[Pw_forum] Phonons: Parallelisation over the representations
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
> and this allow to complete phonon calculation for much larger cells.
> Best regards,
> Antoine Jay
> Pw_forum mailing list
> Pw_forum at pwscf.org
Lorenzo Paulatto - Paris
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