[gmx-users] REMD problems

Berk Hess gmx3 at hotmail.com
Fri Jun 6 09:48:42 CEST 2008


There should be an error message with what does not match
in your log files.


Date: Thu, 5 Jun 2008 15:41:50 -0300
From: nolasco1980 at gmail.com
To: gmx-users at gromacs.org
Subject: [gmx-users] REMD problems

Dear gmx-users,

I am facing some problems with replica exchange.
Few seconds after the job submission it ends with the error below:

Error on node 0, will try to stop all the nodes
Halting parallel program mdrun on CPU 0 out of 8

Program mdrun, VERSION 3.3.3
Source code file: main.c, line: 177

Fatal error:
The 8 subsystems are not compatible

I am using a single topology for all configurations, but it still doesn't work.

Does anyone have any tip over this problem?

Thanks in advance,

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