<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:bookman old style, new york, times, serif;font-size:10pt"><DIV>According to the suggestion I have installed the f2c package in my machine.I am unable to find the g2c package. I have included the f2c library by - export LIBS="-lmopac -lf2c". But when I running ./configure --with-qmmm-mopac --disable-float , an error is comming C compiler cannot create executable. The config.log file shows the following section- <BR><SPAN lang=EN>
<P>onfigure:3413: checking for C compiler default output file name</P>
<P>configure:3440: cc -I/usr/local/include -DUSE_MOPAC -L/usr/local/lib conftest.c -lmopac -lf2c >&5</P>
<P>/usr/lib/gcc/i486-linux-gnu/4.3.3/../../../../lib/libf2c.so: undefined reference to `MAIN__'</P>
<P>collect2: ld returned 1 exit status</P>
<P>configure:3443: $? = 1</P>
<P>configure:3481: result:</P>
<P>configure: failed program was:</P>
<P>| /* confdefs.h. */</P></SPAN> </DIV>
<DIV>Please suggest a way out.</DIV>Subarna Thakur<BR>
<DIV> </DIV>
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<B><SPAN style="FONT-WEIGHT: bold">From:</SPAN></B> Gerrit Groenhof <ggroenh@gwdg.de><BR><B><SPAN style="FONT-WEIGHT: bold">To:</SPAN></B> gmx-users@gromacs.org<BR><B><SPAN style="FONT-WEIGHT: bold">Sent:</SPAN></B> Sat, 12 June, 2010 3:36:54 PM<BR><B><SPAN style="FONT-WEIGHT: bold">Subject:</SPAN></B> Re: Subject: [gmx-users] error compiling mopac and gromacs<BR></FONT><BR><BR><BR>Depending on how your libmopac.a was biuld, you need the to include the f2c or g2c library as well.<BR><BR>Gerrit<BR><BR><BR><BR>> Message: 5<BR>> Date: Sat, 12 Jun 2010 14:33:02 +0530 (IST)<BR>> From: subarna thakur <<A href="mailto:thakur.subarna@yahoo.co.in" ymailto="mailto:thakur.subarna@yahoo.co.in">thakur.subarna@yahoo.co.in</A>><BR>> Subject: [gmx-users] error compiling mopac and gromacs<BR>> To: <A href="mailto:gmx-users@gromacs.org" ymailto="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</A><BR>> Message-ID: <<A
href="mailto:371899.78968.qm@web95516.mail.in.yahoo.com" ymailto="mailto:371899.78968.qm@web95516.mail.in.yahoo.com">371899.78968.qm@web95516.mail.in.yahoo.com</A>><BR>> Content-Type: text/plain; charset="iso-8859-1"<BR>> <BR>> Hi <BR>> 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 <BR>> export LDFLAGS="-L/usr/local/lib -Wl,--wrap,__ctype_b"<BR>> export CPPFLAGS="/usr/local/include -DUSE_MOPAC"<BR>> export LIBS="lmopac<BR>> <BR>> 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-<BR>> /usr/local/lib/libmopac.a(lread.o)(.text+0x160): In function `e_rsle':<BR>> : undefined reference to `__wrap___ctype_b'<BR>>
/usr/local/lib/libmopac.a(lread.o)(.text+0x21f): In function `e_rsle':<BR>> : undefined reference to `__wrap___ctype_b'<BR>> /usr/local/lib/libmopac.a(lread.o)(.text+0x296): In function `e_rsle':<BR>> : undefined reference to `__wrap___ctype_b'<BR>> /usr/local/lib/libmopac.a(lread.o)(.text+0x2d0): In function `e_rsle':<BR>> : undefined reference to `__wrap___ctype_b'<BR>> /usr/local/lib/libmopac.a(lread.o)(.text+0x8b2): In function `e_rsle':<BR>> : undefined reference to `__wrap___ctype_b'<BR>> /usr/local/lib/libmopac.a(lread.o)(.text+0xb05): more undefined references to `__wrap___ctype_b' follow<BR>> collect2: ld returned 1 exit status<BR>> make[3]: *** [grompp] Error 1<BR>> make[3]: Leaving directory `/usr/gromacs-4.0.3/src/kernel'<BR>> make[2]: *** [all-recursive] Error 1<BR>> make[2]: Leaving directory `/usr/gromacs-4.0.3/src'<BR>> make[1]: *** [all] Error 2<BR>> make[1]: Leaving directory
`/usr/gromacs-4.0.3/src'<BR>> make: *** [all-recursive] Error 1<BR>> <BR>> Please suggest where I have gone wrong.<BR>> Subarna Thakur<BR>> <BR>> <BR>> -------------- next part --------------<BR>> An HTML attachment was scrubbed...<BR>> URL: <A href="http://lists.gromacs.org/pipermail/gmx-users/attachments/20100612/ed0e12b1/attachment.html" target=_blank>http://lists.gromacs.org/pipermail/gmx-users/attachments/20100612/ed0e12b1/attachment.html</A><BR>> <BR>> ------------------------------<BR>> <BR>> -- <BR>> gmx-users mailing list<BR>> <A href="mailto:gmx-users@gromacs.org" ymailto="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</A><BR>> <A href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target=_blank>http://lists.gromacs.org/mailman/listinfo/gmx-users</A><BR>> Please search the archive at <A href="http://www.gromacs.org/search" target=_blank>http://www.gromacs.org/search</A>
before posting!<BR>> <BR>> End of gmx-users Digest, Vol 74, Issue 69<BR>> *****************************************<BR><BR>--<BR>Gerrit Groenhof<BR>MPI biophysical chemistry<BR>Goettingen<BR>Germany<BR><A href="http://wwwuser.gwdg.de/~ggroenh/" target=_blank>http://wwwuser.gwdg.de/~ggroenh/</A><BR><BR>--<BR>gmx-users mailing list <A href="mailto:gmx-users@gromacs.org" ymailto="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</A><BR><A href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target=_blank>http://lists.gromacs.org/mailman/listinfo/gmx-users</A><BR>Please search the archive at <A href="http://www.gromacs.org/search" target=_blank>http://www.gromacs.org/search</A> before posting!<BR>Please don't post (un)subscribe requests to the list. Use the<BR>www interface or send it to <A href="mailto:gmx-users-request@gromacs.org" ymailto="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</A>.<BR>Can't
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