[Pw_forum] Empty .dyn file from running ph.x with images

Jiayi Yan jiayi.yan05 at gmail.com
Mon Nov 25 15:38:56 CET 2013


Thank you, Andrea.

  Best regards,
Jiayi


On Mon, Nov 25, 2013 at 8:06 AM, Andrea Dal Corso <dalcorso at sissa.it> wrote:

>
> On Sat, 2013-11-23 at 09:52 -0600, Jiayi Yan wrote:
> > Dear all,
> >
> >
> > I was running ph.x with 6x6x6 q grids for bcc metal. There are 29 q
> > points to calculate. After running mpirun -np 24 ph.x -nimage 4 -npool
> > 2 ..., I got all .dyn files, but the .dyn8 is empty. I guess by
> > dividing 29 q points to 4 images some are missed/double-counted?
> >
>
> Dynamical matrices split among different images are not saved in the
> running directory, but are saved separately in the outdir/prefix.phsave
> directory. Running ph.x with recover=.true. and without images after a
> run with the images, allows to collect the information already saved on
> disk and should be very fast.
> There is a detailed example in PHonon/examples/Image_example.
>
>
> HTH,
>
> Andrea
>
>
> >
> > There was a hint in the developer's manual for ph.x saying "...So you
> > need to collect the results running \phx\ another time without
> > images". Does it mean I have to start over without images, or there's
> > a way to get .dyn8 easily?
> >
> >
> > Thank you in advance.
> >
> >
> >   Sincerely,
> > Jiayi Yan
> >
> >
> > --
> > Jiayi Yan
> >
> > Graduate student, Dept. of Materials Science & Engineering
> > Northwestern University
> > 2220 Campus Dr, Cook Hall 2032
> > Evanston, Illinois 60208-3108, U.S.A
> > Office: Cook Hall 2021
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
> --
> Andrea Dal Corso                    Tel. 0039-040-3787428
> SISSA, Via Bonomea 265              Fax. 0039-040-3787249
> I-34136 Trieste (Italy)             e-mail: dalcorso at sissa.it
>
>
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>



-- 
*Jiayi Yan *

 *Graduate student, Dept. of Materials Science & Engineering*
*Northwestern University*
*2220 Campus Dr, Cook Hall 2032*
*Evanston, Illinois 60208-3108, U.S.A*
*Office: Cook Hall 2021*
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