update log files for USER-UEF (998a5121) · Commits · 郑智淋 / lammps

examples/USER/uef/npt_biaxial/log.22Sep17.npt_biaxial.g++.1

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Original line number	Diff line number	Diff line
		LAMMPS (22 Sep 2017)
		# biaxial NPT deformation of WCA fluid

		units lj
		atom_style atomic


		pair_style lj/cut 1.122562
		read_data data.wca
		orthogonal box = (0 0 0) to (8.39798 8.39798 8.39798)
		1 by 1 by 1 MPI processor grid
		reading atoms ...
		500 atoms
		reading velocities ...
		500 velocities
		pair_coeff 1 1 1.0 1.0
		pair_modify shift yes

		neighbor 0.5 bin
		neigh_modify delay 0

		change_box all triclinic
		triclinic box = (0 0 0) to (8.39798 8.39798 8.39798) with tilt (0 0 0)

		# these commads show the different methods that may be used to impose
		# a constant stress through isotropic or anisotropic coupling
		fix 1 all npt/uef temp 0.722 0.722 0.5 iso 10 10 5 erate 0.5 0.5 ext z
		#fix 1 all npt/uef temp 0.722 0.722 0.5 z 10 10 5 erate 0.5 0.5 ext xyz

		fix 2 all momentum 100 linear 1 1 1

		#dump 1 all atom 25 dump.lammpstrj

		#dump 2 all cfg/uef 25 dump.*.cfg mass type xs ys zs

		thermo_style custom step c_1_press[1] c_1_press[2] c_1_press[3]

