You could try the Kokkos version of ReaxFF:
make yes-kokkos
make -j kokkos_mpi_only
./lmp_kokkos_mpi_only -in in.reax_input -k on -sf kk -pk kokkos newton on neigh half comm no
You could try the Kokkos version of ReaxFF:
make yes-kokkos
make -j kokkos_mpi_only
./lmp_kokkos_mpi_only -in in.reax_input -k on -sf kk -pk kokkos newton on neigh half comm no