[Pw_forum] Splitting phonon calculation over q point and irr

Paolo Giannozzi giannozz at democritos.it
Wed May 16 21:58:24 CEST 2012

On May 15, 2012, at 23:19 , Rui Mao wrote:

> Before you can split the job over q points and representations,
> you have to copy PREFIX.save (which is generated by scf calculation)
> to each sub directories where you want to do the ph calculation  
> separately.
> If the system is slightly large (more 20 atoms in unit cell), the  
> PREFIX.save
> will be several GBs

if you have a parallel file system (i.e. one that is visible to all  
processors), it
might be sufficient to create symlinks. I don't know how this stuff  
is working
now: just guessing

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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