Thank you so much for all the helpful response. On Wed, May 6, 2009 at 4:59 PM, Mark Abraham <mark.abra...@anu.edu.au>wrote:
> Yanmei Song wrote: > >> Dear All: >> >> I just installed the gmx_4.0.4 double precision. >> >> When I do EM, the grompp_d command has no problem. However after I submit >> the job, it gives me the following error. Anyone can tell me what is the >> problem which may cause that? >> > > You're using a new .tpr with an old mdrun. > > By the way, in 4.0.4, it can only use 4 CPU, right? >> > > No. > > Can we still specify how much CPU we want to use by -np? >> > > As an argument to mdrun yes, as an argument to grompp, no. > > Mark > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Yanmei Song Department of Chemical Engineering ASU
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