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

Lynne E. Bilston l.bilston at unsw.edu.au
Wed Mar 13 00:03:47 CET 2002

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

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