[Pw_forum] parallel computation too slow

Paolo Giannozzi giannozz at democritos.it
Fri Mar 16 21:48:15 CET 2012


On Mar 16, 2012, at 19:14 , Elie M wrote:

> I am running phonon calculations for a supercell of 60 atoms at the  
> gamma point [...]
> What could the possible causes of this slowness be? Is it something  
> to do with the
> nodes or with phonon calculations in general? Is there a way to check?

>

a phonon calculation for N atoms requires a CPU time of the order of  
3N the time of
the correspoding  scf calculation. Does yours? if it does, there is  
nothing that can be
done.

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







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