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<body class='hmmessage'><div style="text-align: left;">Hi,<br><br>This is a bit confusing.<br>npme refers to the number of grid cells in the x and y dimension.<br><br>You can now use any number.<br>But a high parallelization you will get the best performance<br>when nkx and nky are divisible by npme.<br><br>Berk<br></div><br><br><hr id="stopSpelling">> From: cseifert@bph.ruhr-uni-bochum.de<br>> To: gmx-users@gromacs.org<br>> Date: Tue, 14 Oct 2008 19:45:53 +0800<br>> Subject: [gmx-users] Mistake in manpage/manual?<br>> <br>> Hi.<br>> <br>> I think, I found a mistake in the new manual/manpage.<br>> <br>> Gromacs-4.0 manual(page 279) and manpage for mdrun:<br>> <br>> "For good load balancing at high parallelization, npme should be<br>> divisible by the number of PME nodes."<br>> <br>> If I got it right, than npme should be the the number of PME nodes. So<br>> even for prime # of CPUs it is always 1.<br>> <br>> Greetings,<br>> Christian.<br>> <br>> -- <br>> M. Sc. Christian Seifert<br>> Department of Biophysics<br>> University of Bochum<br>> ND 04/67<br>> 44780 Bochum<br>> Germany<br>> Tel: +49 (0)234 32 28363<br>> Fax: +49 (0)234 32 14626<br>> E-Mail: cseifert@bph.rub.de<br>> Web: http://www.bph.rub.de<br>> <br>> _______________________________________________<br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://www.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/search before posting!<br>> Please don't post (un)subscribe requests to the list. Use the <br>> www interface or send it to gmx-users-request@gromacs.org.<br>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php<br><br /><hr />Express yourself instantly with MSN Messenger! <a href='http://clk.atdmt.com/AVE/go/onm00200471ave/direct/01/' target='_new'>MSN Messenger</a></body>
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