[INSTALL] LAMMPS (cmake)

 

Compiler : 

Intel oneAPI

 

MPI : 

Intel MPI

 

Tools :

cmake, python, git

 

$ cd lammps-stable_xxx
$ mkdir build
$ cd build

$ cmake ../cmake \

-DBUILD_MPI=yes \

-DPKG_MANYBODY=yes \

-DPKG_MOLECULE=yes \

...(필요한 옵션 추가)

-DPKG_KOKKOS=yes \

-DKokkos_ARCH_KNL=yes \
-DKokkos_ENABLE_OPENMP=yes

 

$ cmake --build