[Pw_forum] from phq_readin : error # 19

[Daniel Reta]

No... I submitted it with 6 processors instead of 12. I did not know I had to mantain the same number.

Thank you very much

========================

Dr. Daniel Reta,
Post-doctoral Research Associate,
Computational Chemistry, School of Chemistry
University of Manchester

Email: daniel.reta at manchester.ac.uk

========================

________________________________________
From: pw_forum-bounces at pwscf.org [pw_forum-bounces at pwscf.org] on behalf of Paolo Giannozzi [p.giannozzi at gmail.com]
Sent: 21 April 2017 09:58
To: PWSCF Forum
Subject: Re: [Pw_forum] from phq_readin : error # 19

Is the mentioned file there, and not empty? if so: are you running
with the same number of processors and same parallelization as the scf
calculation?

On Thu, Apr 20, 2017 at 2:01 PM, Daniel Reta
<daniel.reta at manchester.ac.uk> wrote:
> Oh wow, that was embarrassing! sorry for the silly question.
>
> However, now I get another error, which I hope is not as silly
>
>     Error in routine diropn (10):
>      error opening /scratch/mbdssdr5/QE/Dy_III-Cl_O/Dy_III.wfc5
>
> Cheers
>
>
> ========================
>
> Dr. Daniel Reta,
> Post-doctoral Research Associate,
> Computational Chemistry, School of Chemistry
> University of Manchester
>
> Email: daniel.reta at manchester.ac.uk
>
> ========================
>
> ________________________________________
> From: pw_forum-bounces at pwscf.org [pw_forum-bounces at pwscf.org] on behalf of Paolo Giannozzi [p.giannozzi at gmail.com]
> Sent: 20 April 2017 12:08
> To: PWSCF Forum
> Subject: Re: [Pw_forum] from phq_readin : error # 19
>
> pseudo_dir is not an input variable of the phonon code, IIRC. Paolo
>
> Il 20/apr/2017 11:36 AM, "Daniel Reta" <daniel.reta at manchester.ac.uk<mailto:daniel.reta at manchester.ac.uk>> ha scritto:
> Dear all,
>
> I am trying to run a phonon calculation at the gamma point. This is my input
>
> &inputph
>     prefix='Dy_III',
>     pseudo_dir='CurDir',
>     outdir='Scratch',
>     epsil=.true.,
>     fildyn='dyn.G',
>     tr2_ph=1.0d-14
> /
> 0.0 0.0 0.0
>
> where CurDir and Scratch are defined in the same manner as in the previous scf calculation which converged properly. Dy_III is the prefix for the wfc of the previous calculation.
>
> I get the following error printed in the CRASH file
>
>
>      task #         1
>      from phq_readin : error #        19
>      reading inputph namelist
>   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      task #         5
>      from phq_readin : error #        19
>      reading inputph namelist
>
>
> and this
>
>      Error in routine phq_readin (19):
>      reading inputph namelist
>
> in the output file.
>
> Could anyone please indicate me what I am doing wrong?
>
> Best regards
>
> ========================
>
> Dr. Daniel Reta,
> Post-doctoral Research Associate,
> Computational Chemistry, School of Chemistry
> University of Manchester
>
> Email: daniel.reta at manchester.ac.uk<mailto:daniel.reta at manchester.ac.uk>
>
> ========================
>
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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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