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

Andrea Dal Corso dalcorso at sissa.it
Mon Nov 25 15:06:46 CET 2013


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
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-- 
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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