[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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