[Pw_forum] Job Termination and convergence

Simon Binnie sbinnie at sissa.it
Wed May 2 16:49:19 CEST 2012

On Wed, 02 May 2012 16:43:15 +0200, Victor Meng'wa  
<victormengwa at gmail.com> wrote:

>is there a particular way in QE that you can terminate a job without
> necessarily killing it and provide  the required output

The max_seconds keyword allows you to have the job gracefully exit after a  
preset amount of time has elapsed. Also from what I understand you can  
force the job to end by creating a file prefix.EXIT in the outdir (where  
prefix is the job prefix you've set in the pwscf input file).



Simon Binnie | Post Doc, Condensed Matter Sector
Scuola Internazionale di Studi Avanzati (SISSA)
Via Bonomea 256 | 34100 Trieste | sbinnie at sissa.it

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