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

[David van der Spoel]

On Wed, 13 Mar 2002, Lynne E. Bilston wrote:

>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 ;-)
This means the compiler is inserting another name for a field in
a structure (pow is usually a function to calculation the power of a base
to an exponent). Since it is in the structure it should be allowed
to have a field pow according to the C syntax, but it is easiest to
rename it to something similar.

>>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!
Good! That means you can debug it:
after the crash you write:
dbx `which g_energy`
dbx>where
 ... lots of output ...
dbx>quit

then you forward the output to the list.

>Also, I tried Bert de Groot's alpha binaries and got the same error in 
>g_energy :-(
It can be the code or the energy file. You have not by any chance produced
this energy file with a gromacs beta version?

Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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