[gmx-users] AIX 5.3 compilation error

[David van der Spoel]

Marius Retegan wrote:
> Dear Gromacs users,
> I have problems compiling Gromacs on a IBM cluster P575 with Power5 cpus.
> I've used this flag for compilation
> ==================================
> #!/bin/ksh
> #export MPICC='mpcc_r -q64'
> export AR='ar -X 64'
> export CC='xlc_r -q64'
> export F77='xlf_r -q64'
> export CXX='xlC_r -q64'
> export OBJECT_MODE=64
> export FFLAGS='-O2 -qarch=pwr5 -qtune=pwr5 -qmaxmem=-1 -qstrict'
> export CFLAGS='-O2 -qarch=pwr5 -qtune=pwr5 -qmaxmem=-1 -qstrict'
> #export FFLAGS='-O4 -qmaxmem=-1 -qstrict'
> #export CFLAGS='-O4 -qmaxmem=-1 -qstrict'
> export LDFLAGS='-L/usr/local/lib'
> export CPPFLAGS='-I/usr/local/include'
> ./configure --enable-float --with-fft=fftw3
> --prefix=/p5cecic/home/mretegan/software/gromacs
> ==================================
> This is the error message
> ==================================
>        source='atomprop.c' object='atomprop.lo' libtool=yes
> DEPDIR=.deps depmode=aix /bin/sh ../../config/depcomp  /bin/sh
> ../../libtool --tag=CC --mode=compile xlc_r -q64 -DHAVE_CONFIG_H  -I.
> -I. -I../../src -I/usr/include   -I../../include
> -DGMXLIBDIR=\"/p5cecic/home/mretegan/software/gromacs/share/top\"
> -I/p5cecic/home/mretegan/software/fftw3/include   -O2 -qarch=pwr5
> -qtune=pwr5 -qmaxmem=-1 -qstrict -c -o atomprop.lo atomprop.c
> xlc_r -q64 -DHAVE_CONFIG_H -I. -I. -I../../src -I/usr/include
> -I../../include
> -DGMXLIBDIR=\"/p5cecic/home/mretegan/software/gromacs/share/top\"
> -I/p5cecic/home/mretegan/software/fftw3/include -O2 -qarch=pwr5
> -qtune=pwr5 -qmaxmem=-1 -qstrict -c -M atomprop.c -o atomprop.o
> "/usr/include/macros.h", line 44.10: 1506-236 (W) Macro name abs has
> been redefined.
> "/usr/include/macros.h", line 44.10: 1506-358 (I) "abs" is defined on
> line 497 of /usr/include/stdlib.h.
> "atomprop.c", line 120.7: 1506-045 (S) Undeclared identifier debug.
> make: 1254-004 The error code from the last command is 1.
> 
> 
> Stop.
> make: 1254-004 The error code from the last command is 1.
> 
> 
> Stop.
> make: 1254-004 The error code from the last command is 1.
> 
> 
> Stop.
> make: 1254-004 The error code from the last command is 2.
> 
> 
> Stop.
> make: 1254-004 The error code from the last command is 1.
> 
> 
> Stop.
> =================================
> Does anyone have an idea on how to solve this problem?
> Any help would be greatly appreciated.

gromacs also has a file called macros.h but this is not included, since 
apparently the system file is include. What you will have to do is:
rename macros.h to gmx_macros.h and change all include statements of 
macros.h to gmx_macros.h

> Thank you
> Marius Retegan
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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