[Pw_forum] a problem about the parallelism, showing 'Parallel version (MPI & OpenMP)' in the out file

董旭 dx0620 at gmail.com
Fri Apr 25 14:41:04 CEST 2014


Dear pw users,

Recently, I got a problem when doing the electron-phonon calculation.I did
the same calculation twice with the same parameters in different days. The
former finished with no problem, while the latter occurs some issues.

Here are the ****.fit.scf.ou*t file,the former shows:

     Program PWSCF v.5.0.2 (svn rev. 9392) starts on 21Apr2014 at  9:59:26

     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.php

     Parallel version (MPI), running on     8 processors
     R & G space division:  proc/nbgrp/npool/nimage =       8

while the latter shows:

     Program PWSCF v.5.0.2 (svn rev. 9392) starts on 24Apr2014 at 16:20:47

     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.php

     Parallel version (MPI & OpenMP), running on       8 processor cores
     Number of MPI processes:                 8
     Threads/MPI process:                     1
     R & G space division:  proc/nbgrp/npool/nimage =       8

Please note the red part
I don't know what happend with the executive routine *pw.x *
Thanks for your attention.

Yours
Dong Xu
-- 
Dong Xu
State Key Lab of Metastable Mat. Sci. & Tech.
Yanshan University
Qinhuangdao, 066004
HeBei, CHINA
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