[gmx-users] Floating point exception in xtc file

David spoel at xray.bmc.uu.se
Thu Jan 9 15:52:06 CET 2003

On Thu, 2003-01-09 at 16:21, Marc Baaden wrote:
> Hi,
> 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
> finished.
> Anybody had a similar error ? A suggestion to "fix" the xtc file ?
It depends whether it is broken. Try reading it again on another machine
with or without NFS. I have seen such things on a machine with broken
hardware. The question is whether this error occurred during writing the
trajectory or during gmxcheck.

If it is reproducible on different machine, chances are your file is
broken. Check the hardware used for generating it.

Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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