package gpu force 0 0 1 variable x index 1 variable y index 1 variable z index 1 variable xx equal 10*$x variable yy equal 10*$y variable zz equal 10*$z units lj atom_style atomic newton off lattice fcc 0.8442 region box block 0 ${xx} 0 ${yy} 0 ${zz} create_box 2 box create_atoms 1 box mass 1 1.0 mass 2 1.0 set type 1 type/fraction 2 0.5 190343 velocity all create 1.44 87287 loop geom pair_style table/gpu bitmap 7 pair_coeff 1 1 lj126_table.txt LJ_126_1.0 pair_coeff 1 2 lj126_table.txt LJ_126_1.0 pair_coeff 2 2 lj126_table.txt LJ_126_2.0 neighbor 0.3 bin neigh_modify delay 0 every 20 check no fix 1 all nve timestep 0.003 thermo 100 run 400