[gmx-users] floating exceptions in g_energy (v3.1)

Erik Lindahl lindahl at stanford.edu
Tue Mar 12 02:26:37 CET 2002

Lynne E. Bilston wrote:

> Hi everyone,
> To continue with my floating exception theme, I'm now getting floating 
> exceptions every time I try to run g_energy from v 3.1. v 3.0 works fine.
> Erik if you're reading, this is the same problem I had with the 3.1 
> beta. It backs up the old .xvg file, then reads a frame and dies with 
> a floating exception.
> I'm running gromacs on a Digital Alpha running Tru64 unix v5
> Has anyone else had this problem? Could it be a compiler problem? I 
> seem to get these floating exceptions quite often...
> Can I run the v3.0 of g_energy with v3.1 of everything else? 

Hi Lynne (& Berk),

You might want to try the updated 3.1.1 source - we fixed a mistake 
where environment variables could be overwritten, but I don't think 
that's causing your problems.

You could also try to select a lower level of optimization by setting 
CFLAGS to e.g. "-g" before running configure, but if version 3.0 worked 
I really doubt it is a compiler bug (although we've seen quite a few of 
those ...).

Do I get you right that it is only g_energy that fails and all other 
programs work?

In the meantime it should work perfectly ok to use g_energy from 3.0, as 
long as you're not trying to analyze orientational restraints...

Berk, do you have any idea what it could be? I'm cc:ing you since you're 
almost the only one who has checked in changes to g_energy since 3.0 (it 
could of course be the libraries too).



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