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

[Paolo Giannozzi]

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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