345 lines
23 KiB
Groff
345 lines
23 KiB
Groff
LAMMPS (22 Dec 2022)
|
|
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
|
|
using 1 OpenMP thread(s) per MPI task
|
|
# 2d Lennard-Jones melt and subsequent energy minimization
|
|
|
|
units lj
|
|
dimension 2
|
|
atom_style atomic
|
|
|
|
lattice sq2 0.8442
|
|
Lattice spacing in x,y,z = 1.5391903 1.5391903 1.5391903
|
|
region box block 0 20 0 20 -0.1 0.1
|
|
create_box 1 box
|
|
Created orthogonal box = (0 0 -0.15391903) to (30.783806 30.783806 0.15391903)
|
|
2 by 2 by 1 MPI processor grid
|
|
create_atoms 1 box
|
|
Created 800 atoms
|
|
using lattice units in orthogonal box = (0 0 -0.15391903) to (30.783806 30.783806 0.15391903)
|
|
create_atoms CPU = 0.000 seconds
|
|
mass 1 1.0
|
|
|
|
velocity all create 5.0 87287 loop geom
|
|
|
|
pair_style lj/cut 2.5
|
|
pair_coeff 1 1 1.0 1.0 2.5
|
|
pair_modify shift yes
|
|
|
|
neighbor 0.3 bin
|
|
neigh_modify delay 0 every 1 check yes
|
|
|
|
fix 1 all nve
|
|
fix 2 all enforce2d
|
|
|
|
#dump 1 all atom 100 dump.min
|
|
|
|
#dump 2 all image 50 image.*.jpg type type # zoom 1.6 adiam 1.5
|
|
#dump_modify 2 pad 4
|
|
|
|
#dump 3 all movie 50 movie.mpg type type # zoom 1.6 adiam 1.5
|
|
#dump_modify 3 pad 4
|
|
|
|
thermo 100
|
|
|
|
run 1000
|
|
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
|
|
Neighbor list info ...
|
|
update: every = 1 steps, delay = 0 steps, check = yes
|
|
max neighbors/atom: 2000, page size: 100000
|
|
master list distance cutoff = 2.8
|
|
ghost atom cutoff = 2.8
|
|
binsize = 1.4, bins = 22 22 1
|
|
1 neighbor lists, perpetual/occasional/extra = 1 0 0
|
|
(1) pair lj/cut, perpetual
|
|
attributes: half, newton on
|
|
pair build: half/bin/atomonly/newton
|
|
stencil: half/bin/2d
|
|
bin: standard
|
|
Per MPI rank memory allocation (min/avg/max) = 3.05 | 3.05 | 3.05 Mbytes
|
|
Step Temp E_pair E_mol TotEng Press
|
|
0 5 -2.461717 0 2.532033 5.0190509
|
|
100 3.2788864 -0.74311698 0 2.5316708 15.912832
|
|
200 3.3041082 -0.77000277 0 2.5299752 15.602653
|
|
300 3.3840228 -0.84859211 0 2.5312006 15.188203
|
|
400 3.3916063 -0.85694601 0 2.5304208 15.383853
|
|
500 3.3136053 -0.77935264 0 2.5301106 15.833296
|
|
600 3.3888915 -0.85213737 0 2.532518 15.162759
|
|
700 3.2123636 -0.67641846 0 2.5319297 16.31059
|
|
800 3.3016408 -0.76570603 0 2.5318077 15.639259
|
|
900 3.4621697 -0.92610292 0 2.5317391 14.773473
|
|
1000 3.3058424 -0.77076863 0 2.5309414 15.708171
|
|
Loop time of 0.0588913 on 4 procs for 1000 steps with 800 atoms
|
|
|
|
Performance: 7335552.046 tau/day, 16980.445 timesteps/s, 13.584 Matom-step/s
|
|
98.7% CPU use with 4 MPI tasks x 1 OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 0.024964 | 0.02792 | 0.030643 | 1.5 | 47.41
|
