<div>Hi GMX-Users,<br> </div>
<div>Does anyone have any idea about the problem? Thanks a lot in advance.</div>
<div><br>I got an error message when using gromacs on 2 processors on the same computer.<br>The error message is like this:<br>_________________________________________________________________<br>splitting topology...<br>
Walking down the molecule graph to make shake-blocks<br>There are 24390 charge group borders and 26054 shake borders<br>There are 24390 total borders<br>Division over nodes in atoms:<br> 21234 21234<br>-------------------------------------------------------
<br>Program grompp_d, VERSION 3.3<br>Source code file: splitter.c, line: 121<br><br>Fatal error:<br>Shake block crossing node boundaries<br>constraint between atoms (21226,21234)<br>-------------------------------------------------------
<br>________________________________________________________________<br>I used h-bonds constraints. I tried not<br>to without constraints and the system can be ran on 2 processors well, but the time-step is small then.</div>