[gmx-users] Gromacs-mpi with Rocks v4.0
mark.abraham at anu.edu.au
Sat Jun 10 02:45:52 CEST 2006
> David, thanks for answering.
> strange. i've installed one version of gromacs on the front end machinne
> when it tries to run mprun_mpi it says that cannot find it (obvously
> is searching on a node that is not the frontend machinne).
> Where can i find a step by step example of working with gromacs-mpi???
> I'm the administrator of the cluster and know nothing about molecules :(
It sounds like your problem is installing software on Rocks clusters, not
with gromacs. I think a tutorial on the former would be more helpful than
one on the latter.
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