[Pw_forum] QE 6.0 compilation problem

Bramha Pandey pandey.bramha at gmail.com
Thu Mar 9 03:34:43 CET 2017


Dear Arles,
I can see few points..
the command you are using

>> mpirun -np 1 pw.in -in scf.in
it might be for more than 1 processor..
>> mpirun -np 2 pw.x  -inp  scf.in
let try above command.
Hope it will help.

-- 
Regards
Dr. Bramha P Pandey
Asstt. Prof. ECE Deptt.
GLA University, Mathura (U.P)
India-281406.

On Thu, Mar 9, 2017 at 2:56 AM, 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
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
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