[Pw_forum] Error in routine phq_readin (1): reading title

Andrea Pedrielli andrea.pedrielli at unitn.it
Tue Jun 13 11:42:41 CEST 2017


Thanks Paolo,
I have solved,
it was indeed an error in the line that passes the input file to the
program.
I'm sorry for bothered you but I was approaching the problem from the point
of view suggested by Lorenzo, because some previous mails were about errors
in the input file structure or about the mpi settings.

Thanks again,

Andrea

2017-06-13 11:27 GMT+02:00 Lorenzo Paulatto <lorenzo.paulatto at impmc.upmc.fr>
:

> Do you have a title line (e.g. a line with any random text string in it)
> before the inputph namelist in the phonon input?
>
> On 13/06/17 10:21, Andrea Pedrielli wrote:
>
> Dear users,
> I'm doing some GW calculation with Quantum Espresso, version 6.1. I
> compiled the MPI version on a cluster, and I can successfully run pw.x
> program for scf calculations. However when I go to run the head.x program
> I obtain the error message " Error in routine phq_readin (1): reading
> title"  reported below.
> The same error that I found with my system (graphene) I obtained also with
> the example02 for silicon in Example/GWW/ directory.
> I do not obtain this error when I run head.x for silicon example on my PC,
> using the same MPI QE version.
> Any idea?
>
> Thanks in advance,
>
> Andrea Pedrielli
>
> FBK-ECT* Trento
>
>
>      Program PHONON v.6.1 (svn rev. 13369) starts on 13Jun2017 at 10: 8:49
>
>      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    16 processors
>      R & G space division:  proc/nbgrp/npool/nimage =      16
>
>      Ultrasoft (Vanderbilt) Pseudopotentials
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> %%%%%%%%%%%%%%%%%%%
>      Error in routine phq_readin (1):
>      reading title
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> %%%%%%%%%%%%%%%%%%%
>
>      stopping ...
> --------------------------------------------------------------------------
> MPI_ABORT was invoked on rank 15 in communicator MPI_COMM_WORLD
> with errorcode 1.
>
> NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
> You may or may not see output from other processes, depending on
> exactly when Open MPI kills them.
> --------------------------------------------------------------------------
>
>
>
> _______________________________________________
> Pw_forum mailing listPw_forum at pwscf.orghttp://pwscf.org/mailman/listinfo/pw_forum
>
>
> --
> Dr. Lorenzo Paulatto
> IdR @ IMPMC -- CNRS & Université Paris 6
> phone: +33 (0)1 442 79822 / skype: paulatz
> www:   http://www-int.impmc.upmc.fr/~paulatto/
> mail:  23-24/423 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170613/2f69a738/attachment.html>


More information about the users mailing list