[gmx-users] Increase temperature to 550K

Chih-Ying Lin chihying2008 at gmail.com
Tue Nov 10 16:12:22 CET 2009


HI
The simulation system is merely water + one lysozyme.
I increase temperate to 550K.

Then, the simulation broke.
The following message is shown.

MX:hpc0011:Remote endpoint is closed, peer=00:60:dd:48:14:5b (hpc0010:0)
mpiexec: Warning: task 0 exited with status 1.
mpiexec: Warning: tasks 1-2 died with signal 9 (Killed).
mpiexec: Warning: task 3 died with signal 11 (Segmentation fault).


Anything wrong with the simulation?

Thank you
Lin



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