[gmx-users] Gromacs installation
Maira d'Alessandro
m.dalessandro at caspur.it
Mon Nov 10 18:10:01 CET 2003
Hi!
we installed Gromacs on a cluster with myrinet but it doesn't work with PME, and
it work well with cut-off.
is there somebody who found this problem or have some idea?
thanks
--
Maira D'Alessandro
e-mail : m.dalessandro at caspur.it
Post-Doc researcher
University of Rome "Tor Vergata"
Dep. of Chemical Science and Technology
Viale della Ricerca Scientifica, 00133 Roma
tel 0039(0)672594905
Scrive Gerrit Groenhof <G.Groenhof at chem.rug.nl>:
> >
> > On Fri, 2003-11-07 at 13:30, Maira d'Alessandro wrote:
> > > Hi!
> > > do you know if, and eventually how, is it possible to install Gromacs
> package
> > > onto a pc cluster with MYRINET connection?
> > you'll need an MPI package that supports it. gromacs has nothing to do
> > with the hardware. I think MPICH supports it.
>
> And I believe also lam-7.0.2 supports Myrinet now.
>
> > > thanks
> > > maira
> > --
> > David.
> > ________________________________________________________________________
> > David van der Spoel, PhD, Assist. 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://xray.bmc.uu.se/~spoel
> > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> >
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