[gmx-users] Troubleshooting Generic Floating Point Exception Errors

[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