		thermo 50
		run 10000
		Neighbor list info ...
		update every 1 steps, delay 0 steps, check yes
		max neighbors/atom: 2000, page size: 100000
		master list distance cutoff = 1.62256
		ghost atom cutoff = 1.62256
		binsize = 0.811281, bins = 11 11 11
		1 neighbor lists, perpetual/occasional/extra = 1 0 0
		(1) pair lj/cut, perpetual
		attributes: half, newton on
		pair build: half/bin/newton/tri
		stencil: half/bin/3d/newton/tri
		bin: standard
		Per MPI rank memory allocation (min/avg/max) = 2.742 \| 2.742 \| 2.742 Mbytes
		Step c_1_press[1] c_1_press[2] c_1_press[3]
		0 6.3937851 7.0436438 6.4461087
		50 7.9020345 7.303289 14.733929
		100 8.3214325 8.385843 13.166247
		150 5.7168419 5.6083988 9.7224198
		200 3.8875348 4.0840705 7.9912973
		250 4.2933724 4.2410519 7.7200953
		300 4.5452314 4.2434949 8.6709832
		350 5.446489 5.6166962 11.300536
		400 6.0682558 5.7787878 12.106852
		450 5.3884296 5.5066688 9.9100012
		500 4.8046418 4.7115986 9.9769201
		550 4.9043933 4.6240966 9.319336
		600 4.6843238 4.9571246 9.5325487
		650 5.1952989 5.195648 9.6187047
		700 5.4163364 5.2938289 10.136655
		750 5.6723178 5.0670261 11.415221
		800 5.9379901 5.6402916 10.815209
		850 5.0695389 5.3021432 10.742859
		900 4.6498962 4.7111912 9.8453523
		950 4.4811641 5.170132 9.421765
		1000 4.7501483 4.2420772 9.3510803
		1050 4.5973379 5.2046799 9.8632975
		1100 4.7879562 4.9051316 9.8658626
		1150 5.0528771 5.5048545 10.110913
		1200 4.9926563 5.2482081 9.9610863
		1250 4.8476232 4.8498859 9.5752989
		1300 5.2932038 5.0594534 10.869545
		1350 5.4720421 5.0830442 10.69386
		1400 4.8175566 4.9863651 10.041898
		1450 4.6307145 4.5615459 9.231299
		1500 5.0296259 4.5433558 8.7180513
		1550 4.8708444 5.1601014 10.256791
		1600 5.5098593 5.316773 10.224386
		1650 5.5055907 5.0516814 10.272037
		1700 4.6965552 5.2436628 9.8272905
		1750 5.0212307 4.740601 8.9738802
		1800 4.7756351 5.199734 9.9929449
		1850 4.7107092 5.177203 10.580427
		1900 5.0935608 4.5286844 9.3036832
		1950 4.8035855 4.894359 9.4423987
		2000 4.5643937 4.7480477 9.4384251
		2050 4.9314701 4.990414 10.151815
		2100 5.9828824 5.8188026 12.262691
		2150 5.5337303 5.4598468 10.136112
		2200 4.892172 4.8699674 9.1629905
		2250 4.5680591 4.5740533 9.5633545
		2300 5.0023535 4.3948659 8.9645774
		2350 5.2533056 4.9803884 10.255653
		2400 5.3330196 5.3888322 10.021617
		2450 5.2095527 4.8765336 10.135381
		2500 5.221153 5.2974568 10.2493
		2550 5.385331 5.0801192 10.490479
		2600 5.3274988 5.0253548 10.147587
		2650 4.718677 5.2710337 9.7549521
		2700 4.5811521 4.6083971 8.1923164
		2750 4.4743752 4.3319737 8.8690805
		2800 5.0215013 5.2262961 9.8627954
		2850 6.1005107 5.5994942 11.170661
		2900 5.9673524 5.362124 10.401699
		2950 5.5400849 5.7523993 10.292536
		3000 4.9202636 5.1210431 10.125839
		3050 4.5286487 5.3586164 9.8634322
		3100 4.5719961 5.1615414 9.8027972
		3150 5.4091919 4.8581943 9.96938
		3200 5.522125 5.3564838 9.7638407
		3250 4.9019062 5.2514758 9.2993079
		3300 5.2375918 5.1439012 9.4313575
		3350 4.750235 4.8692016 10.54193
		3400 5.5793211 5.4184157 11.021389
		3450 4.9022614 5.3166498 9.4629659
		3500 4.6348617 4.4650979 9.0665548
		3550 4.7922405 4.8961269 10.255446
		3600 4.8914457 5.1158894 9.4736084
		3650 5.062771 4.6725475 10.263484
		3700 5.4842823 5.7793971 10.342915
		3750 5.3136012 5.063065 10.398307
		3800 4.9372149 4.9270414 9.5304748
		3850 5.2144752 5.1716455 9.7575725
		3900 5.0892665 5.1697057 9.918052
		3950 5.1124507 5.354702 9.791366
		4000 5.1255084 5.1143653 10.913101
		4050 5.1891698 4.9913681 9.6871728
		4100 4.7663368 4.2435014 8.3815668
		4150 4.8060033 4.3415868 9.6553386
		4200 4.8548303 4.8006768 9.5995801
		4250 5.0976366 5.2683175 10.386444
		4300 5.8921937 5.5134696 10.788143
		4350 5.8323871 5.5255869 11.199128
		4400 5.2464655 5.0005905 10.311055
		4450 4.9264849 5.2499854 10.26702
		4500 4.4431895 4.536981 8.7489096
		4550 4.5180914 4.2080277 8.6525529
		4600 5.1782188 5.1224059 10.683341
		4650 5.4156233 4.8714464 10.473939
