[Pw_forum] parallelization of phonon calculations

[William Parker]

Each image will output to its own output file labeled out.i_0 where i runs from 1 to N_image - 1.  The frequencies in these files will be garbage unless all of the representations for a particular q-point are contained in one image.  After you run the image-parallelized run, you must copy the data-file.*.*.xml files (not the data-file.*.xml files) to the _ph0/(prefix).phsave/ directory and run again on one image with recover=.true. in your input file.  This will produce the correct frequencies in the output file and the (prefix).dyn* files.  

--William

On Jul 25, 2012, at 7:37 AM, Torstein Fjermestad wrote:

> Program PHONON v.4.3.2
> 
> On Wed, 25 Jul 2012 13:40:39 +0200, Paolo Giannozzi 
> <giannozz at democritos.it> wrote:
>> Which version of the phonon code have you used? P.
>> ---
>> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>> Phone +39-0432-558216, fax +39-0432-558222
>> 
>> 
>> 
>> 
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*********************************************************
  William D. Parker                 phone: (630) 252-4834
  Computational Postdoctoral Fellow   fax: (630) 252-4798
  MSD-212, Rm. C-215
  Argonne National Laboratory
  9700 S. Cass Ave.
  Argonne, IL 60439
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