamaguchi
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Re: installatin openmx3.9 error ( No.15 ) |
- Date: 2021/04/10 15:52
- Name: Mehdi <m.vejdanih@basu.ac.ir>
- Dear Naoya,
I replaced "-lscalapack-openmpi" with "-lscalapack-openmpi -lblacs-openmpi" then I got:
elpa2_compute_real.F90:(.text+0x5ea6): undefined reference to `mpi_waitalli_' elpa2_compute_real.o: In function `__elpa2_compute_real_MOD_trans_ev_tridi_to_band_real_double': elpa2_compute_real.F90:(.text+0xaa01): undefined reference to `mpi_waitalli_' elpa2_compute_real.o: In function `__elpa2_compute_real_MOD_tridiag_band_real_double': elpa2_compute_real.F90:(.text+0x11490): undefined reference to `mpi_waitalli_' elpa2_compute_real.F90:(.text+0x114b2): undefined reference to `mpi_waitalli_' elpa2_compute_complex.o: In function `__elpa2_compute_complex_MOD_trans_ev_tridi_to_band_complex_double': elpa2_compute_complex.F90:(.text+0x817e): undefined reference to `mpi_waitalli_' elpa2_compute_complex.o:elpa2_compute_complex.F90:(.text+0xf6f5): more undefined references to `mpi_waitalli_' follow collect2: error: ld returned 1 exit status make: *** [openmx] Error 1
I reinstalled libblacs-mpi-dev then I got:
elpa2_compute_real.F90:(.text+0x5ea6): undefined reference to `mpi_waitalli_' elpa2_compute_real.o: In function `__elpa2_compute_real_MOD_trans_ev_tridi_to_band_real_double': elpa2_compute_real.F90:(.text+0xaa01): undefined reference to `mpi_waitalli_' elpa2_compute_real.o: In function `__elpa2_compute_real_MOD_tridiag_band_real_double': elpa2_compute_real.F90:(.text+0x11490): undefined reference to `mpi_waitalli_' elpa2_compute_real.F90:(.text+0x114b2): undefined reference to `mpi_waitalli_' elpa2_compute_complex.o: In function `__elpa2_compute_complex_MOD_trans_ev_tridi_to_band_complex_double': elpa2_compute_complex.F90:(.text+0x817e): undefined reference to `mpi_waitalli_' elpa2_compute_complex.o:elpa2_compute_complex.F90:(.text+0xf6f5): more undefined references to `mpi_waitalli_' follow collect2: error: ld returned 1 exit status make: *** [openmx] Error 1
my makefile CC, FC and LIB:
MKLROOT=/opt/intel/mkl CC = mpicc -O3 -fopenmp -ffast-math FC = mpif90 -O3 -fopenmp -ffast-math LIB= -L${MKLROOT}/lib/intel64 -L/usr/lib -lscalapack-openmpi -lblacs-openmpi -llapack -lblas -lfftw3 -lmpi -lmpi_f77 -lgfortran
Regards, Mehdi Vejdanihemmat
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Re: installatin openmx3.9 error ( No.16 ) |
- Date: 2021/04/10 20:26
- Name: Naoya Yamaguchi
- Dear Mehdi,
Next, please replace "-lmpi_f77" with "-lmpi_f90 -lmpi_f77".
Regards, Naoya Yamaguchi
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Re: installatin openmx3.9 error ( No.17 ) |
- Date: 2021/04/10 21:27
- Name: Mehdi <m.vejdanih@basu.ac.ir>
- Dear Naoya,
end of output: "cp openmx ../work/openmx"
I love you man! OpenMX 3.9 was installed on my system. Thank you very much for your kind responses. I wish you all the best.
Best regards, Mehdi Vejdanihemmat
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Re: installatin openmx3.9 error ( No.18 ) |
- Date: 2021/04/15 18:25
- Name: Alex <soutedelan_m2008@yahoo.com>
- Dear Developer,
I tried to install OpenMX 3.9 on ubuntu 20.04 LTS. I used the following CC, FC and LIB for my makefile:
MKLROOT=/opt/intel/mkl CC = mpicc -O3 -fopenmp -ffast-math FC = mpif90 -O3 -fopenmp -ffast-math LIB= -L${MKLROOT}/lib/intel64 -L/usr/lib -lscalapack-openmpi -lblacs-openmpi -llapack -lblas -lfftw3 -lmpi -lmpi_f90 -lmpi_f77 -lgfortran
but I got the following end of output:
/usr/bin/ld: cannot find -lblacs-openmpi /usr/bin/ld: cannot find -llapack /usr/bin/ld: cannot find -lblas /usr/bin/ld: cannot find -lmpi_f90 /usr/bin/ld: cannot find -lmpi_f77 collect2: error: ld returned 1 exit status make: *** [makefile:211: openmx] Error 1
Could you please help me in that?
Best rigards, Alex
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Re: installatin openmx3.9 error ( No.19 ) |
- Date: 2021/04/15 20:15
- Name: Naoya Yamaguchi
- Dear Alex,
You need to install required libraries. And, please try to install "libscalapack-openmpi-dev". https://packages.ubuntu.com/en/focal/libscalapack-openmpi-dev
And, please also remove "-lblacs-openmpi".
Regards, Naoya Yamaguchi
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Re: installatin openmx3.9 error ( No.20 ) |
- Date: 2021/04/15 23:10
- Name: Alex <soutedelan_m2008@yahoo.com>
- Dear Naoya,
I reinstalled "libscalapack-openmpi-dev" and removed "-lblacs-openmpi".
but I got the following end of output:
/usr/bin/ld: cannot find -llapack /usr/bin/ld: cannot find -lblas /usr/bin/ld: cannot find -lmpi_f90 /usr/bin/ld: cannot find -lmpi_f77 collect2: error: ld returned 1 exit status make: *** [makefile:211: openmx] Error 1
Regards, Alex
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Re: installatin openmx3.9 error ( No.21 ) |
- Date: 2021/04/16 02:03
- Name: Naoya Yamaguchi
- Dear Alex,
Please also install "liblapack-dev". https://packages.ubuntu.com/en/focal/liblapack-dev
And, please replace "-lmpi_f90 -lmpi_f77" with "-lmpi_mpifh".
Regards, Naoya Yamaguchi
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Re: installatin openmx3.9 error ( No.22 ) |
- Date: 2021/04/16 03:42
- Name: Alex <soutedelan_m2008@yahoo.com>
- Dear Naoya,
Thank you for your guidance. OpenMX 3.9 was installed on my system.
Best wishes, Alex
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Re: installatin openmx3.9 error ( No.23 ) |
- Date: 2021/04/22 22:20
- Name: wiwik <wiwikfis@gmail.com>
- Dear Developer,
I am trying to install openmx3.9 in Ubuntu 20.04.2 LTS (OS Type: 64 bit) on my PC. And I got this error:
/usr/bin/ld: cannot find -lblacs-openmpi collect2: error: ld returned 1 exit status make: *** [makefile:181: openmx] Error 1
Could you help me to overcome my problem?
Regards, Wiwik
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Re: installatin openmx3.9 error ( No.24 ) |
- Date: 2021/04/23 01:35
- Name: Naoya Yamaguchi
- Dear Wiwik,
Please try the same as shown in Nos. 18-22 of this thread. And, you can use the following. CC = mpicc -O3 -fopenmp -ffast-math FC = mpif90 -O3 -fopenmp -ffast-math LIB= -lscalapack-openmpi -llapack -lblas -lfftw3 -lmpi -lmpi_mpifh -lgfortran
Regards, Naoya Yamaguchi
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