Hi gromacs users,<br><br>Iam trying to install gromacs on IBM cluster. I have successfully installed installed fftw-3.3 version with commands=<br><br><pre>./configure --enable-threads --enable-float<br>make<br>make install <br>
<br>the set the enviroment=<br></pre><pre>setenv CPPFLAGS -I/home/fftw/include<br>setenv LDFLAGS -L/home/fftw/lib<br><br>Then the gromacs installation=<br><br>./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"<br>
<br>the configure did well but while doing make mdrun i started getting error such as=<br><br>source='vmdio.c' object='vmdio.lo' libtool=yes \<br>DEPDIR=.deps depmode=none /bin/sh ../../config/depcomp \<br>
/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<br>
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<br>1506-503 (W) Option "-qlongdouble / -qldbl128" is not supported for LINUX for Power.<br>
"/usr/include/glob.h", line 166.34: 1506-276 (S) Syntax error: possible missing identifier?<br>"/usr/include/glob.h", line 166.12: 1506-033 (S) Function __REDIRECT_NTH is not valid. Function cannot return a function.<br>
"/usr/include/glob.h", line 166.12: 1506-282 (S) The type of the parameters must be specified in a prototype.<br>"/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".<br>
"/usr/include/glob.h", line 169.42: 1506-277 (S) Syntax error: possible missing ';' or ','?<br>"/usr/include/glob.h", line 171.39: 1506-276 (S) Syntax error: possible missing identifier?<br>
"/usr/include/glob.h", line 171.13: 1506-282 (S) The type of the parameters must be specified in a prototype.<br>"/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".<br>
"/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)".<br>"/usr/include/glob.h", line 171.58: 1506-160 (S) Object globfree64 cannot be declared as type void.<br>
"/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".<br>"/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".<br>
make[2]: *** [vmdio.lo] Error 1<br>make[2]: Leaving directory `/home/gromacs-4.5.5/src/gmxlib'<br>make[1]: *** [all-recursive] Error 1<br>make[1]: Leaving directory `/home/gromacs-4.5.5/src/gmxlib'<br>(cd ./src/mdlib && make ; exit 0)<br>
make[1]: Entering directory `/home/gromacs-4.5.5/src/mdlib'<br>make[1]: *** No rule to make target `../gmxlib/<a href="http://libgmx_mpi.la">libgmx_mpi.la</a>', needed by `<a href="http://libmd_mpi.la">libmd_mpi.la</a>'. Stop.<br>
make[1]: Leaving directory `/home/gromacs-4.5.5/src/mdlib'<br>(cd ./src/kernel && make mdrun ; exit 0)<br>make[1]: Entering directory `/home/gromacs-4.5.5/src/kernel'<br>/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 <a href="http://libgmxpreprocess_mpi.la">libgmxpreprocess_mpi.la</a> -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/<a href="http://libmd_mpi.la">libmd_mpi.la</a> -lnsl -lm <br>
libtool: link: cannot find the library `../mdlib/<a href="http://libmd_mpi.la">libmd_mpi.la</a>' or unhandled argument `../mdlib/<a href="http://libmd_mpi.la">libmd_mpi.la</a>'<br>make[1]: *** [<a href="http://libgmxpreprocess_mpi.la">libgmxpreprocess_mpi.la</a>] Error 1<br>
make[1]: Leaving directory `/home/gromacs-4.5.5/src/kernel'<br><br>please help!<br><br>Aiswarya<br><br></pre>