git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@647 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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sjplimp
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examples/colloid/log.colloid.22Jun07.liberty.4
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examples/colloid/log.colloid.22Jun07.liberty.4
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LAMMPS (22 June 2007)
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# Big colloid particles and small LJ particles
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units lj
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atom_style atomic
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dimension 2
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lattice sq 0.01
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Lattice spacing in x,y,z = 10 10 10
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region box block 0 30 0 30 -0.5 0.5
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create_box 2 box
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Created orthogonal box = (0 0 -5) to (300 300 5)
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2 by 2 by 1 processor grid
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create_atoms 1 box
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Created 900 atoms
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set group all type/fraction 2 0.96 23984
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868 settings made for type/fraction
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mass 1 9
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mass 2 1
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velocity all create 1.44 87287 loop geom
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# multi neighbor and comm for efficiency
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neighbor 1 multi
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neigh_modify delay 0
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communicate multi
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# colloid potential
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pair_style colloid 12.5
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pair_coeff 1 1 1.0 1.0 5.0 5.0 12.5
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pair_coeff 1 2 5.0 1.0 5.0 0.0 7.0
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pair_coeff 2 2 10.0 1.0 0.0 0.0 2.5
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fix 1 all npt 2.0 2.0 1.0 xyz 0.0 1.0 10.0 drag 1.0
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fix 2 all enforce2d
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dump 1 all atom 200 dump.colloid
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thermo_style custom step temp epair etotal press vol
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thermo 1000
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timestep 0.005
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run 10000
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Memory usage per processor = 1.45054 Mbytes
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Step Temp E_pair TotEng Press Volume
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0 1.44 0 1.4376 0.0009584 900000
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1000 1.8470142 0.0048357172 1.8487715 0.017163086 74830.331
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2000 1.9719939 0.18486401 2.1535713 0.79205274 4710.4215
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3000 1.8512583 0.19478206 2.0429549 1.2638229 3348.993
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4000 2.0197762 0.085599862 2.1020098 0.44423307 6289.5217
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5000 2.1100188 0.066582351 2.1730844 0.30071147 7797.8952
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6000 2.122322 0.080537323 2.1993221 0.47114461 5829.3235
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7000 2.0053017 0.17924225 2.1812018 0.82372251 4418.5393
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8000 1.9850765 0.16081341 2.1425814 0.86380905 4218.1246
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9000 2.0229633 0.14063325 2.1602249 0.8620141 4223.7169
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10000 2.0133665 0.16380502 2.173816 0.95385436 3995.0006
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Loop time of 4.86636 on 4 procs for 10000 steps with 900 atoms
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Pair time (%) = 1.32706 (27.27)
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Neigh time (%) = 0.274084 (5.63221)
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Comm time (%) = 1.98481 (40.7863)
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Outpt time (%) = 0.0898068 (1.84546)
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Other time (%) = 1.1906 (24.466)
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Nlocal: 225 ave 232 max 218 min
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Histogram: 1 0 0 0 0 2 0 0 0 1
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Nghost: 411.5 ave 428 max 388 min
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Histogram: 1 0 0 0 1 0 0 0 0 2
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Neighs: 2307 ave 2410 max 2183 min
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Histogram: 1 0 1 0 0 0 0 0 0 2
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Total # of neighbors = 9228
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Ave neighs/atom = 10.2533
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Neighbor list builds = 773
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Dangerous builds = 0
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80
examples/colloid/log.colloid.22Jun07.linux.1
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examples/colloid/log.colloid.22Jun07.linux.1
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LAMMPS (22 June 2007)
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# Big colloid particles and small LJ particles
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units lj
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atom_style atomic
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dimension 2
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lattice sq 0.01
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Lattice spacing in x,y,z = 10 10 10
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region box block 0 30 0 30 -0.5 0.5
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create_box 2 box
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Created orthogonal box = (0 0 -5) to (300 300 5)
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1 by 1 by 1 processor grid
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create_atoms 1 box
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Created 900 atoms
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set group all type/fraction 2 0.96 23984
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868 settings made for type/fraction
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mass 1 9
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mass 2 1
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velocity all create 1.44 87287 loop geom
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# multi neighbor and comm for efficiency
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neighbor 1 multi
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neigh_modify delay 0
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communicate multi
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# colloid potential
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pair_style colloid 12.5
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pair_coeff 1 1 1.0 1.0 5.0 5.0 12.5
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pair_coeff 1 2 5.0 1.0 5.0 0.0 7.0
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pair_coeff 2 2 10.0 1.0 0.0 0.0 2.5
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fix 1 all npt 2.0 2.0 1.0 xyz 0.0 1.0 10.0 drag 1.0
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fix 2 all enforce2d
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dump 1 all atom 200 dump.colloid
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thermo_style custom step temp epair etotal press vol
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thermo 1000
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timestep 0.005
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run 10000
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Memory usage per processor = 1.47629 Mbytes
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Step Temp E_pair TotEng Press Volume
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0 1.44 0 1.4376 0.0009584 900000
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1000 1.8470142 0.0048357172 1.8487715 0.017163086 74830.331
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2000 1.9719939 0.18486401 2.1535713 0.79205271 4710.4215
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3000 1.8760117 0.16888745 2.0417724 1.2866805 3349.4362
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4000 2.0084889 0.10591744 2.1110589 0.41080478 6315.195
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5000 2.0845189 0.074837406 2.1558821 0.32123703 7787.3569
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6000 2.0635646 0.12699208 2.1871174 0.55212245 5811.0643
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7000 2.0511741 0.13194486 2.1797003 0.75534937 4447.7483
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8000 2.0057569 0.14524464 2.1476586 0.93321505 4260.455
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9000 1.9863917 0.16294985 2.1460309 0.85687596 4264.0791
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10000 1.9867944 0.17403524 2.1575183 1.019418 3985.5163
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Loop time of 13.1171 on 1 procs for 10000 steps with 900 atoms
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Pair time (%) = 8.49344 (64.7507)
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Neigh time (%) = 1.7079 (13.0204)
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Comm time (%) = 0.409296 (3.12032)
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Outpt time (%) = 0.224203 (1.70924)
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Other time (%) = 2.28229 (17.3993)
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Nlocal: 900 ave 900 max 900 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 648 ave 648 max 648 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 9057 ave 9057 max 9057 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 9057
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Ave neighs/atom = 10.0633
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Neighbor list builds = 777
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Dangerous builds = 0
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