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