[Pw_forum] phonons of bcc iron bulk in parallel

[Andrea Floris]

On Thu, 14 Jun 2007, Paolo Giannozzi wrote:

>
> On Jun 14, 2007, at 16:39 , Andrea Floris wrote:
>
> > [...] if I run in parallel, with the same input except for the
> > number of
> > processors, the code runs but the phonons, e.g. at H point, are a
> > disaster
>
> with pools? there was a number of problems with phonons+pools+lsda
> in 3.2. I though they were all fixed by the two patches, but maybe they
> were not...

Yes, with npool = 4 . Inspired by your question I run a parallel job with
npool=1 (i.e.
with no pools) and everything is fine.    So  also after applying the
patch 3.2.2, the problem arises when  pools are used.

Thank you Paolo, your answer was very useful.
Andrea

>
> Paolo
> ---
> Paolo Giannozzi, Democritos and University of Udine, Italy
>
>
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