[Q-e-developers] QE 5.1 phonons and xml with gfortran

[Paolo Giannozzi]

It works for me (gfortran 4.7.2, parallel version on two processors)

P.

On Thu, 2014-06-12 at 17:44 +0200, Giovanni Pizzi wrote:
> The problem appeared with these input files (a very simple 5-atom 
> perovskite, also UPF attached):
> 
> http://dl.dropboxusercontent.com/u/14682673/work/issues/qe-gfortran-5.1-problem.tar.gz
> 
> but it appeared (on the same machine) also to a colleague on a different 
> perovskite.
> 
> It this works for you, then it is probably a problem on our cluster.
> 
> Thanks,
> 
> Giovanni
> 
> 
> 
> On 06/12/2014 05:24 PM, Paolo Giannozzi wrote:
> > I just tried with examples and didn't find any problem.
> > Is your problem always present or only in some specific
> > cases?
> >
> > P.
> >
> > On Thu, 2014-06-12 at 15:33 +0200, Giovanni Pizzi wrote:
> >> Hi all,
> >>
> >> did anyone try to run QE 5.1 ph.x compiled with gfortran?
> >>
> >> If I run a simple calculation (both pw.x and ph.x are from QE 5.1), at
> >> the very beginning of the ph output file I get:
> >>
> >>        Program PHONON v.5.1 starts on 12Jun2014 at 15:11:13
> >>
> >>        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    48 processors
> >>        R & G space division:  proc/nbgrp/npool/nimage =      48
> >>
> >>    %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> >>        Error in routine pw_readfile (3):
> >>        error closing xml data file
> >>    %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> >>
> >>        stopping ...
> >>
> >>
> >> while if I run a version compiled with ifort, everything goes smoothly.
> >>
> >> The data-file.xml generated by the two versions are identical.
> >>
> >> I also attach the make.sys.
> >>
> >> Best,
> >> Giovanni Pizzi
> >>
> >>
> >> _______________________________________________
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> >
> 
>