[gmx-users] Installation of Gromacs 3.1.3 on IBM RS/6000

[David]

On Tue, 2002-09-10 at 17:29, wnoon at rice.edu wrote:
> hi,
>   I'm installing gromacs on an IBM "Regatta."  A previous message discussed 
> installation problems due to an inconsistency in the IBM include files.  I 
> had the exact same problem and therefore used the --disable-largefile option 
> to get around the issue.  Unfortunately, I get a new error shown below.  Any 
> suggestions?
>   Thanks, William Noon
> 
> mpicc -DHAVE_CONFIG_H -I. -I. -I../../src -I/usr/include -I../../include -
> DGMXLIBDIR=\"/home/ma/wnoon/exec/gromacs/share/top\" -
> I/home/ma/wnoon/exec/fftw/include -I/home/ma/wnoon/exec/mpi/include -O3 -
> qarch=pwr3 -qtune=pwr3 -qmaxmem=16384 -c -M atomprop.c
> 
> "/usr/include/macros.h", line 30.10: 1506-236 (W) Macro name abs has been 
> redefined.
> "/usr/include/macros.h", line 30.10: 1506-358 (I) "abs" is defined on line 
> 372 of /usr/include/stdlib.h.
> "atomprop.c", line 79.11: 1506-045 (S) Undeclared identifier debug.
> ...etc.

Apparently there is a system include file called "macros.h"
GROMACS also has one, but the order of including is the other way
around. Try to compile using:
make CFLAGS+="-I../../include"
the crux is that the GROMACS include should come before the /usr/include
> 
> 
> 
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-- 
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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