[gmx-users] Error during mdrun
mark.abraham at anu.edu.au
Tue Jan 9 12:40:59 CET 2007
> Dear all,
> At times during the md run of my peptide, the run crashes and I get the
> following error displayed -
> "Wrote pdb files with previous and current coordinates
> Wrote pdb files with previous and current coordinates
> MPI process rank 0 (n0, p3089) caught a SIGSEGV.
> MPI process rank 1 (n0, p3090) caught a SIGSEGV."
We'll need more information from the output to be sure, but I suspect if
you look just before this part of the logfile, you'll see LINCS errors,
indicating you probably haven't minimized or equilibrated well enough.
More information about the gromacs.org_gmx-users