[Pw_forum] Phonons: Parallelisation over the representations

JAY Antoine Antoine.JAY at isae-supaero.fr
Sat Oct 7 10:48:16 CEST 2017

Ok I will do it 'manually' as proposed in these examples.
Thanks for all.

On Saturday, October 07, 2017 10:25 CEST, Lorenzo Paulatto <paulatz at gmail.com> wrote:
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.
cheers 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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