[gmx-users] Gromacs Installation troubles

Jussi Lehtola jussi.lehtola at helsinki.fi
Tue Nov 18 11:07:14 CET 2008

On Tue, 2008-11-18 at 09:39 +0100, Antoine Migeon wrote:
> Hello,
> I have many problem for install Gromacs in Centos 5.2, without MPI for
> the moment.
> I tried you solution, but the package contain only binary prefixed by
> "g_", and the test set doesn't find grompp.
> (after source /usr/bin/GMXRC)
> What the problem ?

All of the binaries have been renamed to begin with g_, so grompp is
g_grompp, and mdrun is g_mdrun.

Double precision binaries are suffixed _d. MPI binaries are suffixed
_mpi (_mpi_d for double precision).


g_mdrun (single precision)
g_mdrun_d (double precision)
g_mdrun_mpi (single precision, MPI)
g_mdrun_mpi_d (double precision, MPI)

You don't have to source GMXRC, it is done automatically.
Jussi Lehtola, FM, Tohtorikoulutettava
Fysiikan laitos, Helsingin Yliopisto
jussi.lehtola at helsinki.fi, p. 191 50632
Mr. Jussi Lehtola, M. Sc., Doctoral Student
Department of Physics, University of Helsinki, Finland
jussi.lehtola at helsinki.fi

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