|
Neigh | 0.010975 | 0.011606 | 0.012269 | 0.5 | 19.71
|
|
Comm | 0.0095737 | 0.013082 | 0.016679 | 2.7 | 22.21
|
|
Output | 0.00013801 | 0.00014597 | 0.00016834 | 0.0 | 0.25
|
|
Modify | 0.0024482 | 0.002784 | 0.0031165 | 0.6 | 4.73
|
|
Other | | 0.003353 | | | 5.69
|
|
|
|
Nlocal: 200 ave 202 max 196 min
|
|
Histogram: 1 0 0 0 0 0 0 0 2 1
|
|
Nghost: 170.25 ave 174 max 167 min
|
|
Histogram: 1 0 1 0 0 1 0 0 0 1
|
|
Neighs: 1934.75 ave 1972 max 1873 min
|
|
Histogram: 1 0 0 0 0 0 1 0 1 1
|
|
|
|
Total # of neighbors = 7739
|
|
Ave neighs/atom = 9.67375
|
|
Neighbor list builds = 203
|
|
Dangerous builds = 0
|
|
|
|
neigh_modify delay 0 every 1 check yes
|
|
|
|
#dump_modify 1 every 25
|
|
|
|
thermo 50
|
|
min_style fire
|
|
min_modify alpha0 0.10 integrator verlet abcfire yes
|
|
minimize 0.0 1.0e-6 10000 10000
|
|
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
|
|
Parameters for fire:
|
|
dmax delaystep dtgrow dtshrink alpha0 alphashrink tmax tmin integrator halfstepback abcfire
|
|
0.1 20 1.1 0.5 0.1 0.99 10 0.02 verlet yes yes
|
|
Per MPI rank memory allocation (min/avg/max) = 3.05 | 3.05 | 3.05 Mbytes
|
|
Step Temp E_pair E_mol TotEng Press
|
|
1000 0 -0.77076863 0 -0.77076863 12.920868
|
|
1050 0.00010598264 -2.5792522 0 -2.5791463 0.64473973
|
|
1100 0.03027175 -2.6328498 0 -2.6026159 0.2541787
|
|
1150 323.9858 -2.7164686 0 320.86434 272.74119
|
|
1200 56.485417 -2.7532201 0 53.66159 46.934369
|
|
1250 73.084131 -2.7775887 0 70.215187 60.746418
|
|
1300 0.0093732028 -2.7997864 0 -2.7904249 -1.0074958
|
|
1350 93.878481 -2.8062131 0 90.954919 78.091421
|
|
1400 0.6750509 -2.8221348 0 -2.1479277 -0.54104683
|
|
1450 0.0055051479 -2.8260616 0 -2.8205634 -1.1494169
|
|
1500 3.3902835 -2.8365598 0 0.54948584 1.6598584
|
|
1550 29.496272 -2.8383251 0 26.621076 23.661825
|
|
1600 0.0091418689 -2.84573 0 -2.8365995 -1.1787269
|
|
1650 8.4344129 -2.8497187 0 5.5741512 5.9590955
|
|
1700 0.10674005 -2.8507709 0 -2.7441642 -1.0718813
|
|
1750 7.20426 -2.8557542 0 4.3395005 4.9437898
|
|
1800 0.00031723645 -2.8560464 0 -2.8557295 -1.1295679
|
|
1850 1.1409309e-06 -2.8584866 0 -2.8584854 -1.0835251
|
|
1900 4.7906705e-09 -2.8611123 0 -2.8611123 -1.1209731
|
|
1950 0.22147058 -2.8637034 0 -2.6425097 -0.92253465
|
|
2000 11.919205 -2.8648332 0 9.0394729 8.931184
|
|
2050 0.39845744 -2.8670638 0 -2.4691044 -0.78870813
|
|
2100 0.0018060136 -2.8678755 0 -2.8660718 -1.1401064
|
|
2150 6.1670181e-08 -2.8680767 0 -2.8680767 -1.1437786
|
|
2200 0.099863808 -2.8692437 0 -2.7695048 -1.0675837
|
|
2250 0.33619031 -2.8695453 0 -2.5337753 -0.87019569
|
|
2300 1.1420775 -2.8697446 0 -1.7290946 -0.19154811
|
|
2350 26.007767 -2.871085 0 23.104172 20.77429
|
|
2400 0.81624697 -2.8713446 0 -2.056118 -0.46963695
