[Pw_forum] problems with pp.x for parallel processing

[Natalia Pavlenko]

I know that pp.x works well without k-parallelization, but for this I need to recalculate nscf with wf_collect which takes pretty much time and more memory sources.

Best, Natalia

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

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



--- On Sat, 10/8/11, 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: Saturday, October 8, 2011, 1:07 PM
> There is definitely some problem with
> k-point parallelization
> (-npool option) in pp.x. However, it worked for me if the
> "wf_collect" option is used and pp.x is launched without
> k-point parallelization
> 
> 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
> 
> 
> 
> 
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