Lammps-13May14 installation problem

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1

Dear Lammps users,

I downloaded the latest version of LAMMPS (13May, 2014) and tried to compile
it, I got the following error message:
...
mpicc -O -DLAMMPS_GZIP -DLAMMPS_JPEG -DLMP_USER_OMP -I../../lib/colvars -I../../lib/awpmd/ivutils/include -I../../lib/awpmd/systems/interact -I../../lib/atc -I../../src -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -I../ -I/pkg/mpi/gcc/4.6.1/mvapich2-1.8/include -DMPICH_SKIP_MPICXX -I/pkg/chem/lib/gcc/fftw332/include -DFFT_FFTW3 -I/pkg/chem/lib/intel/include/voro++ -I/pkg/chem/openkim/KIM_API -c ../pair_kim.cpp
../pair_kim.cpp: In member function 「void LAMMPS_NS::PairKIM::set_statics()」:
../pair_kim.cpp:850:24: Error：「class KIM_API_model」 沒具名為 「set_method_by_index」 的成員
../pair_kim.cpp:850:67: Error：「func_ptr」 在此作用欄位中尚未宣告
make[1]: *** [pair_kim.o] Error 1
make[1]: Leaving directory `/pkg/chem/lammps-13May14/src/Obj_linux'
make: *** [linux] Error 2

Something is wrong in pair_kim_cpp, line 850, the compiler complains that "set_method_by_index" is
not a member of claaa KIM_API_model, and func_ptr was not defined.

Any suggestion on how to fix the problem?

There is another easy problem is missing commgrid.h in directory src, which should be gridcomm.h.

Thanks for your help.

Jyh-Shyong Ho, Ph.D.
Research Scientist
National Center for High Performance Computing
Hsinchu, Taiwan, ROC

2

Something is wrong in pair_kim_cpp, line 850, the compiler complains that “set_method_by_index” is
not a member of claaa KIM_API_model, and func_ptr was not defined.
Any suggestion on how to fix the problem?

Are you planning to use the KIM library and have it installed on your
system? If not, then don’t compile with the KIM package installed.

If yes, then possibly the KIM API changed. I suggest you contact
the KIM folks and ask them if pair_kim.cpp needs to be updated

to match a change in their API.

There is another easy problem is missing commgrid.h in directory src, which should be gridcomm.h.

You don’t say what file is having this error, but I believe it’s already been fixed.

Steve