[Pw_forum] problems with pp.x for parallel processing

[Natalia Pavlenko]

I tried two different possibilities: first, I used the same number of pools ("-npool 2") in nscf and in pp.x. In this case I received the message:
-------------
from local_dos : error #         1
     problems with xk_pool
------------------
Second, I tried to run pp.x without setting the option npool
(just pp.x < case_rho.in > case_rho.out), in this case I get the following message after the crash:
------------------
from postproc : error #         1
pw.x run with a different number of pools. Use wf_collect=.true.
-------------------

Best regards, N. Pavlenko
Dr. Natalia Pavlenko
Institute for Condensed Matter Physics,
Lviv, Ukraine

Tel.: +38-0322-707401
Fax: +38-0322-761158



--- On Fri, 10/7/11, Paolo Giannozzi <giannozz at democritos.it> wrote:

> From: Paolo Giannozzi <giannozz at democritos.it>
> Subject: Re: [Pw_forum] problems with pp.x for parallel processing
> To: "PWSCF Forum" <pw_forum at pwscf.org>
> Date: Friday, October 7, 2011, 10:40 AM
> 
> On Oct 7, 2011, at 18:19 , Natalia Pavlenko wrote:
> 
> > I am trying to calculate charge density plots using
> pp.x for 8  
> > parallel
> > processors. The scf and nscf calculations are
> successfully finished.
> > With pp.x, I receive the following warning after the
> CRASH:
> 
> you didn't try to run on a diferent number of pools from
> the one
> used in the nscf calculation?
> 
> P.
> ---
> Paolo Giannozzi, Dept of
> Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> 
> 
> 
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>