[gmx-users] Troubleshooting Generic Floating Point Exception Errors

[David van der Spoel]

Den 2020-03-09 kl. 20:14, skrev Travis Meyer:
> Hello all,
> 
> I am a very new user to GROMACS and MD simulations in general. While going through some tutorials and other test simulations I've been getting some floating point exception errors. I recognize that there are a vast number of problems that could be causing this - I am not looking for any solutions to a specific problem, but am mostly wondering if there is a good procedure for troubleshooting these errors. Are there a couple of most-likely culprits which I should check first?
> 
> Thanks in advance!
> Travis
> 
> 
> Travis Meyer, Ph.D.
> INSPIRE Postdoctoral Fellow
> Gormley Lab, Rutgers University
> 
These are rather uncommon unless you have truly unphysical setups (e.g. 
due to a unit problem) or broken hardware. Hard to tell based on your 
mail unfortunately.

-- 
David van der Spoel, Ph.D., Professor of Biology
Head of Department, Cell & Molecular Biology, Uppsala University.
Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
http://www.icm.uu.se