[gmx-users] Floating point exception in xtc file

Marc Baaden baaden at smplinux.de
Thu Jan 9 16:21:35 CET 2003


I just encountered an error I haven't seen reported on the mailing
list (lest I did a stupid error in my search). When running gmxcheck
on the xtc file, it complains

Checking file md_prod3.xtc
Reading frame       0 time 5000.000
# Atoms  69953
Precision 0.001 (nm)
Reading frame    2110 time 7110.000   Floating point exception

apart from that, the simulation seems to have gone well and to have

Anybody had a similar error ? A suggestion to "fix" the xtc file ?

 From past - unrelated - messages I would guess, maybe an NFS problem
during write, that was not bad enough to crash the simulation ? Any
other ideas ?

Should I throw it away or keep it ? (the dynamics was 7500 long, so I'd
feel comfortable continuing with the final gro  file).

Thanks in advance,

 Dr. Marc Baaden  - Institut de Biologie Physico-Chimique, Paris
 mailto:baaden at smplinux.de      -      http://www.marc-baaden.de
 FAX: +49 697912 39550  -  Tel: +33 15841 5176 ou +33 609 843217

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