[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...
>Cheers,
>
>Erik
>
>
>
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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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