|
|
2450 0.16129922 -2.8719473 0 -2.7108497 -1.0273675
|
|
2500 0.13358468 -2.8720241 0 -2.7386064 -1.0508496
|
|
2550 2.1890251e-10 -2.8737691 0 -2.8737691 -1.1460915
|
|
2600 12.056761 -2.8747274 0 9.1669625 9.0316114
|
|
2650 0.0026843506 -2.8762831 0 -2.8736021 -1.0982461
|
|
2700 8.8309042e-08 -2.8770896 0 -2.8770896 -1.0929417
|
|
2750 0.54622385 -2.8777851 0 -2.3322441 -0.62256412
|
|
2800 3.4961005 -2.8782563 0 0.6134741 1.8750005
|
|
2850 0.49354305 -2.878997 0 -2.3860708 -0.63389989
|
|
2900 0.067016355 -2.8794701 0 -2.8125375 -0.99159097
|
|
2950 3.3736617 -2.8801251 0 0.48931947 1.8094173
|
|
3000 0.35235313 -2.8802611 0 -2.5283484 -0.73732014
|
|
3050 1.4580891e-06 -2.8807623 0 -2.8807609 -1.0268928
|
|
3100 1.7704349 -2.8809397 0 -1.1127178 0.46686701
|
|
3150 1.0925891 -2.8812004 0 -1.789977 -0.094965077
|
|
3200 4.3900434e-06 -2.8812725 0 -2.8812682 -1.0150972
|
|
3250 0.043624435 -2.8813724 0 -2.8378025 -0.98146675
|
|
3300 3.4956699e-06 -2.8813841 0 -2.8813806 -1.0180355
|
|
3350 0.0067612054 -2.8813938 0 -2.874641 -1.0121199
|
|
3400 0.084928532 -2.8814053 0 -2.7965829 -0.94583159
|
|
3450 0.098912502 -2.8818975 0 -2.7831086 -0.93232129
|
|
3500 0.55027418 -2.8821318 0 -2.3325455 -0.56541688
|
|
3550 0.010820692 -2.8821508 0 -2.8713437 -1.0202347
|
|
3600 0.56143927 -2.8823757 0 -2.3216383 -0.55514723
|
|
3650 0.35181831 -2.8824177 0 -2.5310391 -0.73135026
|
|
3700 0.44428427 -2.8825084 0 -2.4387794 -0.65089909
|
|
3750 3.6699042e-05 -2.88345 0 -2.8834133 -1.021457
|
|
3800 6.4946709e-06 -2.8839714 0 -2.8839649 -1.0225998
|
|
3850 0.00079314101 -2.8842278 0 -2.8834356 -1.0208899
|
|
3900 5.4954478e-07 -2.8842449 0 -2.8842444 -1.0215314
|
|
3950 0.00021225082 -2.884312 0 -2.8841 -1.0239565
|
|
4000 7.7993903e-07 -2.8846143 0 -2.8846135 -1.0219204
|
|
4050 1.8671423 -2.884743 0 -1.0199347 0.55251235
|
|
4100 1.3163806 -2.8848956 0 -1.5701605 0.089428222
|
|
4150 0.093914307 -2.8849723 0 -2.7911754 -0.9394604
|
|
4200 1.1321309e-11 -2.8849851 0 -2.8849851 -1.0185225
|
|
4250 0.41624187 -2.8853821 0 -2.4696606 -0.66083116
|
|
4300 1.0901044 -2.8854481 0 -1.7967063 -0.093310008
|
|
4350 0.098622187 -2.8863572 0 -2.7878583 -0.90524962
|
|
4400 0.00072199775 -2.8863966 0 -2.8856755 -0.98832694
|
|
4450 1.6249993e-07 -2.8864205 0 -2.8864203 -0.98917891
|
|
4500 0.091990305 -2.8864382 0 -2.7945629 -0.91178198
|
|
4550 0.50755457 -2.8865218 0 -2.3796016 -0.56332078
|
|
4600 0.08615329 -2.8876906 0 -2.801645 -0.92595604
|
|
4650 0.047984289 -2.8877629 0 -2.8398385 -0.95877087
|
|
4700 11.145392 -2.8881878 0 8.2432728 8.3954532
|
|
4750 5.1283279 -2.8894319 0 2.2324856 3.3049991
|
|
4800 1.7797582 -2.8896867 0 -1.1121532 0.4790376
|
|
