forked from lijiext/lammps
71 lines
2.7 KiB
Groff
71 lines
2.7 KiB
Groff
LAMMPS (1 Feb 2013)
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# 2d polygon nparticle bodies
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units lj
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dimension 2
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atom_style body nparticle 2 6
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read_data data.body
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orthogonal box = (-15.5322 -15.5322 -0.5) to (15.5322 15.5322 0.5)
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2 by 2 by 1 MPI processor grid
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100 atoms
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100 bodies
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velocity all create 1.44 87287 loop geom
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pair_style body 5.0
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pair_coeff * * 1.0 1.0
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neighbor 0.3 bin
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fix 1 all nve/body
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fix 2 all enforce2d
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#compute 1 all body/local type 1 2 3
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#dump 2 all local 100 dump.body index c_1[1] c_1[2] c_1[3] c_1[4]
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thermo 500
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run 10000
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Memory usage per processor = 3.10704 Mbytes
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Step Temp E_pair E_mol TotEng Press
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0 1.44 -0.63799525 0 0.78760475 -0.15028724
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500 1.5537157 -1.5243356 0 0.013843001 0.2654775
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1000 1.5681616 -1.8003444 0 -0.2478644 0.07601415
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1500 1.6994347 -1.7246456 0 -0.042205239 0.36645011
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2000 1.6586974 -1.6970115 0 -0.054901078 0.10137999
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2500 1.7878623 -1.8213737 0 -0.051390011 0.35530747
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3000 1.7043715 -1.6613359 0 0.025991881 0.27048518
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3500 1.6313416 -1.5250929 0 0.089935264 0.10510436
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4000 1.5883641 -1.7692022 0 -0.1967218 0.50882304
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4500 1.5897207 -1.5634198 0 0.010403642 0.24598267
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5000 1.4849734 -1.5512049 0 -0.081081244 -0.028399888
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5500 1.6074988 -1.7000582 0 -0.10863448 0.42879191
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6000 1.6106093 -1.5850749 0 0.0094282394 0.4115976
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6500 1.8169151 -1.7996899 0 -0.00094400747 0.21677584
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7000 1.5487579 -1.6028263 0 -0.069555913 0.23742891
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7500 1.7231927 -1.8001082 0 -0.094147408 -0.016712191
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8000 1.5832288 -1.7242109 0 -0.15681439 0.33204
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8500 1.9002455 -1.866332 0 0.014911066 0.28393405
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9000 1.5916225 -1.6032424 0 -0.027536096 0.48213053
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9500 1.6326075 -1.7974673 0 -0.18118584 0.078132294
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10000 1.3851677 -1.49406 0 -0.12274404 0.18606978
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Loop time of 0.70715 on 4 procs for 10000 steps with 100 atoms
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Pair time (%) = 0.471205 (66.6343)
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Neigh time (%) = 0.00455165 (0.643661)
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Comm time (%) = 0.174367 (24.6578)
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Outpt time (%) = 0.000492573 (0.069656)
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Other time (%) = 0.0565341 (7.99463)
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Nlocal: 25 ave 25 max 25 min
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Histogram: 4 0 0 0 0 0 0 0 0 0
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Nghost: 43.75 ave 48 max 40 min
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Histogram: 1 1 0 0 0 0 0 1 0 1
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Neighs: 101.5 ave 113 max 91 min
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Histogram: 1 1 0 0 0 0 0 1 0 1
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Total # of neighbors = 406
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Ave neighs/atom = 4.06
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Neighbor list builds = 805
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Dangerous builds = 97
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