[gmx-users] Gromacs Installation error

[aiswarya pawar]

Hi gromacs users,

Iam trying to install gromacs on IBM cluster. I have successfully installed
installed fftw-3.3 version with commands=

./configure --enable-threads --enable-float
make
make install

the set the enviroment=

setenv CPPFLAGS -I/home/fftw/include
setenv LDFLAGS -L/home/fftw/lib

Then the gromacs installation=

./configure --prefix=/home/gromacs --host=ppc --build=ppc64
--enable-mpi --with-fft=fftw3 MPICC="mpCC" CC="xlC_r -q64" CFLAGS="-O3
-qarch=ppc64 -qtune=auto" CXX="xlC_r -q64" CXXFLAGS="-O3 -qarch=ppc64
-qtune=auto" F77="mpixlf_r" FFLAGS="-O3 -qarch=ppc64 -qtune=auto"

the configure did well but while doing make mdrun i started getting
error such as=

source='vmdio.c' object='vmdio.lo' libtool=yes \
DEPDIR=.deps depmode=none /bin/sh ../../config/depcomp \
/bin/sh ../../libtool --tag=CC   --mode=compile mpCC -DHAVE_CONFIG_H
-I. -I../../src  -I../../include
-DGMXLIBDIR=\"/home/gromacs/share/top\" -I/home/include  -O3
-qarch=ppc64 -qtune=auto -c -o vmdio.lo vmdio.c
 mpCC -DHAVE_CONFIG_H -I. -I../../src -I../../include
-DGMXLIBDIR=\"/home/gromacs/share/top\" -I/home/include -O3
-qarch=ppc64 -qtune=auto -c vmdio.c -o vmdio.o
1506-503 (W) Option "-qlongdouble / -qldbl128" is not supported for
LINUX for Power.
"/usr/include/glob.h", line 166.34: 1506-276 (S) Syntax error:
possible missing identifier?
"/usr/include/glob.h", line 166.12: 1506-033 (S) Function
__REDIRECT_NTH is not valid. Function cannot return a function.
"/usr/include/glob.h", line 166.12: 1506-282 (S) The type of the
parameters must be specified in a prototype.
"/usr/include/glob.h", line 169.35: 1506-334 (S) Identifier glob_t has
already been defined on line 113 of "/usr/include/glob.h".
"/usr/include/glob.h", line 169.42: 1506-277 (S) Syntax error:
possible missing ';' or ','?
"/usr/include/glob.h", line 171.39: 1506-276 (S) Syntax error:
possible missing identifier?
"/usr/include/glob.h", line 171.13: 1506-282 (S) The type of the
parameters must be specified in a prototype.
"/usr/include/glob.h", line 171.13: 1506-343 (S) Redeclaration of
__REDIRECT_NTH differs from previous declaration on line 166 of
"/usr/include/glob.h".
"/usr/include/glob.h", line 171.13: 1506-050 (I) Return type "void" in
redeclaration is not compatible with the previous return type
"int(const char*,int)".
"/usr/include/glob.h", line 171.58: 1506-160 (S) Object globfree64
cannot be declared as type void.
"/usr/include/glob.h", line 175.12: 1506-343 (S) Redeclaration of
glob64 differs from previous declaration on line 169 of
"/usr/include/glob.h".
"/usr/include/glob.h", line 175.12: 1506-382 (I) The type "int(const
char* restrict,int,int(*)(const char*,int),struct {...}* restrict)" of
identifier glob64 differs from previous type "int".
make[2]: *** [vmdio.lo] Error 1
make[2]: Leaving directory `/home/gromacs-4.5.5/src/gmxlib'
make[1]: *** [all-recursive] Error 1
make[1]: Leaving directory `/home/gromacs-4.5.5/src/gmxlib'
(cd ./src/mdlib && make ; exit 0)
make[1]: Entering directory `/home/gromacs-4.5.5/src/mdlib'
make[1]: *** No rule to make target `../gmxlib/libgmx_mpi.la', needed
by `libmd_mpi.la'.  Stop.
make[1]: Leaving directory `/home/gromacs-4.5.5/src/mdlib'
(cd ./src/kernel && make mdrun ; exit 0)
make[1]: Entering directory `/home/gromacs-4.5.5/src/kernel'
/bin/sh ../../libtool --tag=CC   --mode=link mpCC  -O3 -qarch=ppc64
-qtune=auto -no-undefined -version-info 6:0:0
-L/home/staff/sec/secdpal/soft/lib  -o libgmxpreprocess_mpi.la -rpath
/home/gromacs/lib add_par.lo compute_io.lo convparm.lo fflibutil.lo
gen_ad.lo gen_vsite.lo genhydro.lo gpp_atomtype.lo
gpp_bond_atomtype.lo h_db.lo hackblock.lo hizzie.lo pdb2top.lo
pgutil.lo readir.lo readpull.lo resall.lo sorting.lo specbond.lo
ter_db.lo tomorse.lo topdirs.lo topexcl.lo topio.lo toppush.lo
topshake.lo toputil.lo tpbcmp.lo vsite_parm.lo xlate.lo
../mdlib/libmd_mpi.la -lnsl -lm
libtool: link: cannot find the library `../mdlib/libmd_mpi.la' or
unhandled argument `../mdlib/libmd_mpi.la'
make[1]: *** [libgmxpreprocess_mpi.la] Error 1
make[1]: Leaving directory `/home/gromacs-4.5.5/src/kernel'

please help!

Aiswarya
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