[gmx-users] [Fwd: Oueries]

[Yang Ye]

Try running mdrun with -nice 0.
 
Regards,
Yang Ye



----- Original Message ----
From: David van der Spoel <spoel at xray.bmc.uu.se>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Monday, September 10, 2007 3:31:35 PM
Subject: [gmx-users] [Fwd: Oueries]


-------- Original Message --------
Subject:     Oueries
Date:     Mon, 10 Sep 2007 08:08:40 +0100 (BST)
From:     Moutusi Manna <mou2c_21 at yahoo.co.in>
To:     spoel at xray.bmc.uu.se



Hi,
     I have started using GROMACS recently. As per information GROMACS is
the fasted MD pacage . But, when I perform "mdrun" it takes only "1-10%"
of CPU % & as a result job becomes very slow .
     Please suggest how I can increase the speed of simulation .
                              Thanks,

                                                            Moutusi

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-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:    +46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://folding.bmc.uu.se
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