[gmx-users] Gromacs-mpi with Rocks v4.0

David van der Spoel spoel at xray.bmc.uu.se
Fri Jun 9 21:52:53 CEST 2006

Francisco Tufró wrote:
> Hello list,
> My name is Francisco and I'm configuring a cluster to run gromacs using mpi.
> As far as i concern i have to install both gromacs and gromacs-mpi. The 
> question is: do i have to install it on every cluster machinne?
> i have made some tests and it seems that the answer is yes, but i would 
> like to ask to you before continuing.
> If anyone has successfuly configured gromacs-mpi (i'm using the rocks 
> cluster 4.0) please contactme to share the experience.
> Thanks!

That's probably the most common combination.
You just need one version of gromacs
./configure --enable-mpi

> Francisco Tufró.
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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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