[Pw_forum] Problem to restart calculus in PWscf

[dario rocca]

Dear Yenner,
in order to restart a calculation has to end smoothly in the previous run
and write the restart files.
The prefix.wfc1 file that you see is probably created only at the moment of
the restart and is, of course, empty
You can find the solution to your problem here
http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/node19.html
Best,
Dario Rocca

On Wed, Aug 12, 2015 at 7:00 PM, Yenner Bentarcurt <
yenner.bentarcurt at ciens.ucv.ve> wrote:

> Dear PWSCF users and developers
>
> Now I carry out simulation of polar surfaces of iron oxides, but when I
> try to restart a
> calculus, this fails and reports the  message  "error while reading from
> file
> ./wfcdir/prefix.wfc1". When I search  for this file in the directory
> ./wfcdir this is present
> but shows 0 bytes. The Namelist &CONTROL for this calculus is
>
> &CONTROL
>   restart_mode = 'restart' ,
>    calculation = 'relax' ,
>     wf_collect = .true. ,
>      outdir = './outdir' ,
>      wfcdir = './wfcdir' ,
>      pseudo_dir = '/opt/espresso-5.1.2/pseudo/' ,
>      prefix = 'magh-slab100-3v124-111-pbeUwithcorrefield01-relax02' ,
>      etot_conv_thr = 1.0D-5 ,
>       forc_conv_thr = 1.0D-4 ,
>       nstep = 500 ,
>       tefield = .true. ,
>       dipfield = .true. ,
>
>
> I'm using of the QE 5.1.2 version, compiled in centOS 7 on a Dell tower
> server with 16
> processors and 16 Gb of memory
> I hope all your help
>
>
> Yenner
> Student of PhD
> Central University of Venezuela
> Science Faculty, Department of Chemistry
>
>
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