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Hi,<br><br>I am trying to install gromacs333 with mopac. I use the command:<br><br>./configure --enable-mpi --with-qmmm-mopac CPPFLAGS=-DUSE_MOPAC LDFLAGS=-L/home/osmair/qmmm/ -LD_LIBRARY_PATH=-lmopac<br><br>However I found the following error when I run make:<br><br>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<br>../mdlib/.libs/libmd_mpi.a(qm_mopac.o): In function `call_mopac_SH':<br>qm_mopac.c:(.text+0x311): undefined reference to `domop_'<br>../mdlib/.libs/libmd_mpi.a(qm_mopac.o): In function `call_mopac':<br>qm_mopac.c:(.text+0x996): undefined reference to `domop_'<br>../mdlib/.libs/libmd_mpi.a(qm_mopac.o): In function `init_mopac':<br>qm_mopac.c:(.text+0xd6e): undefined reference to `domldt_'<br>collect2: ld returned 1 exit status<br>mpicc: No such file or directory<br>make[3]: *** [ffscan] Error 1<br>make[3]: Leaving directory `/home/osmair/qmmm//src/kernel'<br>make[2]: *** [all-recursive] Error 1<br>make[2]: Leaving directory `/home/osmair/qmmm//src'<br>make[1]: *** [all] Error 2<br>make[1]: Leaving directory `/home/osmair/qmmm//src'<br>make: *** [all-recursive] Error 1<br><br>My machine is a x86_64 GNU/Linux<br><br>Thanks,<br><br>Osmair<br>Ph.D student<br>Brazil<br><br /><hr />Receba GRÁTIS as mensagens do Messenger no seu celular quando você estiver offline. Conheça o MSN Mobile! <a href='http://mobile.live.com/signup/signup2.aspx?lc=pt-br' target='_new'>Crie já o seu!</a></body>
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