mirror of https://github.com/lammps/lammps.git
178 lines
9.7 KiB
Groff
178 lines
9.7 KiB
Groff
LAMMPS (27 Nov 2018)
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using 1 OpenMP thread(s) per MPI task
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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/nparticle 5.0
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pair_coeff * * 1.0 1.0
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neighbor 0.5 bin
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neigh_modify every 1 delay 0 check yes
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fix 1 all nve/body
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#fix 1 all nvt/body temp 1.44 1.44 1.0
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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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#dump 2 all image 1000 image.*.jpg type type # zoom 1.6 adiam 1.5 body type 1.0 0
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#dump_modify 2 pad 5
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thermo 100
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run 10000
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Neighbor list info ...
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update every 1 steps, delay 0 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 5.5
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ghost atom cutoff = 5.5
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binsize = 2.75, bins = 12 12 1
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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair body/nparticle, perpetual
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attributes: half, newton on
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pair build: half/bin/atomonly/newton
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stencil: half/bin/2d/newton
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bin: standard
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Per MPI rank memory allocation (min/avg/max) = 4.772 | 4.772 | 4.772 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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100 1.642337 -1.0003869 0 0.62552682 0.16140818
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200 1.470473 -1.2465469 0 0.20922135 0.35146925
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300 1.4834687 -1.3464946 0 0.12213946 0.40783535
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400 1.5075814 -1.6170041 0 -0.12449852 0.11302717
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500 1.5681124 -1.6060641 0 -0.053632801 0.23819933
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600 1.7129405 -1.6939468 0 0.0018642497 0.46490776
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700 1.5803869 -1.6182998 0 -0.053716823 0.36807869
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800 1.6454324 -1.6537709 0 -0.024792836 0.21305673
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900 1.5454528 -1.6310447 0 -0.10104644 0.22323772
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1000 1.7596217 -1.7290976 0 0.012927885 0.12600944
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1100 1.3845533 -1.635035 0 -0.26432721 0.31778997
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1200 1.6448321 -1.6985254 0 -0.070141617 0.14347958
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1300 1.6158541 -1.581817 0 0.017878542 0.16186588
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1400 1.4702758 -1.5210898 0 -0.065516797 0.35241206
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1500 1.5746718 -1.5427933 0 0.016131764 0.21832857
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1600 1.5276572 -1.6755951 0 -0.16321447 -0.046196207
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1700 1.8182153 -1.7471337 0 0.052899504 0.14576284
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1800 1.8054446 -1.8814075 0 -0.094017352 0.11678153
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1900 1.6318148 -1.636557 0 -0.021060353 0.29300401
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2000 1.6187604 -1.5563087 0 0.046264125 0.35910875
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2100 1.8270056 -1.9189599 0 -0.11022441 -0.031374982
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2200 1.8203075 -1.8672658 0 -0.065161309 0.38667462
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2300 2.1336292 -1.8962621 0 0.2160309 0.13286893
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2400 1.79223 -1.7128682 0 0.061439536 0.30570635
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2500 1.7208941 -1.6955053 0 0.0081798834 0.24562038
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2600 1.7755824 -1.7744614 0 -0.016634836 0.11148721
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2700 1.7308273 -1.744062 0 -0.030542972 0.17938105
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2800 1.7059134 -1.6131603 0 0.075694024 0.06746694
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2900 1.7152544 -1.665102 0 0.032999854 0.14918116
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3000 1.7917767 -1.6654545 0 0.10840436 0.22990289
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3100 1.7153899 -1.8140872 0 -0.11585128 0.1070804
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3200 1.5704305 -1.5645642 0 -0.0098380461 0.30331339
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3300 1.6707504 -1.6224865 0 0.03155641 0.21402203
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3400 1.7390711 -1.6969145 0 0.024765924 0.25633302
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3500 1.7601895 -1.7159833 0 0.026604288 0.10350991
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3600 1.7796243 -1.6848496 0 0.076978483 0.24287746
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3700 1.8883198 -1.7216992 0 0.14773748 0.071179538
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3800 1.5757461 -1.6445584 0 -0.084569808 0.23580968
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3900 1.5509957 -1.6221122 0 -0.086626425 0.2208604
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4000 1.7403415 -1.6515882 0 0.071349901 0.171317
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4100 1.6394046 -1.69549 0 -0.072479406 0.18077211
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4200 1.788413 -1.6410039 0 0.12952501 0.41737981
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4300 1.7211754 -1.6535323 0 0.050431306 0.1688929
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4400 1.6034779 -1.7771275 0 -0.18968442 0.091947982
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4500 1.5692666 -1.6176359 0 -0.064061965 0.31716418
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4600 1.6454802 -1.5764942 0 0.052531194 0.021026463
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4700 1.4715049 -1.582096 0 -0.12530612 0.17687943
