[Pw_forum] postprocess pp require wfc_collect although that was set

Paolo Giannozzi paolo.giannozzi at uniud.it
Wed Oct 16 13:43:10 CEST 2013


On Tue, 2013-10-15 at 12:26 +0100, Davide Tiana wrote:

> When I try to run pp it complains cause:
>    
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>       Error in routine postproc (1):
>       pw.x run with a different number of procs/pools. Use wf_collect=.true.
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> 
> but 
> [...]
>      wf_collect=.true.

you should first of all verify whether the file you are reading was
really written using "wf_collect=.true.". If so, fale data-file.xml
in $outdir/$prefix.save should contain fields <WFC ... > </WFC>
(or <WFC.1 ...>, <WFC.2 ...> )

P.
-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222 




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