[gmx-users] Gromacs Installation troubles

[Jussi Lehtola]

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).

Example:

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.
-- 
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Jussi Lehtola, FM, Tohtorikoulutettava
Fysiikan laitos, Helsingin Yliopisto
jussi.lehtola at helsinki.fi, p. 191 50632
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Mr. Jussi Lehtola, M. Sc., Doctoral Student
Department of Physics, University of Helsinki, Finland
jussi.lehtola at helsinki.fi
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