[QE-developers] Bug Report

[Paolo Giannozzi]

Thank you for your report. I think that the "reduce_io" option in the
phonon code is obsolete

Paolo

On Wed, Apr 25, 2018 at 6:46 PM, Hao Zeng <zengh at uchicago.edu> wrote:

> Dear QE Developers,
>
> I believe I encountered a bug in the phonon calculation. After I set the
> reduce_io to .true. in phonon input file, ph.x cannot find the necessary
> .wfc files. This error goes away if I set reduce_io back to .false..
>
> Here's a snippet of the output file:
>
>  Computing dynamical matrix for
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> %%%%%%%%%%%%%%%%%%%
>      Error in routine openfilq (1):
>      file fo75fa25.wfc not found
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> %%%%%%%%%%%%%%%%%%%
>
>      stopping ...
>
> If I start with a calculation of reduce_io = .false., cancel it, and then
> start the same calculation with reduce_io set to .true, the error also
> disappears.
>
> Sincerely,
> Hao
>
>
> --
> Hao Zeng, PhD Student
> Department of Chemistry
> The University of Chicago
> Chicago, IL, USA, 60637
>
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>


-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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