[gmx-users] QMMM/mopac install

[osmair oliveira]

Hi,

I am trying to install gromacs333 with mopac. I use the command:

./configure --enable-mpi --with-qmmm-mopac CPPFLAGS=-DUSE_MOPAC LDFLAGS=-L/home/osmair/qmmm/   -LD_LIBRARY_PATH=-lmopac

However I found the following error when I run make:

mpicc -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -funroll-all-loops -o x2top toppush.o nm2type.o pdb2top.o gen_ad.o gen_vsite.o pgutil.o resall.o hackblock.o add_par.o topexcl.o toputil.o topdirs.o x2top.o  -L/home/osmair/qmmm/pack-gromacs-3.3.3-meta/ ../replica-methods/.libs/libreplica_mpi.a -L/usr/lib64 ../metalib/.libs/libmeta_mpi.a ../mdlib/.libs/libmd_mpi.a ../gmxlib/.libs/libgmx_mpi.a -lnsl -lfftw3f -lm -lXm -lXt -lSM -lICE -lXext -lXp -lX11
../mdlib/.libs/libmd_mpi.a(qm_mopac.o): In function `call_mopac_SH':
qm_mopac.c:(.text+0x311): undefined reference to `domop_'
../mdlib/.libs/libmd_mpi.a(qm_mopac.o): In function `call_mopac':
qm_mopac.c:(.text+0x996): undefined reference to `domop_'
../mdlib/.libs/libmd_mpi.a(qm_mopac.o): In function `init_mopac':
qm_mopac.c:(.text+0xd6e): undefined reference to `domldt_'
collect2: ld returned 1 exit status
mpicc: No such file or directory
make[3]: *** [ffscan] Error 1
make[3]: Leaving directory `/home/osmair/qmmm//src/kernel'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/home/osmair/qmmm//src'
make[1]: *** [all] Error 2
make[1]: Leaving directory `/home/osmair/qmmm//src'
make: *** [all-recursive] Error 1

My machine is a x86_64 GNU/Linux

Thanks,

Osmair
Ph.D student
Brazil

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