[Pw_forum] QE 6.0 compilation problem
Paolo Giannozzi
p.giannozzi at gmail.com
Thu Mar 9 10:23:38 CET 2017
I don't think it is a compilation problem. There might be a mismatch
of MPI libraries. I would check that "mpirun" is consistent with the
MPI libraries (intel mpi or openmpi) you linked. In any event, it is
not a problem of QE itself
Paolo
On Wed, Mar 8, 2017 at 10:26 PM, Arles V. Gil Rebaza <arvifis at gmail.com> wrote:
> Dear QE user, i've compiled QE 6.0 using fortran intel 2016 on i7 computer
> with ubuntu 16 .
> The compilation finished fine using,
>
> ./configure --enable-parallel --with-scalapack=intel
>
> when i try to run
>
>>> mpirun -np 1 pw.in -in scf.in
>
> the calculation finish ok, but when i increase -np 2 (o more) the
> calculation only start and stop
>
>
>
> Program PWSCF v.6.0 (svn rev. 13079) starts on 8Mar2017 at 18: 1:13
>
> This program is part of the open-source Quantum ESPRESSO suite
> for quantum simulation of materials; please cite
> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
> URL http://www.quantum-espresso.org",
> in publications or presentations arising from this work. More details
> at
> http://www.quantum-espresso.org/quote
>
> Parallel version (MPI), running on 2 processors
> R & G space division: proc/nbgrp/npool/nimage = 2
> Reading input from scf.in
>
>
>
> any comment or suggestion is welcome!!!
>
>
>
> Arles V. Gil Rebaza
> IFLP - Argentina
>
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> Pw_forum at pwscf.org
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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