[gmx-users] reg compilation problem in Mopac gromacs

vidhya sankar scvsankar_agr at yahoo.com
Wed Sep 8 07:20:49 CEST 2010


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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