[gmx-developers] problem with qm_mopac.c

[Vitaly V. Chaban]

Hi,

Trying to compile gromacs with mopac library (libmopac.a), I
experienced the error in qm_mopac.c. The library libmopac.a was made
successfully with intel fortran compiler including those file as
suggested on gromacs wiki.
I checked a number of versions of gromacs and the compilation problem
is the same with all of them.

Does anybody know what this nasty error can be connected with?


/bin/sh ../../libtool --tag=CC   --mode=link cc  -O3
-fomit-frame-pointer -finline-functions -Wall -Wno-unused
-funroll-all-loops  -L/share/apps/fftw3/em64t/single/lib   -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 ../mdlib/libmd.la
../gmxlib/libgmx.la  -L/usr/lib64 -lnsl -lfftw3f -lm   -lSM -lICE
-lX11
libtool: link: warning: library
`/share/apps/fftw3/em64t/single/lib/libfftw3f.la' was moved.
libtool: link: warning: library
`/share/apps/fftw3/em64t/single/lib/libfftw3f.la' was moved.
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/share/apps/fftw3/em64t/single/lib ../mdlib/.libs/libmd.a
-L/usr/lib64 ../gmxlib/.libs/libgmx.a -lnsl
/share/apps/fftw3/em64t/single/lib/libfftw3f.a -lm -lSM -lICE -lX11
../mdlib/.libs/libmd.a(qm_mopac.o): In function `call_mopac_SH':
qm_mopac.c:(.text+0x311): undefined reference to `domop_'
../mdlib/.libs/libmd.a(qm_mopac.o): In function `call_mopac':
qm_mopac.c:(.text+0x996): undefined reference to `domop_'
../mdlib/.libs/libmd.a(qm_mopac.o): In function `init_mopac':
qm_mopac.c:(.text+0xd6e): undefined reference to `domldt_'


Thanks.

--
Dr. Vitaly Chaban