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On 27/09/2011 10:42 PM, A Taqia wrote:
<blockquote
cite="mid:1317127335.45248.YahooMailNeo@web30602.mail.mud.yahoo.com"
type="cite">
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<div>Dear Gromacs experts,</div>
<div><br>
</div>
<div>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:</div>
<div>-------------------------------------------------------<br>
Program trjconv_d, VERSION 4.5.1<br>
Source code file: trnio.c, line: 68<br>
<br>
Fatal error:<br>
Float size 164738970. Maybe different CPU?<br>
For more information and tips for troubleshooting, please
check the GROMACS<br>
website at <a class="moz-txt-link-freetext" href="http://www.gromacs.org/Documentation/Errors">http://www.gromacs.org/Documentation/Errors</a><br>
-------------------------------------------------------</div>
<div><br>
</div>
<div>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.</div>
</div>
</blockquote>
<br>
The simplest explanation for the symptoms is that your trajectory
file is corrupt somehow - most likely because of something someone
did to the file, or to the file system. The size of a .trr file is
linear in the number of frames, so if you can run a short version of
the simulation separately, you can estimate how big this file should
have been. gmxcheck is available to probe the integrity of the file,
but I expect it will also simply tell you something is
catastrophically wrong.<br>
<br>
Mark<br>
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