[gmx-users] Re: gromacs installation (some broken links in wiki?)
ckutzne at gwdg.de
Fri Jan 4 08:49:23 CET 2008
In principle the installation instructions for gromacs should be
but for some reason the link does not work. (It seems that the first
two links "GROMACS" and "Instructions" in the "documentation" field
in the gromacs wiki are broken).
So until the links are repaired again, here is a short version:
Prior to installing gromacs, the fftw needs to be installed. After
that, set the following environment variables:
After unzipping & untarring the gmx code, configure and compile gromacs:
./configure --prefix=/path/to/install/gmx/in --without-x --enable-mpi
This assumes that an "mpicc" compiler is in your path. You might have
to additionally set the path to your mpi lib / include directory in
the LDFLAGS / CPPFLAGS variables.
This should to the trick.
Am 03.01.2008 um 17:56 schrieb mahdi fathi:
> Dear Dr Carsten Kutzner
> I want install gromacs on 4 machines at my small lab
> but I couldnt find clear instructions for parallel instalation on
> can you please introduce me a resource for parallel installation
> very very thank you
> yours truly mahdi
> The best games are on Xbox 360. Click here for a special offer on
> an Xbox 360 Console.
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