[gmx-users] mopac gcc g77 and x86_64

Andrey V. Golovin golovin at belozersky.msu.ru
Tue Oct 30 11:10:14 CET 2007


Dear all,
I faced with common problem I think :)
Linux 64 bit, gcc and etc.
I can't link libmopac.a from
http://www.mpibpc.mpg.de/groups/grubmueller/start/people/ggroenh/qmmm.html
because last one is 32 ...
Building my own one with g77 or gfortran or f2c gives the same error

cc -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused
-funroll-all-loops -o mdrun glaasje.o gctio.o init_sh.o ionize.o
do_gct.o relax_sh.o repl_ex.o xutils.o compute_io.o md.o mdrun.o
genalg.o  -L/home/user/tmp/gromacs-3.3.2 -L/home/files/progs/fftw/lib
../mdlib/.libs/libmd_d.a ../gmxlib/.libs/libgmx_d.a -lnsl
/home/files/progs/fftw/lib/libfftw3.a -lm -lmopac7 -lSM -lICE -lX11
/home/user/tmp/gromacs-3.3.2/libmopac7.a(gmxmop.o): In function `moldat_':
/home/user/tmp/mopac-sf/mopac7-1.10/src/gmxmop.c:1165: undefined
reference to `i_indx'
/home/user/tmp/mopac-sf/mopac7-1.10/src/gmxmop.c:1166: undefined
reference to `i_indx'
/home/user/tmp/mopac-sf/mopac7-1.10/src/gmxmop.c:1167: undefined
reference to `i_indx'
/home/user/tmp/mopac-sf/mopac7-1.10/src/gmxmop.c:1168: undefined
reference to `i_indx'
/home/user/tmp/mopac-sf/mopac7-1.10/src/gmxmop.c:1169: undefined
reference to `i_indx'
OR
cc -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused
-funroll-all-loops -o mdrun glaasje.o gctio.o init_sh.o ionize.o
do_gct.o relax_sh.o repl_ex.o xutils.o compute_io.o md.o mdrun.o
genalg.o  -L/home/user/tmp/gromacs-3.3.2 -L/home/files/progs/fftw/lib
../mdlib/.libs/libmd_d.a ../gmxlib/.libs/libgmx_d.a -lnsl
/home/files/progs/fftw/lib/libfftw3.a -lm -lmopac7 -lSM -lICE -lX11
/home/user/tmp/gromacs-3.3.2/libmopac7.a(gmxmop.o): In function `domop_':
gmxmop.f:(.text+0x81): undefined reference to `_gfortran_string_index'
/home/user/tmp/gromacs-3.3.2/libmopac7.a(gmxmop.o): In function `moldat_':
gmxmop.f:(.text+0x2b8): undefined reference to `_gfortran_string_index'
gmxmop.f:(.text+0x2d4): undefined reference to `_gfortran_string_index'

and so on like no references defined at all.

Looks like something stupid here... Any idea?

PS Compiling mopac lib goes with some warnings but no errors.

-- 
-----------------------------------------------------------------
Andrey V. Golovin
Ph.D,Assistant Professor    tel: (495) 939-3149
Bioengineering and
Bioinformatics Department
Moscow State University     fax: (495) 939-3181
119899 Moscow               E-mail: golovin at genebee.msu.su
Russia                      web: http://rnp-group.genebee.msu.su
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