[gmx-users] GROMACS exit codes; error in LAM installation?

Mark Abraham Mark.Abraham at anu.edu.au
Thu Dec 7 23:27:37 CET 2006

Alan Dodd wrote:
> Hello,
> (background)
> I recently compiled a new version of the 3.2.1 mdrun to make use of the lam 7.1.2 that's just been installed.  For some reason, I can't get a run to work with it - it goes fine until:
> Back Off! I just backed up enerG.edr to ./#enerG.edr.1#
> starting mdrun '?'
> 1430000 steps,   2145.0 ps.
> whereupon one of the processes (always n3, no matter which physical machine it is) exits for no obvious reason.
> The signal given is 11 - I can't find reference to this in the Gromacs or lam source, so I don't know what it means.  Cranking up the verbosity on everything I can sheds no further light on it.  I'm guessing I did something not quite right in the installation, but without more information, there's no way to know how to fix it.
> Anyway:
> So, does anyone know what this exit code means?  (and, ideally, how to avoid it...)

I'd do a re-install of MPI, FFTW and GROMACS, and upgrade to GROMACS 
version 3.3.1 while I was at it :-)


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