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.
Suffixes:
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.
SPEC:
https://cvs.fedoraproject.org/viewvc/devel/gromacs/gromacs.spec?view=log
--
------------------------------------------------------
Jussi Lehtola, FM, Tohtorikoulutettava
Fysiikan laitos, Helsingin Yliopisto
jussi.leht...@helsinki.fi, p. 191 50632
------------------------------------------------------
Mr. Jussi Lehtola, M. Sc., Doctoral Student
Department of Physics, University of Helsinki, Finland
jussi.leht...@helsinki.fi
------------------------------------------------------
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