# Coupled 512-atom Si NVE smoke for one to eight GPU MPI ranks.
# Supply the private exported Metatomic model: -var model /path/model.pt
package kokkos newton on neigh half
units metal
atom_style atomic/kk
boundary p p p

lattice diamond 5.43
region box block 0 4 0 4 0 4 units lattice
create_box 1 box
create_atoms 1 box
mass 1 28.085

pair_style metatomic/kk ${model}
pair_coeff * * 14
timestep 0.0001
velocity all create 300.0 37214 mom yes rot yes dist gaussian
fix integrate all nve/kk
thermo_style custom step temp pe ke etotal
thermo 1
run_style verlet/kk
run 5