[Pw_forum] How to parallelize phonons

[William Parker]

Thanks for the followup, Paolo.

The recover step happens, producing the appropriate "Restart after Phonon calculation" message, but the output insists the representations calculated on other images are still "To be done."  ph.x produces a new .dyn file for the first q-point but no others.  So, the remaining .dyn files from the other images are incorrect because they are incomplete, even though all the data are correctly stored in the data-file.*.xml files in the _ph*/(prefix).phsave/ directories.   Any ideas?  Need any more information?

--William

On Mar 28, 2012, at 4:08 PM, Paolo Giannozzi wrote:

> 
> On Mar 28, 2012, at 21:47 , William Parker wrote:
> 
>> The second step does generate all of the right dynamical matrix entries,
>> but I have been unable to get the recover step to complete successfully
>> yet, though I am currently working on this (if anyone else on the list has
>> any comments on this, please speak up).
> 
> why have you been unable to perform the last step? what happens?
> 
> 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
> 
> 
> 
> 

*********************************************************
  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
*********************************************************