[Pw_forum] Parallelization of diaghg
Alexander Shaposhnikov
shaposh at isp.nsc.ru
Sat Jan 6 23:49:08 CET 2007
On Sunday 07 January 2007 03:03, Axel Kohlmeyer wrote:
> hmmmm.... what version of pw.x are you referring to?
> at least in version 3.2 there should be a parallel diagonalization
> that is used in pw.x (subroutine cdiagonalize in Modules/ptoolkit.f90).
> as far as i understand, this is not easy to parallelize, so there
> is an estimator that checks, whether the serial or the parallel algorithm
> would be more efficient.
recent cvs.
with diagonalization='david +para', the code almost always chooses
parallel algorithm but this always increases total computation time,
both on Intel and AMD SMP machines.
So i guess the default 'david ' with serial diaghg is the best choice
currently.
By the way, i have found that diago_david_ndim=2 gives better times
and also saves alot of memory comparing with default =4.
Best Regards,
Alexander Shaposhnikov
> cheers,
> axel.
>
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