KOKKOS Package를 사용할까 했는데, 불행하게도 Granular siulation을 위한 atom_style sphere는 KOKKOS package를 지원하지 않는다고 한다.
차선책으로 GPU Package를 써 볼까 한다.
https://docs.lammps.org/Howto_granular.html
8.5.2. Granular models — LAMMPS documentation
Granular system are composed of spherical particles with a diameter, as opposed to point particles. This means they have an angular velocity and torque can be imparted to them to cause them to rotate. To run a simulation of a granular model, you will want
docs.lammps.org
make uninstall
xargs sudo rm < install_manifest.txt
rm -rf *
cmake ../cmake \
-D LAMMPS_MACHINE=GPU_Granular \
-D CMAKE_INSTALL_PREFIX=$HOME/LAMMPS_GPU_Granular \
-D PKG_GPU=on \
-D GPU_API=cuda \
-D GPU_ARCH=sm_61 \
-D CUDPP_OPT=no \
-D CUDA_MPS_SUPPORT=yes \
-D PKG_GRANULAR=on \
-D PKG_VTK=on \
-D VTK_DIR=$HOME/VTK_gcc_install/lib/cmake/vtk-9.4 \
-D BUILD_MPI=yes \
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