[Pw_forum] Restart phonon calculation from failed recovery file?

Paolo Giannozzi giannozz at democritos.it
Thu Jan 17 12:59:39 CET 2013


What you are asking is far from easy. It should be possible
to manually edit one of the restart files and force the system
to recalculate the mode that went missing, but it might take 
more time to figure out how to do this in a proper way than 
to redo everything from scratch

P.

On Mon, 2013-01-14 at 11:16 +0100, Jia Zhang wrote:
> Hi all,
> 
> Could anyone be kind to give me suggestions how to continue a phonon
> calculation from the previous  when the  recover file has not been
> generated correctly?  For example, I have a phonon calculation at one
> q point with 15 modes on 16 cpus. However it stops due to some writing
> error on disk during the 9th mode.  Then some of the recover files may
> not been written correctly. How can I restart this calculation? 
> Thanks. 
> -- 
> PhD.Jia Zhang.
> 1st Physics Institute, Justus-Liebig University of Giessen,
> Heinrich-Buff-Ring 16, 35392 Giessen, Germany
> email:kevinjiazhang at gmail.com;Jia.Zhang at exp1.physik.uni-giessen.de
> 
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-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy





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