		4700 5.3107669 5.224614 10.569391
		4750 4.9538022 5.2509475 10.288918
		4800 4.6976945 4.8107142 9.8299772
		4850 5.1227936 5.0737571 10.440452
		4900 4.7580514 4.6375995 9.1971008
		4950 5.0647601 4.6470735 9.583131
		5000 5.196231 5.7531491 10.409807
		5050 5.6691323 5.7163652 12.335701
		5100 5.3603738 5.4887106 10.961712
		5150 4.455028 4.6494465 9.8096968
		5200 4.7596912 4.4804896 9.3762885
		5250 5.3144927 5.0113772 9.553101
		5300 5.3445266 4.8262035 9.1220802
		5350 5.1540657 5.5982676 10.765178
		5400 5.1773418 5.2684381 10.452351
		5450 4.8946859 5.3283747 9.8015564
		5500 5.2009608 4.7183522 9.4558009
		5550 5.4158589 5.5005458 10.539505
		5600 4.7196831 5.4181991 9.6439249
		5650 4.8333571 4.8601728 8.9350189
		5700 5.4395698 4.9730096 10.669681
		5750 5.2947443 5.6973259 10.020539
		5800 5.4391993 5.5255143 10.264969
		5850 4.9921388 5.2643827 10.217028
		5900 5.0048643 4.7952641 8.9718929
		5950 5.1843818 4.5987295 9.6858944
		6000 5.0343993 4.946933 9.7436708
		6050 4.6202714 5.3502658 10.752915
		6100 5.6914422 5.3621964 10.281827
		6150 5.1928763 5.9652686 10.923881
		6200 5.0030409 5.2013891 10.056308
		6250 4.9699876 5.2363753 9.9964211
		6300 4.9129606 4.4558458 9.0419952
		6350 4.6623958 4.4078264 8.528649
		6400 4.9811441 5.1183207 10.261751
		6450 5.3644017 5.5153937 10.401295
		6500 5.6674981 5.7427566 11.928777
		6550 5.1622364 5.3212928 10.067198
		6600 4.5954278 5.1645397 10.16724
		6650 4.9192712 5.0413326 9.95656
		6700 4.6179845 4.5656214 9.3798952
		6750 4.7287495 4.5071148 8.7890116
		6800 4.8600442 4.8083512 10.245595
		6850 5.0515531 5.1609272 10.553855
		6900 5.1159742 5.1359869 10.594699
		6950 4.8908884 5.0592418 9.5698704
		7000 4.7654136 4.7530776 8.9439321
		7050 4.779293 4.7534957 9.7244349
		7100 5.2265831 5.6869073 10.32717
		7150 5.4019177 5.15174 10.457567
		7200 4.9817102 5.0596098 10.337574
		7250 5.1836654 5.6065238 10.723108
		7300 4.2916569 4.457143 8.5419099
		7350 4.3906104 4.5439294 9.0805415
		7400 4.998572 5.3386063 10.491418
		7450 5.1109022 5.0506801 10.636116
		7500 5.0248381 5.019932 10.217023
		7550 5.0109265 5.1438717 9.9032426
		7600 4.6628614 4.6204146 8.9459669
		7650 4.8930717 5.0650009 10.049331
		7700 4.9373454 5.6265835 10.210644
		7750 5.5001067 5.3133253 10.667995
		7800 5.0816102 5.0125753 10.591986
		7850 4.9638046 5.1969015 9.9728333
		7900 4.8438207 4.9217213 8.9978809
		7950 4.7318805 4.6248537 8.6806596
		8000 5.2808543 5.2892613 10.932535
		8050 5.9609722 5.87087 10.47602
		8100 5.2190231 5.6693244 11.244536
		8150 5.3481127 5.2849903 10.222845
		8200 4.7833053 4.7404657 9.2034474
		8250 4.5461994 4.510467 10.294452
		8300 4.6025175 4.8332817 8.7967546
		8350 5.0389897 5.6642908 10.243402
		8400 4.8414338 4.8925143 9.3653631
		8450 5.5087429 4.7830361 10.831666
		8500 5.2678146 5.1697789 9.9105782
		8550 5.1211843 4.9097801 9.4165956
		8600 5.8239149 5.0821022 10.803261
		8650 5.3620154 5.5831747 11.16202
		8700 5.1625813 4.8791404 10.537681
		8750 4.5622461 5.0157549 10.013227
		8800 4.4051517 5.0224553 9.6364273
		8850 4.1711629 4.635617 8.5470244
		8900 4.7049907 5.2458435 10.100728
		8950 4.8568883 5.2360772 9.2306469
		9000 5.0091899 5.2203574 10.718541
		9050 5.1037824 4.9022451 10.24271
		9100 5.0789015 4.9331454 9.173614
		9150 5.3865455 5.3427553 11.40199
		9200 5.5089482 5.9423232 10.976063
		9250 5.1353552 5.0650262 10.040607
		9300 4.6761948 4.9155175 9.6413722
		9350 4.4780834 4.3934708 8.7049819
		9400 4.2561799 4.7906324 9.046134
		9450 5.6162819 5.2881846 9.9040868
		9500 5.7554547 5.6111262 10.23849
		9550 5.4230462 5.5656045 10.908006
		9600 5.5045685 4.9818892 9.8929535
		9650 5.0541481 5.0183351 9.5226021
		9700 4.9712829 5.2395398 9.9996693
		9750 5.0960017 5.4419775 10.914719
		9800 5.0790688 5.6378474 10.00789
		9850 4.9661747 5.114502 9.4585052
		9900 5.0133498 4.7456254 9.4572653
		9950 5.3318846 4.6643122 10.096292
		10000 5.2227687 4.8924305 9.5894615
		Loop time of 4.78247 on 1 procs for 10000 steps with 500 atoms

