[Pw_forum] problem about installing

Ari P Seitsonen Ari.P.Seitsonen at iki.fi
Wed Feb 8 22:53:18 CET 2017


Hello Nasim Ha,

   you did not show the command line, but - are you using 'mpif90' from 
OpenMPI? I think that it should find the object in question automatically 
- or the MPI library is not fully compatible with the MKL library. Did you 
install a system library for OpenMPI or compile it yourself?

     Greetings,

        apsi

PS Same error in 2012, also from Tehran: ;)

http://qe-forge.org/pipermail/pw_forum/2012-May/098640.html

(Also there the compilation line missing; please check also 'mpirun -show' 
and 'mpirun --version')

   In 2013: http://www.mail-archive.com/pw_forum@pwscf.org/msg21638.html

   In 2014: https://www.mail-archive.com/pw_forum@pwscf.org/msg24125.html

   In 2015: http://www.mail-archive.com/pw_forum@pwscf.org/msg24892.html

   Similar in 2016: http://superuser.com/questions/1059211/installing-quantum-espresso-trouble-with-make


PS^2 And 5.4.0 is the newest version... ... since a couple of months :)


PS^3 Louis, please write to the Forum with your affiliation :)

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
   Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
     Ecole Normale Supérieure (ENS), Département de Chimie, Paris
     Mobile (F) : +33 789 37 24 25    (CH) : +41 79 71 90 935


On Wed, 8 Feb 2017, Nasim Ha wrote:

> Hi Dear
> I want to instal the newest version of QE (5.4.0) with operating system CentOS.
> but in the compilation it give an error as below :
>
> /opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.a(BI_MPI_F77_to_c_trans_comm.o):
> In function `BI_MPI_F77_to_c_trans_comm':
> ../../../../scalapack/BLACS/SRC/MPI/INTERNAL/BI_MPI_F77_to_c_trans_comm.c:(.text+0x6):
> undefined reference to `MPI_Comm_f2c'
> make[2]: *** [pw.x] Error 1
> make[2]: Leaving directory `/home/hadian/soft1/espresso-5.4.0/PW/src'
> make[1]: *** [pw] Error 1
> make[1]: Leaving directory `/home/hadian/soft1/espresso-5.4.0/PW'
> make: *** [pw] Error 1
> please help me
> thans
> -- 
> N.H.Jazi
> PhD student of Physics.
> Physics Department,Central Tehran Branch,Islamic Azad
> University,Tehran,88074907,Iran.
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>


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