[Pw_forum] strange behavior of npool + nscf output
Gabriele Sclauzero
sclauzer at sissa.it
Tue Jul 20 17:34:02 CEST 2010
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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> Pw_forum at pwscf.org
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§ Gabriele Sclauzero, EPFL SB ITP CSEA
PH H2 462, Station 3, CH-1015 Lausanne
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