[gmx-users] Mac OS X system

David van der Spoel spoel at xray.bmc.uu.se
Thu Dec 19 11:52:02 CET 2002

On Wed, 2002-12-18 at 17:50, Taeho Kim wrote:
> Hi David and all,
> Thank you for your reply.
> I am wondering how to explain the results(with np -1) below and how to improve my system, not cluster. Did I miss something? Is it matter of the way I compiled fftw/gromacs?  Please comment about <<Q>> below.
> I got to have chance to compare my results with the benchmark page on Lys/Cut. I downloaded and run several jobs.  I do understand that my test is not exactly same, but it's just for comparison and making faster system. The only difference may be CPU and the way of compiling fftw ,gromacs, and so on.  
> Our             Dual Mac     1.0G    1453 ps /day  (from the log file 60.55 ps/Node hour x 24hour/day)
> Gromacs   BM  Dual Mac 1.25G   2784 ps
>                      single Mac 1.25G  1712 ps 

If you run -np 1 you get single processor. Then scaling from 1453 to
1712 ps/day corresponds to clock speed. Check manual for parallel mdrun

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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