[Pw_forum] R&G space division vs K-point division

Mahmoud Payami Shabestari mpayami at aeoi.org.ir
Wed Feb 29 14:37:01 CET 2012

Dear Paolo,

Thank you very much. Now I got the point. Sorry for somewhat unclear 


> Is it possible to decouple R & G space division from the K-point
> division such that they can be asigned arbitrary values?

not sure what you mean. The parallelization over k-points
and over R- and G- space are "decoupled", i.e. you can
choose independently how many processors for the latter
and how many for the former. There are separate restrictions 
on both, though. Unless of course you have other restrictions 
on the total number of processors you can run on (e.g.only 
powers of 2, as in some machines).


Paolo Giannozzi, IOM-Democritos and University of Udine, Italy

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