[Pw_forum] Error in running GWW

marsamos at democritos.it marsamos at democritos.it
Wed Feb 24 11:24:25 CET 2010


Dear All, GWW is in a beta phase. The running of head.x is only needed 
(if I remember correctly) if k points are used. The problem with head.x 
at the moment is that head.x is strongly bound to PH and PH has been 
changed so much this last months. GWW is compiling (which is almost the 
only thing that is tested for packages that are still in beta phase), 
but not working properly. We will work on that next week.

bests

Layla

Quoting Lorenzo Paulatto <paulatto at sissa.it>:

> On Wed, 24 Feb 2010 05:38:01 +0100, Adrian <nicy04 at gmail.com> wrote:
>>   I noticed MPI didn't work in output files but I didn't know why.
>>    Since when I tried espresso-4.1.2, MPI worked well (I can use 4
>> processors).
>>   But for CVS version, MPI didn't work and only one processor was
>> running.
>
> Dear Adrian,
> I don't think it is an MPi problem. It is more likely that the head
> calculation (head.x) crashes for some reason while MPI is just reporting
> the crash. Please have a look at file si8_ph_head.out in the HEAD/
> subdirectory of the example. By "have a look" I mean: open the file with a
> text editor, and possibly send a copy to this mailing list.
>
> best regards
>
> --
> Lorenzo Paulatto
>
> *** Note: my affiliation has changed! please send future
> correspondence to: <Lorenzo.Paulatto at impmc.upmc.fr> ***
>
> post-doc @ IMPMC/UPMC - Université Paris 6
> phone: +33 (0)1 44 27 74 89
> www:   http://www-int.impmc.upmc.fr/~paulatto/
>
> previously:
> phd student @ SISSA  &  DEMOCRITOS (Trieste)
> phone: +39 040 3787 511
> www:   http://people.sissa.it/~paulatto/
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>



-- 
Dr. L. Martin-Samos
tel. +39 040 3787 429
CNR-DEMOCRITOS and
International School for Advanced Studies (ISAS-SISSA)
via Beirut 2-4
34151 Trieste Italy

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