[Pw_forum] phonon calculation for large system
zqwu00 at gmail.com
Thu Apr 30 20:14:50 CEST 2009
On Thu, Apr 30, 2009 at 7:28 AM, Paolo Giannozzi <giannozz at democritos.it>wrote:
> On Apr 30, 2009, at 10:13 , Gabriele Sclauzero wrote:
> > I think you can use this parallelization level even on a cluster,
> > so that you do not have to do modes and irreps sequentially,
> > but you can split them in concurrently running (multiprocessor)
> > jobs so that you-ll have an actual speed-up.
> sure, but it is currently not implemented in a MPI framework:
> it has to be done "by hand". It isn't difficult to implement it,
> using the "image group", though.
> > Or are you forced to use a single processor in order to exploit
> > this start_q, last_q,... keywords?
> no, I don't think so, or if so, it can be easily fixed
> Paolo Giannozzi, Democritos and University of Udine, Italy
Can single-q, single-mode calculation run in several nodes. If so, memory
may be not a problem even for system with several hundreds atoms.
Thank you very much. All these information are very helpful. I will try the
latest versions of CVS.
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