LAMMPS (1 Oct 2006) # 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 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 temperature mobile flow full 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 36 atoms, new total = 804 region void2 sphere 20 7 0 3 delete_atoms region void2 Deleted 37 atoms, new total = 767 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 = 1.46358 Mbytes Step Temp E_pair E_mol TotEng Press Volume 0 1.0019297 0 0 0.68645902 0.47826346 733.92473 1000 1 -0.35063938 0 0.33449751 1.6522953 783.62722 2000 1 -0.4338009 0 0.25133599 1.3442754 814.00845 3000 1 -0.48560531 0 0.19953159 1.3851427 842.4322 4000 1 -0.52446917 0 0.16066773 1.534073 880.36205 5000 1 -0.46416349 0 0.22097341 1.288376 915.89876 6000 1 -0.46692642 0 0.21821047 1.2806072 927.05522 7000 1 -0.44824027 0 0.23689663 1.1691239 935.06903 8000 1 -0.44835316 0 0.23678374 1.0958272 931.19324 9000 1 -0.3927248 0 0.2924121 1.1093553 927.69772 10000 1 -0.38347162 0 0.30166528 1.0818633 923.32891 11000 1 -0.4036644 0 0.28147249 1.1190364 925.22091 12000 1 -0.37573271 0 0.30940418 1.0661954 932.99191 13000 1 -0.38127169 0 0.30386521 1.0347388 934.82878 14000 1 -0.3917136 0 0.2934233 1.0359581 934.76479 15000 1 -0.38159291 0 0.30354398 1.1029874 934.15381 16000 1 -0.36036528 0 0.32477162 0.98739828 932.69222 17000 1 -0.36939144 0 0.31574546 1.1260055 934.51009 18000 1 -0.37198742 0 0.31314948 0.95796075 935.53765 19000 1 -0.35008405 0 0.33505284 1.0525993 932.71924 20000 1 -0.3946193 0 0.2905176 1.0181298 932.72262 21000 1 -0.36508116 0 0.32005573 1.0466637 937.18711 22000 1 -0.37402575 0 0.31111115 1.0836104 933.86271 23000 1 -0.37087569 0 0.3142612 1.0454446 933.85941 24000 1 -0.37779474 0 0.30734216 1.1488903 934.78585 25000 1 -0.3530395 0 0.3320974 0.9608987 937.57522 Loop time of 11.2929 on 1 procs for 25000 steps with 767 atoms Pair time (%) = 3.08741 (27.3394) Neigh time (%) = 0.90573 (8.02035) Comm time (%) = 0.344634 (3.05178) Outpt time (%) = 0.923682 (8.17932) Other time (%) = 6.03144 (53.4092) Nlocal: 767 ave 767 max 767 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 46 ave 46 max 46 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1643 ave 1643 max 1643 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1643 Ave neighs/atom = 2.14211 Neighbor list builds = 1601 Dangerous builds = 0