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 2 by 2 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 = 3.88609 Mbytes Step Temp E_pair E_mol TotEng Press 0 1 3.6872574 0 5.1872105 28.911346 100 1.0219182 4.5817845 0 6.1146139 23.803115 Loop time of 1.10533 on 4 procs for 100 steps with 32000 atoms Pair time (%) = 0.521759 (47.2037) Neigh time (%) = 0.488133 (44.1616) Comm time (%) = 0.0682133 (6.17129) Outpt time (%) = 7.55787e-05 (0.00683763) Other time (%) = 0.0271527 (2.45652) Nlocal: 8000 ave 8014 max 7986 min Histogram: 1 1 0 0 0 0 0 0 1 1 Nghost: 6744 ave 6764 max 6726 min Histogram: 1 0 0 1 0 1 0 0 0 1 Neighs: 165107 ave 166433 max 163419 min Histogram: 1 0 1 0 0 0 0 0 0 2 Total # of neighbors = 660428 Ave neighs/atom = 20.6384 Neighbor list builds = 50 Dangerous builds = 0