forked from lijiext/lammps
72 lines
2.7 KiB
Groff
72 lines
2.7 KiB
Groff
LAMMPS (1 Feb 2014)
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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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1 by 1 by 1 MPI processor grid
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reading atoms ...
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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 1 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 = 3.22547 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 -0.04220525 0.3664501
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2000 1.6587022 -1.6970163 0 -0.054901081 0.10137795
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2500 1.7859516 -1.8212698 0 -0.053177671 0.35400181
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3000 1.7865459 -1.730183 0 0.038497352 0.28330983
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3500 2.0521408 -1.98222 0 0.049399375 0.088928245
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4000 1.721448 -1.7409775 0 -0.036743968 0.12815274
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4500 1.6189244 -1.7257177 0 -0.12298249 0.21501422
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5000 1.5828072 -1.6501894 0 -0.083210213 0.33447691
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5500 1.8562352 -1.7632936 0 0.074379269 0.24273308
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6000 1.4818079 -1.6942298 0 -0.22723999 0.22470999
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6500 1.5229137 -1.6249423 0 -0.11725778 -0.043041211
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7000 1.5930761 -1.5349749 0 0.04217044 0.072621368
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7500 1.7251412 -1.7620322 0 -0.05414237 -0.052083575
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8000 1.7843737 -1.6422594 0 0.12427062 0.3924994
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8500 1.9344759 -1.7880774 0 0.12705368 0.32652919
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9000 1.6338929 -1.6889133 0 -0.071359354 0.3793827
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9500 1.5180082 -1.7729127 0 -0.27008457 0.27223707
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10000 1.6133128 -1.7939587 0 -0.19677903 0.18983194
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Loop time of 2.02213 on 1 procs for 10000 steps with 100 atoms
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Pair time (%) = 1.79877 (88.9544)
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Neigh time (%) = 0.0161726 (0.799784)
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Comm time (%) = 0.0302939 (1.49812)
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Outpt time (%) = 0.000165939 (0.00820618)
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Other time (%) = 0.176724 (8.7395)
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Nlocal: 100 ave 100 max 100 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 85 ave 85 max 85 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 424 ave 424 max 424 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 424
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Ave neighs/atom = 4.24
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Neighbor list builds = 795
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Dangerous builds = 83
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