[gmx-users] run gromacs on a single machine with mutiple CPUs
Seaclear Theory
oceanclear at gmail.com
Thu Dec 21 10:14:59 CET 2006
Will work on it. Thanks.
Ocean
On 12/21/06, David van der Spoel <spoel at xray.bmc.uu.se> wrote:
>
> Seaclear Theory wrote:
> > I believed the case that single machine with multiple processors (like
> > Dell server with 2 due core CPUs) should be very popular for end user.
> > Because not everyone can offer a 32 nodes cluster or has access to
> > supercomputer center.
> >
> > Could we have detail tutorial for "run gromacs on single machine with
> > multiple processors" Thanks.
> >
> > Best,
> >
> By now you know how to do it, so if you write the tutorial (also for
> clusters please) I will put it on the website.
>
> --
> David.
> ________________________________________________________________________
> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596, 75124 Uppsala, Sweden
> phone: 46 18 471 4205 fax: 46 18 511 755
> spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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