[Pw_forum] Berry phase routine status?
giannozz at nest.sns.it
Tue Dec 14 17:04:49 CET 2004
On Tuesday 14 December 2004 15:41, Serge Nakhmanson wrote:
> Does Berry phase calculation routine in espresso 2.1 work in parallel mode?
not with k-point parallelization and only for "gdir" along axis 3
> When I do an MPI run with a scf + ( nscf + BP ) calculations I get the scf
> and nscf parts only, after which the code just stops with no obvious error
that's strange: it should stop with an obvious error message
> Is it possible to do the scf run in parallel and then nscf + BP in serial
yes it is
Paolo Giannozzi e-mail: giannozz at nest.sns.it
Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513
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