Subject: Re: Re: [gmx-users] Gromacs 4 bug?

Jussi Lehtola jussi.lehtola at
Wed Jan 14 13:18:02 CET 2009

On Wed, 2009-01-14 at 12:27 +0100, Berk Hess wrote:
> Hi,
> We have for now concluded that this is probably an issue related to
> lam7.1.4.
> There were a few other users with mdrun crashes/hangs.
> What it the status of your problems?

You can try with the version in Fedora, which is debuggable and compiled
against OpenMPI.

 # yum -y install gromacs gromacs-mpi

All binaries have been renamed to start with g_, e.g. g_grompp, g_mdrun
and so on.

	g_mdrun		single precision version
	g_mdrun_d	double precision version
	g_mdrun_mpi	single precision, MPI version
	g_mdrun_mpi_d	double precision, MPI version

PS. Could somebody please add the Fedora specifics to the installation
part of the webpage? At least switching to new SRPMS would be good. Feel
free to use my spec and include it in the GROMACS source distribution.

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

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