Thanks for the suggestion, I should have mentioned Tcoupl and Pcoupl in my previous post. I changed them from Nose-Hoover/Parrinello-Rahman to V-rescale/Berendsen and one permutation mixing the two, but it crashed all the same.
The nodes have at least 8 GB of ram and free -m shows that I'm not running out, even when it gets close to the magical 1.07 us. I'm currently running a 2 us NVT simulation with CS2 and PME. Do you have any other thoughts as to options I can change to narrow this down? Perhaps a third coulombtype? Thanks in advance. -- View this message in context: http://gromacs.5086.n6.nabble.com/Diatomic-in-MeCN-NPT-NH-and-PR-simulation-segfaults-after-1-us-tp5001845p5002711.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