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4800 1.5615071 -1.6276031 0 -0.081711137 0.077798682
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4900 1.6407636 -1.622773 0 0.0015829265 0.28751203
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5000 1.6390013 -1.7257036 0 -0.10309236 0.35133795
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5100 1.6540912 -1.7056399 0 -0.068089648 0.52254354
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5200 1.6438013 -1.7568895 0 -0.12952624 0.16423828
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5300 1.6791806 -1.756297 0 -0.093908192 0.3151943
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5400 1.7527095 -1.729977 0 0.0052053655 0.29874227
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5500 1.7604924 -1.6920395 0 0.050847912 0.2062502
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5600 1.8225025 -1.6746221 0 0.12965535 0.29423091
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5700 1.6896356 -1.6591445 0 0.013594822 0.41582329
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5800 1.575776 -1.6605307 0 -0.10051246 0.17434812
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5900 1.6893771 -1.6046258 0 0.067857462 0.188486
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6000 1.6506959 -1.6295482 0 0.0046407782 0.18737656
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6100 1.8137143 -1.6634096 0 0.13216758 0.22425414
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6200 1.6337368 -1.6016206 0 0.015778794 0.17026591
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6300 1.6232904 -1.7102709 0 -0.10321339 0.22621086
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6400 1.8146767 -1.7354533 0 0.061076657 0.25907309
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6500 1.5565608 -1.8652953 0 -0.32430015 0.096916202
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6600 1.6366532 -1.65732 0 -0.037033272 0.30276466
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6700 1.6612051 -1.6621545 0 -0.017561423 0.16685109
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6800 1.5574268 -1.6082827 0 -0.066430166 0.37630931
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6900 1.6556225 -1.6744213 0 -0.035355078 0.11599545
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7000 1.5078585 -1.6049482 0 -0.11216833 0.37716682
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7100 1.6147622 -1.7044793 0 -0.10586467 0.48915924
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7200 1.8022216 -1.7117836 0 0.072415791 0.24007939
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7300 1.6302834 -1.8522784 0 -0.23829784 0.19326557
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7400 1.7108472 -1.8993043 0 -0.20556558 0.34554364
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7500 1.8570536 -1.7135598 0 0.12492326 0.53728185
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7600 1.7812105 -1.7239897 0 0.039408716 0.44348124
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7700 1.8724942 -1.7871204 0 0.066648837 0.2529344
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7800 1.8237412 -1.6467621 0 0.15874169 0.2354529
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7900 1.7222899 -1.7254585 0 -0.02039155 0.13271481
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8000 1.6839 -1.5913695 0 0.075691547 0.011932379
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8100 1.599835 -1.672507 0 -0.088670351 0.11203274
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8200 1.8369376 -1.7464532 0 0.072115105 0.21380276
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8300 1.9603301 -1.9121791 0 0.02854768 0.18178367
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8400 1.7903688 -1.8798475 0 -0.10738231 0.37173469
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8500 1.687183 -1.760587 0 -0.090275846 0.23751647
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8600 1.6515772 -1.7918091 0 -0.15674775 0.099895142
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8700 1.7083909 -1.7297068 0 -0.038399775 0.57093506
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8800 1.6150569 -1.6976608 0 -0.098754502 0.15348519
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8900 1.5452011 -1.7517421 0 -0.22199306 0.22143091
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9000 1.7498686 -1.8569695 0 -0.12459962 0.1989093
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9100 1.6287336 -1.7505293 0 -0.13808305 0.23881397
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9200 1.5431194 -1.6845999 0 -0.15691169 0.10646288
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9300 1.4900229 -1.5671955 0 -0.092072887 0.31588548
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9400 1.523362 -1.5531592 0 -0.045030785 0.21546483
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9500 1.5783775 -1.65292 0 -0.090326215 0.25980559
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9600 1.9192786 -1.9303222 0 -0.030236392 -0.0046632743
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9700 1.747544 -1.7886479 0 -0.058579385 0.38543046
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9800 1.6713187 -1.6842507 0 -0.029645137 0.17982115
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9900 1.7707351 -1.6638268 0 0.089200949 0.2983883
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10000 1.6466807 -1.592436 0 0.037777866 0.12761693
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Loop time of 1.76365 on 1 procs for 10000 steps with 100 atoms
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Performance: 2449465.017 tau/day, 5670.058 timesteps/s
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98.9% CPU use with 1 MPI tasks x 1 OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 1.5533 | 1.5533 | 1.5533 | 0.0 | 88.08
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Neigh | 0.01155 | 0.01155 | 0.01155 | 0.0 | 0.65
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Comm | 0.042146 | 0.042146 | 0.042146 | 0.0 | 2.39
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Output | 0.00089574 | 0.00089574 | 0.00089574 | 0.0 | 0.05
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Modify | 0.14124 | 0.14124 | 0.14124 | 0.0 | 8.01
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Other | | 0.01448 | | | 0.82
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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: 82 ave 82 max 82 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 467 ave 467 max 467 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 467
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Ave neighs/atom = 4.67
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Neighbor list builds = 468
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Dangerous builds = 0
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Total wall time: 0:00:01
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