-- Makefile to build gpu library; copy to lammps-/lib/gpu. Makefile.gpu_thetagpu -- Makefiles to build lammps executables; copy to lammps-/src/MAKE/MACHINES. Makefile.thetagpu Makefile.thetagpu_kokkos -- Example submission scripts for single-gpu and full-node queues submit_full-node.sh submit_single-gpu.sh -- To build LAMMPS w/ GPU package cd lammps-/lib/gpu make -f Makefile.gpu_thetagpu -j 8 cd ../../src make yes-GPU make thetagpu -j 8 -- To build LAMMPS w/ KOKKOS package cd lammps-/src make yes-KOKKOS make thetagpu_kokkos -j 8