[gmx-users] floating exceptions in g_energy (v3.1)
David van der Spoel
spoel at xray.bmc.uu.se
Wed Mar 13 09:45:33 CET 2002
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
>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`
... lots of output ...
then you forward the output to the list.
>Also, I tried Bert de Groot's alpha binaries and got the same error in
It can be the code or the energy file. You have not by any chance produced
this energy file with a gromacs beta version?
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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