181 lines
11 KiB
Groff
181 lines
11 KiB
Groff
LAMMPS (28 Mar 2023 - Development)
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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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Reading data file ...
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orthogonal box = (-15.532225 -15.532225 -0.5) to (15.532225 15.532225 0.5)
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2 by 2 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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read_data CPU = 0.001 seconds
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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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Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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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
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bin: standard
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Per MPI rank memory allocation (min/avg/max) = 5.268 | 5.268 | 5.268 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 1.6423663 -1.000111 0 0.62583161 0.16116978
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200 1.4802732 -1.2478364 0 0.21763407 0.35464152
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300 1.4735433 -1.3211072 0 0.13770068 0.45307413
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400 1.5119491 -1.5930779 0 -0.096248286 0.13119532
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500 1.5449834 -1.6300143 0 -0.10048065 0.12635421
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600 1.621105 -1.6459036 0 -0.041009639 0.43837884
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700 1.5959719 -1.6348501 0 -0.054837867 0.13233006
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800 1.6862723 -1.6902254 0 -0.020815854 0.20072937
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900 1.6771131 -1.6544493 0 0.0058926625 0.34898089
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1000 1.5867 -1.6797024 0 -0.10886943 0.33511593
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1100 1.7842277 -1.6814985 0 0.084886913 0.23634574
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1200 1.7089241 -1.6766866 0 0.015148192 0.40440454
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1300 1.6195529 -1.6078381 0 -0.004480726 0.12193834
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1400 1.5967912 -1.563198 0 0.017625291 0.2233618
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1500 1.6131091 -1.5731367 0 0.023841282 0.13856054
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1600 1.6096972 -1.5741595 0 0.01944073 0.096081201
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1700 1.6099281 -1.5875363 0 0.0062924683 0.28628509
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1800 1.7328539 -1.5696894 0 0.14583598 0.2202503
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1900 1.6433157 -1.6659757 0 -0.039093124 0.12006746
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2000 1.8262234 -1.778379 0 0.029582122 0.17815935
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2100 1.7441298 -1.704871 0 0.021817442 0.30772022
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2200 1.7933363 -1.7246149 0 0.050788098 0.11323852
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2300 1.7458809 -1.7186101 0 0.0098120012 0.0034260299
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2400 1.8202324 -1.7777769 0 0.024253178 0.089077551
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2500 1.691512 -1.6976236 0 -0.023026761 0.23901369
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2600 1.6221153 -1.639172 0 -0.033277785 0.36881214
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2700 1.5532388 -1.7286197 0 -0.19091334 0.1714534
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2800 1.6648128 -1.7298542 0 -0.081689467 0.0077427265
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2900 1.6548465 -1.7126766 0 -0.074378524 0.096972027
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3000 1.604345 -1.7210036 0 -0.13270205 0.25227471
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3100 1.67823 -1.6537385 0 0.0077092269 0.13198555
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3200 1.4695581 -1.5609142 0 -0.10605159 0.28909806
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3300 1.6778332 -1.7396206 0 -0.078565681 0.25069132
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3400 1.7588934 -1.680043 0 0.061261505 0.28609454
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3500 1.6699117 -1.7762865 0 -0.12307397 0.2584648
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3600 1.5951406 -1.6611845 0 -0.081995282 0.35801267
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3700 1.5267137 -1.6371603 0 -0.12571366 0.6116418
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3800 1.6792717 -1.638182 0 0.024296953 0.43447072
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3900 1.5857658 -1.6607833 0 -0.09087513 0.19479457
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4000 1.6062152 -1.5436014 0 0.046551586 0.55118141
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4100 1.5505892 -1.5259333 0 0.0091500726 0.49075107
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4200 1.6933 -1.6314975 0 0.044869524 0.032970187
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4300 1.6498743 -1.7298746 0 -0.096499053 0.14837573
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4400 1.6535324 -1.7095911 0 -0.072593998 0.24207879
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4500 1.835466 -1.7677327 0 0.049378652 0.18168744
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4600 1.7346556 -1.6379956 0 0.07931344 0.49973778
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4700 1.8050359 -1.8354358 0 -0.048450223 -0.037354111
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4800 1.6361661 -1.7741414 0 -0.15433697 0.36409064
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4900 1.6511224 -1.7703808 0 -0.13576956 0.23794467
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5000 1.6249047 -1.6516641 0 -0.043008453 0.15155643
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5100 1.6842561 -1.7128485 0 -0.045434914 0.30999124
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5200 1.6153583 -1.630441 0 -0.031236245 -0.0083460068
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5300 1.6806066 -1.6907533 0 -0.026952801 0.16886559
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5400 1.7541932 -1.7161908 0 0.020460503 0.16560614
