[gmx-users] floating exceptions in g_energy (v3.1)
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
Do I get you right that it is only g_energy that fails and all other
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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