[gmx-users] How to exit cluster during the simulation

Monoj Mon Kalita mon.123chem at gmail.com
Mon Jun 16 05:44:55 CEST 2014

It is not clear what you want to do.

If you want to come out of the cluster using that terminal then simply type
*exit* or *logout* and you will come out of the cluster.

If you are trying to kill the job then type *bjobs* and then you will get
the job i.d. , for example it is a number 1234, then type *bkill 1234*. It
will stop the job. You can always check your simulation status from the
.log file. Simply type *tail -500 md.log*. It will show you the last 500
lines from the log file. You will see how much simulation time it has
finished and when for the last time it wrote the checkpoint. Usually
gromacs updates the checkpoint in the .log file very frequently.

Good luck.


 Monoj Mon Kalita
Taipei, Taiwan

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