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

Thomas C. O'Connor toconnor at jhu.edu
Sun Jun 15 06:12:10 CEST 2014


I think this is more of a question about Linux use and process management.
One option in Linux is to use "screens" with the "screen" program.  You can
create a screen, start your run, and then detach the screen.  The screen
will persist on your cluster after putty closes,  and you can reattach to
it later.
On Jun 14, 2014 11:58 PM, "Batdorj Batsaikhan" <batsaikhanbat at yahoo.com>
wrote:

> Dear GMX users,
>
> I am a new user of gromacs on cluster. I use putty to connect to the
> cluster. I have a problem. How to exit cluster during the simulation?
>
> My last command is " mpirun -np 8 mdrun_mpi ... "
>
> in the past,  I clicked "X" button of putty, mdrun did not finished.
>
> Thank you.
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