[gmx-users] Installation of Gromacs 3.1.3 on IBM RS/6000
spoel at xray.bmc.uu.se
Tue Sep 10 19:14:21 CEST 2002
On Tue, 2002-09-10 at 17:29, wnoon at rice.edu wrote:
> 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
> 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
> "/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.
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:
the crux is that the GROMACS include should come before the /usr/include
> gmx-users mailing list
> gmx-users at gromacs.org
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
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
More information about the gromacs.org_gmx-users