93 lines
3.2 KiB
Plaintext
93 lines
3.2 KiB
Plaintext
LAMMPS (5 Jun 2010-ICMS)
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# Point dipoles in a 2d box
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units lj
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atom_style dipole
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dimension 2
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lattice sq2 0.7
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Lattice spacing in x,y,z = 1.69031 1.69031 1.69031
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region box block 0 20 0 20 -0.5 0.5
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create_box 1 box
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Created orthogonal box = (0 0 -0.845154) to (33.8062 33.8062 0.845154)
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2 by 2 by 1 processor grid
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using 1 OpenMP thread(s) per MPI task
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create_atoms 1 box
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Created 800 atoms
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replicate 2 2 1
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orthogonal box = (0 0 -0.845154) to (67.6123 67.6123 0.845154)
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2 by 2 by 1 processor grid
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using 1 OpenMP thread(s) per MPI task
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3200 atoms
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mass 1 1.0
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shape 1 1 1 1
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dipole 1 0.75
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set group all dipole/random 98934
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3200 settings made for dipole/random
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velocity all create 0.0 87287 mom no
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pair_style dipole/cut 2.5
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pair_coeff * * 1.0 1.0
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neighbor 0.3 bin
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neigh_modify delay 0
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fix 1 all nve/sphere update dipole
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fix 2 all enforce2d
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timestep 0.005
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compute erot all erotate/sphere
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thermo_style custom step temp epair c_erot etotal press
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thermo 500
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dump 1 all custom 200 dump.dipole id type x y z mux muy muz
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run 10000
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Memory usage per processor = 2.40709 Mbytes
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Step Temp E_pair erot TotEng Press
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0 0 -2.178622 0 -2.178622 -2.562119
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500 0.36688879 -2.7755154 0.21403629 -2.4087413 -0.38681508
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1000 0.40425759 -2.8046654 0.20856648 -2.4005342 -0.14106187
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1500 0.41293889 -2.8141243 0.21108148 -2.4013144 -0.12977998
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2000 0.41231561 -2.806553 0.21047 -2.3943663 -0.16387998
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2500 0.42615243 -2.8200798 0.2160809 -2.3940605 -0.077511627
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3000 0.42508064 -2.8191057 0.22439429 -2.3941579 -0.059233756
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3500 0.43509817 -2.8188102 0.21730703 -2.383848 -0.029975948
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4000 0.43592158 -2.8266013 0.23260654 -2.390816 -0.096619649
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4500 0.43095955 -2.8142679 0.22989941 -2.383443 -0.15587195
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5000 0.43636803 -2.8131934 0.22904652 -2.3769617 -0.040225338
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5500 0.44844211 -2.8136236 0.22368974 -2.3653216 0.090483564
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6000 0.44261065 -2.795768 0.21787859 -2.3532957 0.12042835
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6500 0.43674753 -2.8002305 0.23621441 -2.3636194 -0.024381095
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7000 0.43664113 -2.7875499 0.22994752 -2.3510452 -0.084449238
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7500 0.43824426 -2.7771572 0.22542392 -2.3390499 -0.11952406
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8000 0.45472793 -2.7881104 0.22539734 -2.3335246 -0.071372859
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8500 0.45948038 -2.7988437 0.23623733 -2.339507 -0.049997099
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9000 0.45704462 -2.7963804 0.24284138 -2.3394786 -0.098011643
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9500 0.46209912 -2.797785 0.24426829 -2.3358302 -0.019833689
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10000 0.46225413 -2.7893962 0.24446622 -2.3272865 0.011888694
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Loop time of 6.31824 on 4 procs / 1 threads for 10000 steps with 3200 atoms
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Pair time (%) = 4.47101 (70.7636)
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Neigh time (%) = 0.218914 (3.46479)
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Comm time (%) = 0.535696 (8.47857)
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Outpt time (%) = 0.419746 (6.64341)
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Other time (%) = 0.672866 (10.6496)
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Nlocal: 800 ave 858 max 753 min
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Histogram: 1 0 1 0 0 1 0 0 0 1
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Nghost: 276.5 ave 295 max 252 min
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Histogram: 1 0 0 0 0 1 1 0 0 1
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Neighs: 6714.75 ave 7299 max 6284 min
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Histogram: 1 1 0 0 1 0 0 0 0 1
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Total # of neighbors = 26859
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Ave neighs/atom = 8.39344
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Neighbor list builds = 846
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Dangerous builds = 0
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