4850 0.0094326146 -2.8911091 0 -2.8816882 -1.0233483
|
|
4900 8.9608382e-11 -2.8913726 0 -2.8913726 -1.0252872
|
|
4950 2.2686362 -2.8914744 0 -0.62567396 0.88876109
|
|
5000 0.0177152 -2.8934554 0 -2.8757624 -0.99455844
|
|
5050 5.337591 -2.8938017 0 2.4371172 3.4918841
|
|
5100 0.014503174 -2.893946 0 -2.8794609 -1.0007063
|
|
5150 1.5540564 -2.894003 0 -1.3418892 0.29698682
|
|
5200 4.3170235e-06 -2.8940722 0 -2.8940679 -1.0122978
|
|
5250 5.6448492e-12 -2.894076 0 -2.894076 -1.0122648
|
|
5300 0.12107617 -2.8940867 0 -2.7731618 -0.90980295
|
|
5350 0.00014997148 -2.8941346 0 -2.8939849 -1.0107548
|
|
5400 0.021802249 -2.8953786 0 -2.8736036 -1.0031731
|
|
5450 4.6026554 -2.8956727 0 1.7012294 2.8630442
|
|
5500 2.0661408 -2.8959976 0 -0.8324395 0.72572066
|
|
5550 5.3043277e-05 -2.8962153 0 -2.8961623 -1.0125065
|
|
5600 0.0016058336 -2.8962627 0 -2.8946588 -1.0113875
|
|
5650 0.0012975297 -2.8962706 0 -2.8949747 -1.0116909
|
|
5700 0.026358828 -2.896276 0 -2.8699502 -0.99056147
|
|
5750 0.17342738 -2.8963761 0 -2.7231655 -0.86483478
|
|
5800 0.060934752 -2.8963929 0 -2.8355344 -0.95940713
|
|
5850 0.049824691 -2.8964126 0 -2.8466502 -0.96820962
|
|
5900 6.0799875e-05 -2.8964164 0 -2.8963557 -1.0105937
|
|
5950 1.2140387e-12 -2.8964171 0 -2.8964171 -1.0106479
|
|
6000 0.030381963 -2.8964194 0 -2.8660754 -0.98517311
|
|
6050 0.00089599596 -2.8964366 0 -2.8955417 -1.0109099
|
|
6100 1.4545282e-10 -2.8964452 0 -2.8964452 -1.0120983
|
|
6150 1.5873458e-05 -2.8964456 0 -2.8964298 -1.0121108
|
|
6200 0.0001664914 -2.8964461 0 -2.8962798 -1.0120177
|
|
6250 0.015608492 -2.896448 0 -2.880859 -0.99942562
|
|
6300 0.00017197467 -2.8972873 0 -2.8971155 -1.0083151
|
|
6350 2.9274254 -2.8974833 0 0.026282788 1.4593992
|
|
6400 0.33586366 -2.8975664 0 -2.5621225 -0.72600175
|
|
6450 0.44358679 -2.8976299 0 -2.4545976 -0.63518332
|
|
6500 0.016153424 -2.8976471 0 -2.8815139 -0.99571821
|
|
6550 0.054114542 -2.8976818 0 -2.8436349 -0.96172687
|
|
6600 0.0048278342 -2.8977072 0 -2.8928854 -1.0025389
|
|
6650 2.6243883e-06 -2.8977138 0 -2.8977111 -1.0075348
|
|
6700 0.026579851 -2.897725 0 -2.8711784 -0.98605839
|
|
6750 8.3645782e-05 -2.8981708 0 -2.8980872 -1.0085988
|
|
6800 0.058885816 -2.8982869 0 -2.8394746 -0.95390174
|
|
6850 1.846564e-11 -2.8983125 0 -2.8983125 -1.0035881
|
|
6900 1.0494617e-11 -2.8983179 0 -2.8983179 -1.0034581
|
|
6950 0.31146935 -2.8983966 0 -2.5873166 -0.73653512
|
|
7000 0.068799268 -2.8984224 0 -2.8297091 -0.93991393
|
|
7050 0.00051133651 -2.8985961 0 -2.8980854 -0.99675544
|
|
7100 0.91805088 -2.8986476 0 -1.9817443 -0.21785967
|
|
7150 0.02530032 -2.8993069 0 -2.8740382 -0.96072092
|
|
7200 0.87455846 -2.8995879 0 -2.0261227 -0.24363091
|
|
7250 0.10446125 -2.8997565 0 -2.7954258 -0.88791763
