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134 lines
4.4 KiB
Plaintext
134 lines
4.4 KiB
Plaintext
LAMMPS (1 Sept 2004)
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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 join 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_type lower atom 2
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120 changes made
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set_type upper atom 3
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120 changes 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 1.0 1.0 200 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 4 10 4 0 0 0 0
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fix 8 flow indent 100 4 20 7 0 0 0 0
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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 = 1.06157 Mbytes
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Step Temperature E_pair E_bond E_total Pressure Volume
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0 1.0019297 0 0 0.68645902 0.47826346 733.92473
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1000 1 -0.3541344 0 0.3310025 1.471929 788.80874
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2000 1 -0.40581755 0 0.27931935 1.3444013 815.07966
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3000 1 -0.53487842 0 0.15025847 1.5881028 838.85908
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4000 1 -0.56788721 0 0.11724969 1.5870075 867.65296
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5000 1 -0.49969634 0 0.18544056 1.3461368 897.39498
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6000 1 -0.46128743 0 0.22384946 1.2535238 916.0006
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7000 1 -0.44495472 0 0.24018217 1.2604379 923.45772
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8000 1 -0.43113095 0 0.25400595 1.3020687 922.74025
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9000 1 -0.37283611 0 0.31230079 1.0383053 926.35044
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10000 1 -0.41317676 0 0.27196014 1.0430468 923.77242
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11000 1 -0.39163654 0 0.29350036 1.1417985 924.17464
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12000 1 -0.40243311 0 0.28270378 1.1857218 926.0797
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13000 1 -0.39552697 0 0.28960993 1.0909948 930.73504
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14000 1 -0.38651967 0 0.29861723 1.019887 932.46408
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15000 1 -0.36137982 0 0.32375708 1.0862526 934.52524
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16000 1 -0.38895837 0 0.29617853 1.0782077 937.54986
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17000 1 -0.36593408 0 0.31920282 1.0433347 937.86368
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18000 1 -0.36862138 0 0.31651552 1.0541325 936.44677
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19000 1 -0.34653171 0 0.33860519 1.0383193 936.06753
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20000 1 -0.4198566 0 0.26528029 1.1931375 929.06482
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21000 1 -0.37716741 0 0.30796949 1.0620287 933.67326
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22000 1 -0.39545011 0 0.28968679 1.0645021 933.58553
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23000 1 -0.36365319 0 0.3214837 1.049493 933.6992
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24000 1 -0.35620009 0 0.3289368 1.0211735 935.87224
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25000 1 -0.39356635 0 0.29157055 0.99663982 935.394
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Loop time of 9.57984 on 1 procs for 25000 steps with 767 atoms
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Pair time (%) = 2.67079 (27.8793)
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Neigh time (%) = 0.878906 (9.17454)
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Comm time (%) = 0.298905 (3.12015)
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Outpt time (%) = 1.59839 (16.6849)
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Other time (%) = 4.13285 (43.1411)
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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: 1604 ave 1604 max 1604 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 1604
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Ave neighs/atom = 2.09126
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Neighbor list builds = 1625
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Dangerous builds = 0
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