[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:

>Hi David,
>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.

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://zorn.bmc.uu.se/~spoel

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