[Pw_forum] Phonons: Parallelisation over the representations

Lorenzo Paulatto paulatz at gmail.com
Sat Oct 7 10:25:22 CEST 2017

Great idea! Now you only need to spend 10k man/hours to actually do it.

Oh, wait, someone did it already, but it requires some thinking to us 
it. Check PHonon/examples/GIRD_example

Also the thermopw package should do this 
<http://people.sissa.it/~dalcorso/thermo_pw_help.html> although I have 
never used it personally.


On 07/10/17 10:19, JAY Antoine wrote:
> Dear devellopers, dear all,
> ?? Is there a way to do a phonon parallelisation over the 
> representations of a same q-point ??
> I think they are all calculated separatelly and communicate only at 
> the end of each convergeance to fill the dynamical matrix, didn't it?
> This would be a much more efficent parallelisation than the nimage 
> one: no processors would 'sleep' because of the high number of 
> representations,
> and this allow to complete phonon calculation for much larger cells.
> Best regards,
> Antoine Jay
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Lorenzo Paulatto - Paris

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