<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">That is the right translation for the Portuguese... :)<br><br>Well, I removed that line, and "make" gone further, but I stopped in other error:<br><br>---<br>make[3]: Entrando no diretório `/usr/local/gromacs-4.0.2/src/kernel'<br>/bin/sh ../../libtool --tag=CC --mode=link mpicc -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -funroll-all-loops -o grompp grompp.o libgmxpreprocess_mpi.la ../mdlib/libmd_mpi.la ../gmxlib/libgmx_mpi.la -lxml2 -lnsl -lfftw3f -lm -lSM -lICE -lX11<br>mpicc -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -funroll-all-loops -o grompp grompp.o ./.libs/libgmxpreprocess_mpi.a ../mdlib/.libs/libmd_mpi.a ../gmxlib/.libs/libgmx_mpi.a /usr/lib/libxml2.so -lz -lnsl -lfftw3f -lm /usr/lib/libSM.so /usr/lib/libICE.so /usr/lib/libX11.so /usr/lib/libxcb-xlib.so
/usr/lib/libxcb.so /usr/lib/libXau.so /usr/lib/libXdmcp.so -ldl<br>../mdlib/.libs/libmd_mpi.a(qm_mopac.o): In function `call_mopac_SH':<br>qm_mopac.c:(.text+0x286): undefined reference to `domop_'<br>../mdlib/.libs/libmd_mpi.a(qm_mopac.o): In function `call_mopac':<br>qm_mopac.c:(.text+0x83a): undefined reference to `domop_'<br>../mdlib/.libs/libmd_mpi.a(qm_mopac.o): In function `init_mopac':<br>qm_mopac.c:(.text+0xc03): undefined reference to `domldt_'<br>collect2: ld returned 1 exit status<br>make[3]: ** [grompp] Erro 1<br>make[3]: Saindo do diretório `/usr/local/gromacs-4.0.2/src/kernel'<br>make[2]: ** [all-recursive] Erro 1<br>make[2]: Saindo do diretório `/usr/local/gromacs-4.0.2/src'<br>make[1]: ** [all] Erro 2<br>make[1]: Saindo do diretório `/usr/local/gromacs-4.0.2/src'<br>make: ** [all-recursive] Erro 1<br>---<br><br>Is there something I should do (better, I forgot to do)?<br><br>Thanks in advance,<br>Laércio<br><br><br><blockquote
style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><pre><br>Message: 2<br>Date: Tue, 09 Dec 2008 12:26:57 +1100<br>From: Mark Abraham <Mark.Abraham@anu.edu.au><br>Subject: Re: [gmx-users] Dificulties compiling Gromacs 4.0.2 with<br> MOPAC7 QM/MM<br>To: Discussion list for GROMACS users <gmx-users@gromacs.org><br>Message-ID: <493DC961.4000808@anu.edu.au><br>Content-Type: text/plain; charset=UTF-8; format=flowed<br><br>Laercio Pol Fachin wrote:<br>> Dear GMX users:<br>> <br>> I'm facing problems installing Gromacs 4.0.2 with mopac7 QM/MM.<br>> <br>> I have downloaded MOPAC7 for SourceForge, as linked in previous mails, <br>> and installed it. After, MPICH and fftw 3.0.1. So: "./configure <br>> --enable-mpi --with-qmmm-mopac" runs O.K., but, during<br>"make":<br>> <br>> (some shell indications in Portuguese):<br>> ---<br>> make[3]: Entrando no diretório
`/usr/local/gromacs-4.0.2/src/mdlib'<br>> /bin/sh ../../libtool --tag=CC --mode=compile mpicc -DHAVE_CONFIG_H <br>> -I. -I../../src -I/usr/include/libxml2 -I../../include <br>> -DGMXLIBDIR=\"/usr/local/gromacs/share/top\" -O3<br>-fomit-frame-pointer <br>> -finline-functions -Wall-Wno-unused -funroll-all-loops -MT qm_mopac.lo <br>> -MD -MP -MF .deps/qm_mopac.Tpo -c -o qm_mopac.lo qm_mopac.c<br>> mpicc -DHAVE_CONFIG_H -I. -I../../src -I/usr/include/libxml2 <br>> -I../../include<br>-DGMXLIBDIR=\"/usr/local/gromacs/share/top\" -O3 <br>> -fomit-frame-pointer -finline-functions -Wall -Wno-unused <br>> -funroll-all-loops -MT qm_mopac.lo -MD -MP -MF .deps/qm_mopac.Tpo -c <br>> qm_mopac.c -o qm_mopac.o<br>> qm_mopac.c:52:17: error: nsb.h: Arquivo ou diretório não encontrado<br><br>My Portuguese is not so hot, but I figure this error translates as <br>"nsb.h: File or directory not found". That means what it
says.<br>GROMACS <br>version 3.3.x had this file, version 4.x doesn't. I had a look at <br>qm_mopac.c and I don't think it was using any of the contents of nsb.h, <br>so you should be safe to remove this line from qm_mopac.c. Do let us <br>know how you get on.<br><br>Mark<br><br></pre></blockquote></td></tr></table><br>
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