[Pw_forum] NEB calculation - Problem

Stefano de Gironcoli degironc at sissa.it
Mon Aug 9 17:09:20 CEST 2010


Dear Andre Martinotto
   I don't think this should be the case....why do you think it could be 
that ?
   Even if this were happening (which I think shouldn't) the .igk file 
of each image should be the same so your problem is something else. Are 
you sure you are not running two instances of the same job concurrently 
? or two different jobs using the same outdir ... ?
   Stefano de Gironcoli - SISSA and DEMOCRITOS

Andre Martinotto wrote:
> Dear all,
>
> I try to run NEB calculation, but I am having a problem trying to use the
> image parallelization level.
> I have the outdir and wfcdir directories on a shared file system e I think
> that the images are overwriting the .igk of the other images. How could
> solve this problem?
>
> Thank you very much.
>
> Andre
> Email: almartinotto at gmail.com
> Computing Department
> Universidade de Caxias do Sul
> Caxias do Sul - RS, Brazil
>
>   
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