[Pw_forum] problems with pp.x for parallel processing

[Paolo Giannozzi]

On Sat, 2011-10-08 at 22:54 -0700, Natalia Pavlenko wrote:

> I know that pp.x works well without k-parallelization

I had understood the opposite from one of your previous
messages

>  but for this I need to recalculate nscf with wf_collect
> which takes pretty much time and more memory sources.

if you run the nscf calcul;ation with npool*nproc_pool processors,
you may actually run the postprocessing on nproc_pool processors
with npool=1. You have to remove the following lines from postproc.f90:
 IF (nproc /= nproc_file .and. .not. twfcollect .and. needwf)  &
     CALL errore('postproc',&
     'pw.x run with a different number of processors. Use
wf_collect=.true.',1)

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy