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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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