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. thanks, --Abe
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