[gmx-users] fftw tweaking ?

David van der Spoel spoel at xray.bmc.uu.se
Sat Oct 12 08:08:17 CEST 2002

On Thu, 10 Oct 2002, Erik Lindahl wrote:

>Don't expect any dramatic speed differences, though: Last time I 
>benchmarked a PME run we spent about
>10% doing the FFTs; the main culprit is the charge 
>spreading/interpolation which really trashes the cache.
Depends a lot on the size of your grid! Especially the caching may be an
issue. Do try it by all means...

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Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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