		Performance: 903298.340 tau/day, 2090.968 timesteps/s
		99.2% CPU use with 1 MPI tasks x no OpenMP threads

		MPI task timing breakdown:
		Section \| min time \| avg time \| max time \|%varavg\| %total
		---------------------------------------------------------------
		Pair \| 0.73894 \| 0.73894 \| 0.73894 \| 0.0 \| 15.45
		Neigh \| 2.9092 \| 2.9092 \| 2.9092 \| 0.0 \| 60.83
		Comm \| 0.32306 \| 0.32306 \| 0.32306 \| 0.0 \| 6.76
		Output \| 0.003392 \| 0.003392 \| 0.003392 \| 0.0 \| 0.07
		Modify \| 0.6959 \| 0.6959 \| 0.6959 \| 0.0 \| 14.55
		Other \| \| 0.112 \| \| \| 2.34

		Nlocal: 500 ave 500 max 500 min
		Histogram: 1 0 0 0 0 0 0 0 0 0
		Nghost: 905 ave 905 max 905 min
		Histogram: 1 0 0 0 0 0 0 0 0 0
		Neighs: 3340 ave 3340 max 3340 min
		Histogram: 1 0 0 0 0 0 0 0 0 0

		Total # of neighbors = 3340
		Ave neighs/atom = 6.68
		Neighbor list builds = 4580
		Dangerous builds = 0

		Please see the log.cite file for references relevant to this simulation

		Total wall time: 0:00:04

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examples/USER/uef/nvt_uniaxial/log.22Sep17.npt_uniaxial.g++.1

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Original line number	Diff line number	Diff line
		LAMMPS (22 Sep 2017)
		# uniaxial NVT deformation of WCA fluid

		units lj
		atom_style atomic


		pair_style lj/cut 1.122562
		read_data data.wca
		orthogonal box = (0 0 0) to (8.39798 8.39798 8.39798)
		1 by 1 by 1 MPI processor grid
		reading atoms ...
		500 atoms
		reading velocities ...
		500 velocities
		pair_coeff 1 1 1.0 1.0
		pair_modify shift yes

		neighbor 0.5 bin
		neigh_modify delay 0

		change_box all triclinic
		triclinic box = (0 0 0) to (8.39798 8.39798 8.39798) with tilt (0 0 0)

		fix 1 all nvt/uef temp 0.722 0.722 0.5 erate -0.5 -0.5

		fix 2 all momentum 100 linear 1 1 1

		#dump 1 all atom 25 dump.lammpstrj

		#dump 2 all cfg/uef 25 dump.*.cfg mass type xs ys zs

		thermo_style custom step c_1_press[1] c_1_press[2] c_1_press[3]

