[gmx-users] comparison of reaction field and PME
David van der Spoel
spoel at xray.bmc.uu.se
Mon Mar 4 21:14:26 CET 2002
On Mon, 4 Mar 2002, Yuguang Mu wrote:
>Thank you for the reply.
>Here I send here a little statistics about the
>CPU time of PME with one cpu and di-cpu
> one CPU dual-CPU
>cutoff 622 s 331 s
>PME 1512 s 1294 s
>It seems to me that simple cutoff is very well paralleled,
>but the FFTW is not .
Could it be that you have very fine grid spacing? It usually is quite a
bit better than this, but not as good as cut-off.
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://zorn.bmc.uu.se/~spoel
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