[Pw_forum] parallelization of phonon calculations

[William Parker]

I agree that it should be automatic, but, in any case I've tried, ph.x doesn't find the other directories.  

--William 

On Jul 25, 2012, at 12:45 PM, Paolo Giannozzi wrote:

> 
> On Jul 25, 2012, at 16:13 , William Parker wrote:
> 
>> 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.
> 
> funny: "image" parallelization (the one done with MPI, not with separate
> calculations on a grid) should automatically perform the final step of
> collecting results.
> 
> 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
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  Argonne National Laboratory
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