<< Using with LAMMPS >>

[icamps]

Hi,

I am trying to use/compile LAMMPS with QUIP.

I cloned the repository and compile QUIP with mpicc and mpic++. In the final stage of linking QUIP library with LAMMPS, I am getting the following error:

[100%] Linking CXX executable lmp /usr/bin/ld: CMakeFiles/lmp.dir/home/icamps/Downloads/LAMMPS/mylammps/src/USER-QUIP/pair_quip.cpp.o: in functionLAMMPS_NS::PairQUIP::settings(int, char**)': pair_quip.cpp:(.text+0x189): undefined reference to `quip_lammps_api_version'

/usr/bin/ld: CMakeFiles/lmp.dir/home/icamps/Downloads/LAMMPS/mylammps/src/USER-QUIP/pair_quip.cpp.o: in function LAMMPS_NS::PairQUIP::compute(int, int)': pair_quip.cpp:(.text+0x61a): undefined reference toquip_lammps_wrapper'

/usr/bin/ld: CMakeFiles/lmp.dir/home/icamps/Downloads/LAMMPS/mylammps/src/USER-QUIP/pair_quip.cpp.o: in function LAMMPS_NS::PairQUIP::coeff(int, char**)': pair_quip.cpp:(.text+0x105e): undefined reference toquip_lammps_potential_initialise'

/usr/bin/ld: pair_quip.cpp:(.text+0x10c4): undefined reference to quip_lammps_potential_initialise' collect2: error: ld returned 1 exit status make[2]: *** [CMakeFiles/lmp.dir/build.make:5790: lmp] Error 1 make[1]: *** [CMakeFiles/Makefile2:73: CMakeFiles/lmp.dir/all] Error 2 make: *** [Makefile:130: all] Error 2

Do you have any idea about this?

Thanks in advance.

Regards,

Camps

[hanyecn]

I've got the same error, have you solved this problem? Thanks.

[icamps]

@hanyecn , no.

[hanyecn]

I have solved this problem by editing the Makefile of lammps. I changed the CXX to icc, it works for me. I used intel compiler to compile libquip and lammps.

[icamps]

@hanyecn thanks for the tips! I will try it.