LAMMPS (12 Feb 2007) # 2d LJ obstacle flow dimension 2 boundary p s p atom_style atomic neighbor 0.3 bin neigh_modify delay 5 # create geometry lattice hex 0.7 Lattice spacing in x,y,z = 1.28436 2.22457 1.28436 region box block 0 40 0 10 -0.25 0.25 create_box 3 box Created box = (0 0 -0.321089) to (51.3743 22.2457 0.321089) 1 by 1 by 1 processor grid create_atoms 1 Created 840 atoms mass 1 1.0 mass 2 1.0 mass 3 1.0 # LJ potentials pair_style lj/cut 1.12246 pair_coeff * * 1.0 1.0 1.12246 # define groups region 1 block INF INF INF 1.25 INF INF group lower region 1 120 atoms in group lower region 2 block INF INF 8.75 INF INF INF group upper region 2 120 atoms in group upper group boundary union lower upper 240 atoms in group boundary group flow subtract all boundary 600 atoms in group flow set lower atom 2 120 settings made set upper atom 3 120 settings made # initial velocities compute mobile flow temp velocity flow create 1.0 482748 temp mobile fix 1 all nve fix 2 flow temp/rescale 200 1.0 1.0 0.02 1.0 fix_modify 2 temp mobile # Poiselle flow velocity boundary set 0.0 0.0 0.0 fix 3 lower setforce 0.0 0.0 0.0 fix 4 upper setforce 0.0 NULL 0.0 fix 5 upper aveforce 0.0 -0.5 0.0 fix 6 flow addforce 1.0 0.0 0.0 # 2 obstacles region void1 sphere 10 4 0 3 delete_atoms region void1 Deleted 35 atoms, new total = 805 region void2 sphere 20 7 0 3 delete_atoms region void2 Deleted 35 atoms, new total = 770 fix 7 flow indent 100 sphere 10 4 0 4 fix 8 flow indent 100 sphere 20 7 0 4 fix 9 all enforce2d # Run timestep 0.003 thermo 1000 thermo_modify temp mobile dump 1 all atom 100 dump.obstacle #dump 1 all custom 100 dump.custom tag type x y z vx vy run 25000 Memory usage per processor = 1.4637 Mbytes Step Temp E_pair E_mol TotEng Press Volume 0 1.0087541 0 0 0.69237216 0.48426997 733.92473 1000 1 -0.37498059 0 0.31138304 1.5619007 780.16609 2000 1 -0.42018277 0 0.26618087 1.381975 813.7446 3000 1 -0.49158436 0 0.19477928 1.4950838 846.60042 4000 1 -0.50974647 0 0.17661717 1.6968335 877.90837 5000 1 -0.48739676 0 0.19896688 1.372862 906.72222 6000 1 -0.45489776 0 0.23146588 1.1850408 922.1588 7000 1 -0.44298261 0 0.24338103 1.2353271 922.55214 8000 1 -0.39106076 0 0.29530287 1.2129774 923.79013 9000 1 -0.36894699 0 0.31741665 1.1022787 925.88908 10000 1 -0.40366483 0 0.28269881 1.0425088 924.55991 11000 1 -0.37662826 0 0.30973537 1.0605386 924.15634 12000 1 -0.39748408 0 0.28887956 1.1069709 926.1591 13000 1 -0.40533845 0 0.28102518 1.0999422 931.71451 14000 1 -0.39364952 0 0.29271412 0.98434706 935.98322 15000 1 -0.38545757 0 0.30090607 1.0288972 936.10741 16000 1 -0.34970581 0 0.33665783 1.0686207 939.12879 17000 1 -0.35935376 0 0.32700987 0.96188021 939.41127 18000 1 -0.38218429 0 0.30417934 0.97219528 939.42804 19000 1 -0.35002145 0 0.33634218 0.96884865 941.93045 20000 1 -0.37936966 0 0.30699398 1.0604325 935.73258 21000 1 -0.3797544 0 0.30660924 1.0525308 936.59648 22000 1 -0.37015981 0 0.31620383 1.0908613 935.05927 23000 1 -0.39940438 0 0.28695925 1.0860163 932.28118 24000 1 -0.36738604 0 0.3189776 0.97212319 936.04359 25000 1 -0.36023241 0 0.32613123 1.0971047 938.21817 Loop time of 12.2357 on 1 procs for 25000 steps with 770 atoms Pair time (%) = 2.69352 (22.0137) Neigh time (%) = 0.822182 (6.71956) Comm time (%) = 0.283775 (2.31925) Outpt time (%) = 3.9804 (32.5312) Other time (%) = 4.45578 (36.4163) Nlocal: 770 ave 770 max 770 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 45 ave 45 max 45 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1637 ave 1637 max 1637 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1637 Ave neighs/atom = 2.12597 Neighbor list builds = 1632 Dangerous builds = 0