RE: [gmx-users] The right way of killing Gromacs

From: kobi <[EMAIL PROTECTED]> Reply-To: Discussion list for GROMACS users To: Discussion list for GROMACS users 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 md

Re: [gmx-users] The right way of killing Gromacs

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 si

[gmx-users] The right way of killing Gromacs

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 q