[Pw_forum] Restarting ph.x in version 4.0.1

Eyvaz Isaev eyvaz_isaev at yahoo.com
Wed Aug 20 15:32:46 CEST 2008

Dear Deepa,

You can try adding "recover=.true." to your *.ph.in, but it requires saved temporary files.
If this does not fix your problem (one reason is you use parallel environment and temporary files are deleted right after your job stopped or crashed) let me know and I can send you modified files. 


Prof. Eyvaz Isaev, 
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden 
Condensed Matter Theory Group, Uppsala University, Sweden 
Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com

--- On Wed, 8/20/08, Deepa Kasinathan <d.kasinathan at ifw-dresden.de> wrote:

> From: Deepa Kasinathan <d.kasinathan at ifw-dresden.de>
> Subject: [Pw_forum] Restarting ph.x in version 4.0.1
> To: pw_forum at pwscf.org
> Date: Wednesday, August 20, 2008, 4:42 PM
> Hello,
>    I run ph.x using Version 2.1.5, and the CPU time limit
> is exceeded
> before all the phonon frequencies are calculated. When I
> restart this
> calculation, the program recognizes that and continues with
> the phonon
> modes that were not yet calculated.
>   I do the same thing with Version 4.0.1, but every time
> the program
> starts to calculate from the first phonon mode. Is there a
> new flag that
> needs to be added to the input file in the new version so
> as to not
> redo the phonon modes that are already converged ?
>   I appreciate any help regarding this problem.
> Regards,
> Deepa
> Deepa Kasinathan
> Max Planck Institute for Chemical Physics of Solids
> Noethnitzer Strasse 40, D-01187 Dresden, Germany.
> Phone: +49 351 4646 4424.
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum


More information about the users mailing list