|
|
7300 0.0048514462 -2.8997861 0 -2.8949407 -0.97147045
|
|
7350 7.3846513e-12 -2.8997888 0 -2.8997888 -0.97528813
|
|
7400 5.1361611e-06 -2.8997905 0 -2.8997853 -0.97509003
|
|
7450 0.0022429642 -2.8997922 0 -2.897552 -0.97301257
|
|
7500 2.5441348e-08 -2.8997937 0 -2.8997936 -0.97470649
|
|
7550 0.00012873549 -2.8997951 0 -2.8996665 -0.97440978
|
|
7600 3.4154326e-12 -2.8997965 0 -2.8997965 -0.97432238
|
|
7650 0.041852756 -2.899799 0 -2.8579986 -0.93845423
|
|
7700 1.2249613e-06 -2.8998695 0 -2.8998682 -0.95251503
|
|
7750 0.068353436 -2.8998732 0 -2.8316052 -0.89520461
|
|
7800 0.04255128 -2.8998867 0 -2.8573886 -0.91861547
|
|
7850 0.00098740008 -2.8998987 0 -2.8989125 -0.94987971
|
|
7900 0.010662798 -2.8999002 0 -2.8892508 -0.94125062
|
|
7950 0.0074090712 -2.8999018 0 -2.892502 -0.9433251
|
|
8000 1.845399e-06 -2.8999329 0 -2.899931 -0.94607729
|
|
8050 0.043700378 -2.900014 0 -2.8563683 -0.90973684
|
|
8100 0.0015839028 -2.9000318 0 -2.8984499 -0.94471418
|
|
8150 0.061500028 -2.9000346 0 -2.8386114 -0.89430112
|
|
8200 0.30919918 -2.9001284 0 -2.5913158 -0.68831264
|
|
8250 0.0018368098 -2.9011701 0 -2.8993356 -0.9571315
|
|
8300 0.25296468 -2.9013025 0 -2.648654 -0.7476476
|
|
8350 0.82343119 -2.9017273 0 -2.0793254 -0.27178813
|
|
8400 2.9724925e-05 -2.9031385 0 -2.9031088 -0.96799905
|
|
8450 0.0016154932 -2.9032201 0 -2.9016066 -0.96652989
|
|
8500 1.1412649 -2.9035147 0 -1.7636764 -0.0030314589
|
|
8550 3.6139344e-06 -2.9035255 0 -2.9035219 -0.96536533
|
|
8600 0.09292051 -2.903559 0 -2.8107546 -0.88575848
|
|
8650 0.096570198 -2.9035807 0 -2.8071313 -0.88133137
|
|
8700 2.1416405e-07 -2.9036567 0 -2.9036564 -0.96370556
|
|
8750 7.5361688e-06 -2.9036586 0 -2.9036511 -0.96358791
|
|
8800 0.0098137127 -2.9036599 0 -2.8938584 -0.95521573
|
|
8850 0.04473507 -2.9036619 0 -2.8589828 -0.92555349
|
|
8900 0.029372466 -2.9036668 0 -2.8743311 -0.93783184
|
|
8950 2.548744e-12 -2.9036802 0 -2.9036802 -0.96226546
|
|
9000 0.042338758 -2.9036819 0 -2.8613961 -0.92656313
|
|
9050 0.004142723 -2.9038565 0 -2.899719 -0.97412348
|
|
9100 0.024168998 -2.9039239 0 -2.8797851 -0.96132883
|
|
9150 6.6746925e-10 -2.903927 0 -2.903927 -0.98185118
|
|
9200 6.7263309e-09 -2.9039831 0 -2.9039831 -0.99079866
|
|
9250 0.037788719 -2.9039856 0 -2.8662441 -0.95893344
|
|
9300 0.24559355 -2.9039986 0 -2.658712 -0.78392503
|
|
9350 0.042109092 -2.9040052 0 -2.8619487 -0.95710487
|
|
9400 5.0053658e-06 -2.9040066 0 -2.9040016 -0.99293138
|
|
9450 0.00069673093 -2.9040071 0 -2.9033112 -0.99242426
|
|
9500 3.3471536e-05 -2.9040074 0 -2.9039739 -0.99324713
|
|
9550 0.00218193 -2.9040076 0 -2.9018284 -0.99153227
|
|
9600 2.0546706e-05 -2.9040079 0 -2.9039873 -0.99366132
|
|
