[Pw_forum] strange behavior of npool + nscf output

Daniel Forrer daniel.forrer at unipd.it
Tue Jul 20 18:04:16 CEST 2010


Dear Gabriele,
thank you for your prompt answer.
Indeed, we set verbosity = 'high'.
It was a little confusing to us that this line was present only for a subset
of k-points.

regards
Daniel and Luca



2010/7/20 Gabriele Sclauzero <sclauzer at sissa.it>

>
> Have you set verbosity='high' in the input? If so, I think this is the
> expected behavior of the code. When running in parallel, however, I suspect
> that only the IO node prints this information, so that's why you don't see
> this printout for all the k-points but only for those assigned to the first
> pool. Anyway, this should not affect the results in any way.
>
> HTH
>
> GS
>
> Il giorno 20/lug/2010, alle ore 17.18, Daniel Forrer ha scritto:
>
> Dear all,
> in the output file of the nscf run, using npool > 1
> the line of the type:
> "Computing kpt #:    xx"
> are printed only for a few k-points, precisely from kpt=1 to kpt=(total
> kpt)/npool
> we checked that the nscf run computes actually the whole set of k-points,
> so that it is only a matter of the textual output.
>
> kind regards
>
> Daniel Forrer (Università di Padova)
> Luca Sementa (IPCF-CNR Pisa)
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>
>
>
> § Gabriele Sclauzero, EPFL SB ITP CSEA
> *   PH H2 462, Station 3, CH-1015 Lausanne*
>
>
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>


-- 
 ----------------------------------

  Daniel Forrer
  Dipartimento di Scienze Chimiche
  Università degli Studi di Padova
  V. Marzolo 1, Padova
  mail   daniel.forrer at unipd.it
  tel.   +39 049 8275166

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