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Hi,<br><br>That is not exactly correct.<br>In 4.0 you only need to supply -np to mpirun for running mdrun.<br>Already in 3.3 there was no -np option in mdrun,<br>but in 3.3 and 4.0 mdrun does not complain about non-existent options.<br><br>Berk<br><br>> From: x.periole@rug.nl<br>> To: gmx-users@gromacs.org<br>> Subject: Re: [gmx-users] about the run program in gromacs 4.0.3<br>> Date: Mon, 26 Jan 2009 10:54:01 +0100<br>> <br>> in the gmx-4.X versions you do not need to specify the number of CPU t<br>> grompp but only to mdrun ...<br>> On Jan 26, 2009, at 10:29 AM, anirban polley wrote:<br>> <br>> > Hi,<br>> > I have run earlier in gromacs3.3.x version in parallel processor<br>> > but now I have installed gromacs4.0.3. But when I want to run program<br>> > in the gromacs4.0.3, it says that<br>> > ...............................................<br>> > Invalid command line argument:<br>> > -np<br>> > ...............................................<br>> > I am surprise by seeing it because I have run the same in older<br>> > version by writing<br>> > /home/anirban/gromacs/grompp -np 8 -f grompp.mdp -p topol.top -c<br>> > pr.gro -o pr.tpr<br>> ><br>> > Can you tell me what the wrong in the new version is? Why does the new<br>> > version of gromacs could not connect nodes and says that -np does not<br>> > valid.<br>> > Regards,<br>> > Anirban<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 <br>> > 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>> _______________________________________________<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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