LAMMPS (29 Jun 2012) # DPD benchmark units lj atom_style atomic communicate single vel yes lattice fcc 3.0 Lattice spacing in x,y,z = 1.10064 1.10064 1.10064 region box block 0 20 0 20 0 20 create_box 1 box Created orthogonal box = (0 0 0) to (22.0128 22.0128 22.0128) 1 by 1 by 1 MPI processor grid create_atoms 1 box Created 32000 atoms mass 1 1.0 velocity all create 1.0 87287 loop geom pair_style dpd 1.0 1.0 928948 pair_coeff 1 1 25.0 4.5 neighbor 0.5 bin neigh_modify delay 0 every 1 fix 1 all nve timestep 0.04 run 100 Memory usage per processor = 11.134 Mbytes Step Temp E_pair E_mol TotEng Press 0 1 3.6872574 0 5.1872105 28.880274 100 1.0246036 4.5727353 0 6.1095927 23.859969 Loop time of 3.91185 on 1 procs for 100 steps with 32000 atoms Pair time (%) = 1.94669 (49.7639) Neigh time (%) = 1.80933 (46.2524) Comm time (%) = 0.0754168 (1.92791) Outpt time (%) = 0.00010705 (0.00273656) Other time (%) = 0.0803113 (2.05303) Nlocal: 32000 ave 32000 max 32000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 14981 ave 14981 max 14981 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 660587 ave 660587 max 660587 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 660587 Ave neighs/atom = 20.6433 Neighbor list builds = 50 Dangerous builds = 0