Mark, That was a typo in the second paragraph. I meant: " When I run the exact same system from the same starting conditions using my PARALLEL built executable on two processors, I get the following error after running for over a half million timesteps"
And by the way this error will happen after different ps of simulation from starting conditions when I use different number of processor (obviously as the trajectories will be different). And each time the ci value is just "barely" out of range. I saw in another posting about this ci problem that it could have to do with the pressure coupling.. Any suggestions -Dina dtmirij wrote: > Hello everyone, > > I am running starting from a minimized/equilibrated structure. > When I run the the system with my serial built executable, it runs fine and > the energies and pressures look fine. > > When I run the exact same system from the same starting conditions using my > serial built executable on two processors, I get the following error after > running for over a half million timesteps: How do you run a serial build executable on two processors? Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
