Hi,

mdrun finishes on the next step when receiving TERM, and on the next multiple of nstxout when receiving USR1.

On some systems, the USR1/SIGHUP is only sent to the parent MPI program, not the actual mdrun process, and then there isn't much we can do.

In your case, try altering the signals in src/kernel/md.c and see if you get it working if you change both signals to cause an exit on the next step.

Cheers,

Erik


On Sep 15, 2006, at 11:33 AM, kobi wrote:

Hello,

the runtime of our cluster is unfortunately limited. Before mdrun is terminated a USR1 signal is send, but this doesn't cause mdrun to writeout the current frame. Therefore most of the trajectory is lost. I'd like to write a skrip which converts the USR1 sinal to some other signal. The question is, which signal would cause mdrun to write out all data and terminate it afterwards?

best regards
Jan Neumann
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