[gmx-users] problem about installing the latest version of MOPAC

minky son minky0710 at gmail.com
Tue Oct 10 16:46:57 CEST 2017


Dear gmx users,
I’m trying to install MOPAC 2016 and GROMACS_2016.4 for QM/MM calculation.
I have installed MOPAC, but it gives the following error when I configure  “-DGMX_QMMM_PROGRAM=mopac” and then execute make command.

[100%] [100%] Building CXX object src/programs/CMakeFiles/gmx.dir/gmx.cpp.o
[100%] Building CXX object src/programs/CMakeFiles/gmx.dir/legacymodules.cpp.o
Building CXX object share/template/CMakeFiles/template.dir/template.cpp.o
Linking CXX executable ../../bin/gmx
../../lib/libgromacs.so.2.4.0: undefined reference to `domldt_(int*, int*, char*)'
../../lib/libgromacs.so.2.4.0: undefined reference to `domop_(int*, double*, int*, double*, double*, double*, double*, double*, double*)'
collect2: error: ld returned 1 exit status
make[2]: *** [bin/gmx] Error 1
make[1]: *** [src/programs/CMakeFiles/gmx.dir/all] Error 2
make[1]: *** Waiting for unfinished jobs....
Linking CXX executable ../../bin/template
../../lib/libgromacs.so.2.4.0: undefined reference to `domldt_(int*, int*, char*)'
../../lib/libgromacs.so.2.4.0: undefined reference to `domop_(int*, double*, int*, double*, double*, double*, double*, double*, double*)'
collect2: error: ld returned 1 exit status
make[2]: *** [bin/template] Error 1
make[1]: *** [share/template/CMakeFiles/template.dir/all] Error 2
make: *** [all] Error 2

So how to set-up the latest version of MOPAC? Is it possible to use gromacs compatible with MOPAC7?
I have searched gromacs website, but information for gromacs version3 with MOPAC7 was only provided. 
I want to use the latest version of MOPAC. Please give me any idea to solve this situation. 
Thank you in advance.



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