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

[Lynne E. Bilston]

Dear Erik and 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.

I can't seem to compile the v 3.1.1 source using the standard options, I 
get a stop, with the following error:
cc: Error: orires.c, line 268: In this statement, "F_pow" is not a member 
of "ip[type].orires". (needmember)
     for(i=0; i<ip[type].orires.pow; i++)

I have no idea what this means ;-)

>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 ...).

With the -g compiler option v3.1.1 compiles, but I get the same floating 
exception in g_energy. I'm happy to try the debugging, as per Berk's 
suggestion, if someone tells me how to do it!

Also, I tried Bert de Groot's alpha binaries and got the same error in 
g_energy :-(

-Lynne



________________________________________________________________________________
Lynne E. Bilston, PhD
Senior Scientist, Prince of Wales Medical Research Institute, and
Conjoint Associate Professor, Faculty of Medicine, University of New South 
Wales
Barker St, Randwick, NSW 2031 Australia
Tel: +61-2-9382-7924	Fax: +61-2-9382-2643
________________________________________________________________________________