[gmx-users] Error in analyzing traj.trr file using g_clustsize, etc.

A Taqia a_taqia at yahoo.com
Tue Sep 27 14:42:15 CEST 2011

Dear Gromacs experts,

I ran a Gromacs simulation (with Gromacs 4.5.4) on a BlueGene/P system and generated a trajectory file.  However, when I performed analysis on this file (traj.trr) (for example using g_clustsize), the following error was encountered:
Program trjconv_d, VERSION 4.5.1
Source code file: trnio.c, line: 68

Fatal error:
Float size 164738970. Maybe different CPU?
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

I used the post processing tool (g_clustsize) from different versions of Gromacs (4.5.4, 4.5.1, 4.0.x) on both the front end and back end nodes of the BlueGene.  I even tried using g_clustsize built on a Linux, but encountered the same error.  I was wondering if anyone can shed me some lights on how to resolve this problem.  Your assistance is greatly appreciated.

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