134 lines
4.5 KiB
Groff
134 lines
4.5 KiB
Groff
LAMMPS (1 Oct 2006)
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# 2d LJ obstacle flow
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dimension 2
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boundary p s p
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atom_style atomic
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neighbor 0.3 bin
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neigh_modify delay 5
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# create geometry
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lattice hex 0.7
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region box block 0 40 0 10 -0.25 0.25
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create_box 3 box
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Created box = (0 0 -0.321089) to (51.3743 22.2457 0.321089)
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1 by 1 by 1 processor grid
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create_atoms 1
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Created 840 atoms
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mass 1 1.0
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mass 2 1.0
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mass 3 1.0
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# LJ potentials
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pair_style lj/cut 1.12246
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pair_coeff * * 1.0 1.0 1.12246
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# define groups
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region 1 block INF INF INF 1.25 INF INF
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group lower region 1
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120 atoms in group lower
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region 2 block INF INF 8.75 INF INF INF
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group upper region 2
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120 atoms in group upper
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group boundary union lower upper
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240 atoms in group boundary
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group flow subtract all boundary
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600 atoms in group flow
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set lower atom 2
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120 settings made
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set upper atom 3
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120 settings made
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# initial velocities
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temperature mobile flow full
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velocity flow create 1.0 482748 temp mobile
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fix 1 all nve
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fix 2 flow temp/rescale 200 1.0 1.0 0.02 1.0
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fix_modify 2 temp mobile
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# Poiselle flow
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velocity boundary set 0.0 0.0 0.0
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fix 3 lower setforce 0.0 0.0 0.0
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fix 4 upper setforce 0.0 NULL 0.0
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fix 5 upper aveforce 0.0 -0.5 0.0
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fix 6 flow addforce 1.0 0.0 0.0
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# 2 obstacles
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region void1 sphere 10 4 0 3
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delete_atoms region void1
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Deleted 36 atoms, new total = 804
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region void2 sphere 20 7 0 3
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delete_atoms region void2
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Deleted 37 atoms, new total = 767
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fix 7 flow indent 100 sphere 10 4 0 4
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fix 8 flow indent 100 sphere 20 7 0 4
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fix 9 all enforce2d
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# Run
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timestep 0.003
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thermo 1000
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thermo_modify temp mobile
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dump 1 all atom 100 dump.obstacle
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#dump 1 all custom 100 dump.custom tag type x y z vx vy
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run 25000
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Memory usage per processor = 1.46358 Mbytes
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Step Temp E_pair E_mol TotEng Press Volume
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0 1.0019297 0 0 0.68645902 0.47826346 733.92473
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1000 1 -0.35063938 0 0.33449751 1.6522953 783.62722
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2000 1 -0.4338009 0 0.25133599 1.3442754 814.00845
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3000 1 -0.48560531 0 0.19953159 1.3851427 842.4322
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4000 1 -0.52446917 0 0.16066773 1.534073 880.36205
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5000 1 -0.46416349 0 0.22097341 1.288376 915.89876
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6000 1 -0.46692642 0 0.21821047 1.2806072 927.05522
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7000 1 -0.44824027 0 0.23689663 1.1691239 935.06903
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8000 1 -0.44835316 0 0.23678374 1.0958272 931.19324
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9000 1 -0.3927248 0 0.2924121 1.1093553 927.69772
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10000 1 -0.38347162 0 0.30166528 1.0818633 923.32891
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11000 1 -0.4036644 0 0.28147249 1.1190364 925.22091
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12000 1 -0.37573271 0 0.30940418 1.0661954 932.99191
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13000 1 -0.38127169 0 0.30386521 1.0347388 934.82878
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14000 1 -0.3917136 0 0.2934233 1.0359581 934.76479
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15000 1 -0.38159291 0 0.30354398 1.1029874 934.15381
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16000 1 -0.36036528 0 0.32477162 0.98739828 932.69222
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17000 1 -0.36939144 0 0.31574546 1.1260055 934.51009
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18000 1 -0.37198742 0 0.31314948 0.95796075 935.53765
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19000 1 -0.35008405 0 0.33505284 1.0525993 932.71924
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20000 1 -0.3946193 0 0.2905176 1.0181298 932.72262
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21000 1 -0.36508116 0 0.32005573 1.0466637 937.18711
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22000 1 -0.37402575 0 0.31111115 1.0836104 933.86271
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23000 1 -0.37087569 0 0.3142612 1.0454446 933.85941
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24000 1 -0.37779474 0 0.30734216 1.1488903 934.78585
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25000 1 -0.3530395 0 0.3320974 0.9608987 937.57522
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Loop time of 11.2929 on 1 procs for 25000 steps with 767 atoms
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Pair time (%) = 3.08741 (27.3394)
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Neigh time (%) = 0.90573 (8.02035)
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Comm time (%) = 0.344634 (3.05178)
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Outpt time (%) = 0.923682 (8.17932)
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Other time (%) = 6.03144 (53.4092)
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Nlocal: 767 ave 767 max 767 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 46 ave 46 max 46 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 1643 ave 1643 max 1643 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 1643
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Ave neighs/atom = 2.14211
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Neighbor list builds = 1601
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Dangerous builds = 0
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