From: kobi <[EMAIL PROTECTED]>
Reply-To: Discussion list for GROMACS users <gmx-users@gromacs.org>
To: Discussion list for GROMACS users <gmx-users@gromacs.org>
Subject: [gmx-users] The right way of killing Gromacs
Date: Fri, 15 Sep 2006 11:33:27 +0200
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?
mdrun -h explains it.
The USR1 signal is what you want, but it should NOT be sent to the master
process
that spawned the others, and you want to send it in time, that is long
enough
before the queue time ends so you can reach the next nstvout step.
Berk.
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
