[gmx-users] Re: writing checkpoint

Berk Hess gmx3 at hotmail.com
Wed Nov 5 12:39:09 CET 2008


Why do the log file seem to stop?
It keeps writing checkpoint info, right?
So I assume it is still running fine.

But it seems you have selected checkpointing at (nearly) every step.
Did you use -cpt 0?
If you don't want checkpoints, you have to set -cpt -1.


Date: Wed, 5 Nov 2008 06:10:03 -0500
From: xianghong001 at gmail.com
To: gmx-users at gromacs.org
Subject: [gmx-users] Re: writing checkpoint

Hello, all:
I got a message when I run my simulation: 
Writing checkpoint, step 100200 at Wed Nov  5 05:22:42 2008
Writing checkpoint, step 100210 at Wed Nov  5 05:22:46 2008
Writing checkpoint, step 100220 at Wed Nov  5 05:22:51 2008
Writing checkpoint, step 100230 at Wed Nov  5 05:22:55 2008
Writing checkpoint, step 100240 at Wed Nov  5 05:23:00 2008
.log file seems stop, but simulation is still running, and I can see
.xtc , .edr file are growing.  Does anyone has some idea about this
situation?  Thanks in advance. 
-Xianghong Qi
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