[gmx-users] reg compilation problem in Mopac gromacs

Mark Abraham mark.abraham at anu.edu.au
Wed Sep 8 08:15:17 CEST 2010


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.


----- Original Message -----
From: vidhya sankar <scvsankar_agr at yahoo.com>
Date: Wednesday, September 8, 2010 15:27
Subject: [gmx-users] reg compilation problem in Mopac gromacs
To: gmx-users at 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 |
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