Hi, Please do not cross-post your mailing list questions to individuals unless they have solicited your inquiries. I know nothing about QMMM/MOPAC :-)
The best I can suggest is that you haven't made the MOPAC libs available in the default linking path. Please consult whatever installation documentation exists for this GROMACS/MOPAC hybrid. Mark ----- Original Message ----- From: vidhya sankar <scvsankar_...@yahoo.com> Date: Wednesday, September 8, 2010 15:27 Subject: [gmx-users] reg compilation problem in Mopac gromacs To: gmx-users@gromacs.org ----------------------------------------------------------- | > Dear sir, > thanks in advance > When i type the following command in gromacs directory > ./configure --with-qmmm-mopac --disable-float > it configure successfully > but when i compile by make command i got the following error at the end of my compilation > > libs/libgmxpreprocess_d.a ../mdlib/.libs/libmd_d.a /root/gromacs-4.0.5/src/gmxlib/.libs/libgmx_d.a ../gmxlib/.libs/libgmx_d.a -lnsl -lfftw3 -lm -lmopac -ltest > ../mdlib/.libs/libmd_d.a(qm_mopac.o): In function `call_mopac_SH': > qm_mopac.c:(.text+0x2a7): undefined reference to `domop_' > ../mdlib/.libs/libmd_d.a(qm_mopac.o): In function `call_mopac': > qm_mopac.c:(.text+0x70b): undefined reference to `domop_' > ../mdlib/.libs/libmd_d.a(qm_mopac.o): In function `init_mopac': > qm_mopac.c:(.text+0x964): undefined reference to `domldt_' > collect2: ld returned 1 exit status > make[3]: *** [grompp] Error 1 > make[3]: Leaving directory `/root/gromacs-4.0.5/src/kernel' > make[2]: *** [all-recursive] Error 1 > make[2]: Leaving directory `/root/gromacs-4.0.5/src' > make[1]: *** [all] Error 2 > make[1]: Leaving directory `/root/gromacs-4.0.5/src' > make: *** [all-recursive] Error 1 > What should i do to avoid this error? i am expecting your reply > also when i use ./configure --without-qmmm-mopac --disable-float it compiles successfully | ----------------------------------------------------------- > > -- > 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/Support/Mailing_Lists/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/Support/Mailing_Lists
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