9650 3.2241744e-11 -2.9040082 0 -2.9040082 -0.99411209
|
|
9700 3.8430053e-05 -2.9040082 0 -2.9039698 -0.99408132
|
|
9750 5.1832667e-07 -2.9040082 0 -2.9040077 -0.99415763
|
|
9800 4.0902156e-09 -2.9040082 0 -2.9040082 -0.9941595
|
|
9850 2.9595816e-10 -2.9040082 0 -2.9040082 -0.99418705
|
|
9900 4.180492e-08 -2.9040082 0 -2.9040082 -0.99419928
|
|
9950 1.1820892e-07 -2.9040082 0 -2.9040081 -0.99419982
|
|
10000 2.8941025e-15 -2.9040082 0 -2.9040082 -0.99421776
|
|
10050 4.4610953e-07 -2.9040082 0 -2.9040078 -0.99421637
|
|
10100 1.1765034e-07 -2.9040082 0 -2.9040081 -0.99421483
|
|
10150 7.0142448e-15 -2.9040082 0 -2.9040082 -0.99421602
|
|
10200 1.1494282e-09 -2.9040082 0 -2.9040082 -0.99421602
|
|
10250 4.4409008e-13 -2.9040082 0 -2.9040082 -0.99421603
|
|
10300 2.496117e-09 -2.9040082 0 -2.9040082 -0.99421605
|
|
10350 4.6676633e-08 -2.9040082 0 -2.9040082 -0.9942163
|
|
10400 3.412796e-08 -2.9040082 0 -2.9040082 -0.99421761
|
|
10450 1.1962219e-08 -2.9040082 0 -2.9040082 -0.99421808
|
|
10500 2.1462795e-11 -2.9040082 0 -2.9040082 -0.9942181
|
|
10550 1.1514533e-08 -2.9040082 0 -2.9040082 -0.99421822
|
|
10600 1.2156455e-10 -2.9040082 0 -2.9040082 -0.9942198
|
|
10650 8.8615861e-20 -2.9040082 0 -2.9040082 -0.99421982
|
|
10700 2.0720635e-21 -2.9040082 0 -2.9040082 -0.99422002
|
|
10750 2.911191e-10 -2.9040082 0 -2.9040082 -0.99422034
|
|
10800 4.1453096e-12 -2.9040082 0 -2.9040082 -0.99422033
|
|
10827 6.7154111e-13 -2.9040082 0 -2.9040082 -0.99422033
|
|
Loop time of 0.530343 on 4 procs for 9827 steps with 800 atoms
|
|
|
|
99.0% CPU use with 4 MPI tasks x 1 OpenMP threads
|
|
|
|
Minimization stats:
|
|
Stopping criterion = force tolerance
|
|
Energy initial, next-to-last, final =
|
|
-0.770768629298115 -2.90400824931326 -2.90400824931326
|
|
Force two-norm initial, final = 1950.9513 9.8324014e-07
|
|
Force max component initial, final = 374.09844 1.5589558e-07
|
|
Final line search alpha, max atom move = 0 0
|
|
Iterations, force evaluations = 9827 9827
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 0.3034 | 0.32342 | 0.3327 | 2.1 | 60.98
|
|
Neigh | 0.0046539 | 0.0049879 | 0.0051906 | 0.3 | 0.94
|
|
Comm | 0.066037 | 0.075342 | 0.09571 | 4.3 | 14.21
|
|
Output | 0.0021513 | 0.0023307 | 0.0028449 | 0.6 | 0.44
|
|
Modify | 0.004196 | 0.0042194 | 0.0042552 | 0.0 | 0.80
|
|
Other | | 0.12 | | | 22.64
|
|
|
|
Nlocal: 200 ave 205 max 192 min
|
|
Histogram: 1 0 0 0 0 0 1 1 0 1
|
|
Nghost: 170.75 ave 175 max 166 min
|
|
Histogram: 1 0 0 1 0 0 0 1 0 1
|
|
Neighs: 1744 ave 1808 max 1644 min
|
|
Histogram: 1 0 0 0 0 1 0 0 0 2
|
|
|
|
Total # of neighbors = 6976
|
|
Ave neighs/atom = 8.72
|
|
Neighbor list builds = 101
|
|
Dangerous builds = 0
|
|
Total wall time: 0:00:00
|