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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