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5500 1.8643473 -1.7810235 0 0.064680293 0.061200837
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5600 1.5963536 -1.6145484 0 -0.034158307 0.47888104
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5700 1.7385482 -1.7214092 0 -0.00024648083 0.22078849
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5800 1.6726308 -1.6987799 0 -0.042875376 0.46131938
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5900 1.7830081 -1.7766484 0 -0.011470422 0.12597212
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6000 1.9057941 -1.719849 0 0.16688715 0.37367068
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6100 1.6882353 -1.6888488 0 -0.0174959 0.33635307
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6200 1.8644261 -1.7435021 0 0.10227973 0.54157135
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6300 1.8043895 -1.8169618 0 -0.030616242 0.20596562
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6400 1.8745855 -1.7752732 0 0.080566434 0.18365661
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6500 1.8330698 -1.6984304 0 0.11630864 0.058109254
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6600 1.8006644 -1.7398524 0 0.042805376 0.17509961
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6700 1.7471279 -1.7009995 0 0.0286571 0.13439557
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6800 1.7077006 -1.7462928 0 -0.055669263 0.16474264
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6900 1.7602738 -1.8336138 0 -0.090942793 0.37533762
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7000 1.6962037 -1.7746381 0 -0.095396485 0.28764793
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7100 1.6040275 -1.652448 0 -0.064460796 0.47621288
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7200 1.7595892 -1.6260406 0 0.11595278 0.55174207
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7300 1.8031743 -1.7436876 0 0.041454978 0.35699364
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7400 1.6575485 -1.5994276 0 0.041545422 0.38389368
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7500 1.8539985 -1.6888181 0 0.14664046 0.25524239
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7600 1.6721617 -1.6819419 0 -0.026501825 0.18077253
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7700 1.4696976 -1.5368001 0 -0.081799475 0.37392274
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7800 1.6532125 -1.6604679 0 -0.023787555 0.25683053
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7900 1.5890818 -1.711541 0 -0.13834993 0.28943398
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8000 1.6729844 -1.674981 0 -0.01872644 0.1725141
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8100 1.6041427 -1.7188678 0 -0.13076654 0.22948004
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8200 1.7000012 -1.5584259 0 0.12457532 0.82913741
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8300 1.6662649 -1.8411986 0 -0.19159634 0.40893581
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8400 1.6031593 -1.8225478 0 -0.23542004 0.21287004
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8500 1.6615542 -1.685667 0 -0.040728376 0.40063656
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8600 1.6094262 -1.7942547 0 -0.20092282 0.28738874
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8700 1.6040855 -1.6483081 0 -0.060263486 0.22614876
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8800 1.6658931 -1.6751256 0 -0.025891437 0.027723314
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8900 1.7989105 -1.7318497 0 0.049071648 0.27645866
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9000 1.8242262 -1.6879124 0 0.11807158 0.21701732
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9100 1.6795701 -1.6926952 0 -0.029920813 0.28702517
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9200 1.8093352 -1.8430841 0 -0.051842329 0.04182244
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9300 1.7654746 -1.7580453 0 -0.010225436 0.41460279
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9400 1.9494599 -1.7162713 0 0.21369396 0.22445951
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9500 1.8650839 -1.6517629 0 0.19467014 0.34042974
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9600 1.8080088 -1.651068 0 0.13886064 0.38597156
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9700 1.757349 -1.6397227 0 0.10005277 0.12075072
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9800 1.8111959 -1.7155458 0 0.077538075 0.023545696
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9900 1.7255423 -1.7364511 0 -0.02816423 0.24284116
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10000 1.794001 -1.7545014 0 0.021559597 0.15092078
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Loop time of 0.461554 on 4 procs for 10000 steps with 100 atoms
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Performance: 9359693.727 tau/day, 21665.958 timesteps/s, 2.167 Matom-step/s
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93.5% CPU use with 4 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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Pair | 0.21335 | 0.24947 | 0.30554 | 7.2 | 54.05
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Neigh | 0.0016861 | 0.0018238 | 0.0019357 | 0.2 | 0.40
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Comm | 0.078727 | 0.14542 | 0.19247 | 10.9 | 31.51
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Output | 0.00086191 | 0.0026451 | 0.0079866 | 6.0 | 0.57
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Modify | 0.028228 | 0.029642 | 0.030811 | 0.5 | 6.42
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Other | | 0.03255 | | | 7.05
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Nlocal: 25 ave 28 max 21 min
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Histogram: 1 0 0 0 0 1 0 1 0 1
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Nghost: 47.5 ave 50 max 46 min
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Histogram: 2 0 0 0 0 1 0 0 0 1
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Neighs: 117.25 ave 144 max 91 min
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Histogram: 1 0 0 1 0 0 1 0 0 1
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Total # of neighbors = 469
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Ave neighs/atom = 4.69
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Neighbor list builds = 494
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Dangerous builds = 0
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Total wall time: 0:00:00
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