Depending on how your libmopac.a was biuld, you need the to include the f2c or g2c library as well.
Gerrit > Message: 5 > Date: Sat, 12 Jun 2010 14:33:02 +0530 (IST) > From: subarna thakur <thakur.suba...@yahoo.co.in> > Subject: [gmx-users] error compiling mopac and gromacs > To: gmx-users@gromacs.org > Message-ID: <371899.78968...@web95516.mail.in.yahoo.com> > Content-Type: text/plain; charset="iso-8859-1" > > Hi > I am trying to link mopac with gromacs in a 32 bit linux machine. I have > downloaded the libmopac.a file and kept it under /usr/local/lib. I installed > fftw with double precision and then I set the enviornmental variables for > linking mopac and gromacs > export LDFLAGS="-L/usr/local/lib -Wl,--wrap,__ctype_b" > export CPPFLAGS="/usr/local/include -DUSE_MOPAC" > export LIBS="lmopac > > then I have ran the ./configure --with-qmmm-mopac --disable-float.It seems to > run ok.Then I used the make command but an error is comming as follows- > /usr/local/lib/libmopac.a(lread.o)(.text+0x160): In function `e_rsle': > : undefined reference to `__wrap___ctype_b' > /usr/local/lib/libmopac.a(lread.o)(.text+0x21f): In function `e_rsle': > : undefined reference to `__wrap___ctype_b' > /usr/local/lib/libmopac.a(lread.o)(.text+0x296): In function `e_rsle': > : undefined reference to `__wrap___ctype_b' > /usr/local/lib/libmopac.a(lread.o)(.text+0x2d0): In function `e_rsle': > : undefined reference to `__wrap___ctype_b' > /usr/local/lib/libmopac.a(lread.o)(.text+0x8b2): In function `e_rsle': > : undefined reference to `__wrap___ctype_b' > /usr/local/lib/libmopac.a(lread.o)(.text+0xb05): more undefined references to > `__wrap___ctype_b' follow > collect2: ld returned 1 exit status > make[3]: *** [grompp] Error 1 > make[3]: Leaving directory `/usr/gromacs-4.0.3/src/kernel' > make[2]: *** [all-recursive] Error 1 > make[2]: Leaving directory `/usr/gromacs-4.0.3/src' > make[1]: *** [all] Error 2 > make[1]: Leaving directory `/usr/gromacs-4.0.3/src' > make: *** [all-recursive] Error 1 > > Please suggest where I have gone wrong. > Subarna Thakur > > > -------------- next part -------------- > An HTML attachment was scrubbed... > URL: > http://lists.gromacs.org/pipermail/gmx-users/attachments/20100612/ed0e12b1/attachment.html > > ------------------------------ > > -- > gmx-users mailing list > gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > > End of gmx-users Digest, Vol 74, Issue 69 > ***************************************** -- Gerrit Groenhof MPI biophysical chemistry Goettingen Germany http://wwwuser.gwdg.de/~ggroenh/ -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
