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<DIV>Try running mdrun with -nice 0.<BR> </DIV>Regards,<BR>Yang Ye
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<DIV style="FONT-SIZE: 12pt; FONT-FAMILY: times new roman, new york, times, serif">----- Original Message ----<BR>From: David van der Spoel <spoel@xray.bmc.uu.se><BR>To: Discussion list for GROMACS users <gmx-users@gromacs.org><BR>Sent: Monday, September 10, 2007 3:31:35 PM<BR>Subject: [gmx-users] [Fwd: Oueries]<BR><BR>
<DIV>-------- Original Message --------<BR>Subject: Oueries<BR>Date: Mon, 10 Sep 2007 08:08:40 +0100 (BST)<BR>From: Moutusi Manna <mou2c_21@yahoo.co.in><BR>To: spoel@xray.bmc.uu.se<BR><BR><BR><BR>Hi,<BR> I have started using GROMACS recently. As per information GROMACS is<BR>the fasted MD pacage . But, when I perform "mdrun" it takes only "1-10%"<BR>of CPU % & as a result job becomes very slow .<BR> Please suggest how I can increase the speed of simulation
.<BR> Thanks,<BR><BR> Moutusi<BR><BR>------------------------------------------------------------------------<BR>Get the freedom to save as many mails as you wish. Click here to know<BR>how.<BR><<A href="http://in.rd.yahoo.com/tagline_mail_5/*http://help.yahoo.com/l/in/yahoo/mail/yahoomail/tools/tools-08.html/"
target=_blank>http://in.rd.yahoo.com/tagline_mail_5/*http://help.yahoo.com/l/in/yahoo/mail/yahoomail/tools/tools-08.html/</A>> <BR><BR><BR><BR>-- <BR>David van der Spoel, Ph.D.<BR>Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.<BR>Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.<BR>spoel@xray.bmc.uu.se spoel@gromacs.org <A href="http://folding.bmc.uu.se/" target=_blank>http://folding.bmc.uu.se</A><BR>_______________________________________________<BR>gmx-users mailing list gmx-users@gromacs.org<BR><A href="http://www.gromacs.org/mailman/listinfo/gmx-users" target=_blank>http://www.gromacs.org/mailman/listinfo/gmx-users</A><BR>Please search the archive at <A href="http://www.gromacs.org/search" target=_blank>http://www.gromacs.org/search</A> before posting!<BR>Please don't post (un)subscribe requests to the list. Use the
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