[gmx-users] question about GROMACS installation on cluster

[Roland Schulz]

See here:
http://www.gromacs.org/index.php?title=Download_%26_Installation/Installation_Instructions

(You don't need to change any files - instead you call ./configure
--enable-mpi)

On Fri, Feb 26, 2010 at 8:49 AM, Andrew Voronkov <drugdesign at yandex.ru>wrote:

> You will need an up to date version of MPI or PVM. Set USE_MPI or USE_PVM
> to yes in your Makefile.$GMXCPU and type:
> cd $GMXHOME/src
>
> in which file should i type this? I can find makefile.in and makefile.amin the distribution directory where I unpack GROMACs and in the src
> directory. Which of them should I use? I haven't found USE_MPI in any of
> these two files. Please, can youi specify in which files should I find this
> USE_MPI?
>
> The GROMACS distribution is GROMACS-4.05
>
> PS should be environment somehow dirrefent for GROMACs when it is installed
> on clusteR?
>
>
> Best regards,
> Andrew
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