		thermo 50
		run 10000
		Neighbor list info ...
		update every 1 steps, delay 0 steps, check yes
		max neighbors/atom: 2000, page size: 100000
		master list distance cutoff = 1.62256
		ghost atom cutoff = 1.62256
		binsize = 0.811281, bins = 11 11 11
		1 neighbor lists, perpetual/occasional/extra = 1 0 0
		(1) pair lj/cut, perpetual
		attributes: half, newton on
		pair build: half/bin/newton/tri
		stencil: half/bin/3d/newton/tri
		bin: standard
		Per MPI rank memory allocation (min/avg/max) = 2.742 \| 2.742 \| 2.742 Mbytes
		Step c_1_press[1] c_1_press[2] c_1_press[3]
		0 6.3937851 7.0436438 6.4461087
		50 10.369902 10.999889 6.5437384
		100 12.411384 13.145871 7.8892802
		150 12.88182 12.114068 7.5155182
		200 10.375571 10.979773 6.5624056
		250 10.158901 10.251273 5.4525068
		300 10.011314 9.8371382 5.4031393
		350 9.4890008 9.7992108 5.054963
		400 9.1715116 9.2647886 4.9600208
		450 9.8495961 9.3353483 4.986786
		500 9.5903809 8.576173 4.8252116
		550 8.8057509 9.7152078 4.9089022
		600 8.9743682 10.031277 4.8924072
		650 10.233852 9.3059527 5.1977058
		700 9.2361906 9.6439971 5.0923763
		750 10.449751 9.5911465 5.2548714
		800 9.8366857 9.9873885 4.9456956
		850 10.266351 9.9620134 5.0602713
		900 9.6325813 9.3910946 5.1466624
		950 9.1911919 9.1519006 4.8275345
		1000 9.2871712 9.8508501 5.2674099
		1050 9.7052035 10.291793 5.160359
		1100 9.9425552 10.361827 5.5520484
		1150 10.377563 10.26588 5.5997436
		1200 9.6368269 10.354413 5.4137873
		1250 9.2071055 9.1706334 4.9800411
		1300 9.7140516 8.7257777 4.8536943
		1350 10.145983 9.8247797 4.8921813
		1400 9.1998975 9.6935675 5.2269871
		1450 9.4838136 8.9035726 4.6867121
		1500 9.066389 9.811658 4.8875316
		1550 10.007083 9.8946118 5.204609
		1600 9.722137 9.9291588 5.326712
		1650 9.7424614 9.6995966 5.3577819
		1700 9.7185135 9.5922931 5.385856
		1750 9.6368481 8.1414594 5.0046079
		1800 9.8065782 9.6798036 4.92473
		1850 9.0463737 10.024205 5.6495695
		1900 9.0774484 10.527582 5.0363426
		1950 9.1691461 10.049703 4.8517514
		2000 9.7619602 10.049532 5.2088038
		2050 9.9203348 9.8056395 5.7699852
		2100 9.1455665 9.5864018 5.1410542
		2150 8.8501135 9.7917307 5.141824
		2200 9.1433685 9.8168548 5.1742441
		2250 9.3248968 10.454532 5.5456356
		2300 10.210505 9.361499 5.0935226
		2350 9.5041186 9.598986 5.2451005
		2400 8.968896 9.2811921 4.7799868
		2450 9.8201159 10.133892 4.9981817
		2500 9.4421084 9.7875766 5.4124809
		2550 9.6410643 9.9148309 5.0603288
		2600 9.3810676 9.5346849 5.3233836
		2650 9.2340337 8.7233538 5.0361302
		2700 9.405597 9.7848488 4.7537042
		2750 9.9447412 9.2366502 4.9736459
		2800 10.189443 9.452684 5.624362
		2850 9.6680124 9.0941543 5.0101469
		2900 8.4350889 9.1595018 4.7706866
		2950 9.0056117 9.3498593 4.7655963
		3000 9.4795416 9.7400747 5.4705868
		3050 9.6605264 9.4558374 5.1240166
		3100 9.681451 9.7966554 5.3174458
		3150 9.7887528 9.7371194 4.9349103
		3200 9.9720054 9.5592538 5.2306417
		3250 10.185023 9.9436037 5.4127312
		3300 9.9670676 9.6069307 5.026261
		3350 9.0090411 9.5975249 4.8881019
		3400 9.6535707 9.748683 4.9933873
		3450 9.7774977 9.7570511 4.8512619
		3500 9.7250053 10.36386 5.4057249
		3550 9.567788 9.773413 5.3936671
		3600 9.2094148 9.0211247 5.2328675
		3650 9.3512098 9.73407 4.576624
		3700 9.159074 9.2611591 5.2996448
		3750 9.4772798 8.9792211 5.1007079
		3800 9.3898357 9.1150609 5.2126508
		3850 9.2466312 9.1460651 4.867472
		3900 9.9316993 9.3061137 5.1219265
		3950 9.2550913 9.780254 5.371885
		4000 10.005356 9.7328972 5.2535791
		4050 9.5228242 9.5134113 5.4181393
		4100 9.576808 10.082425 5.1272491
		4150 10.20265 9.6667058 5.529118
		4200 9.9443671 10.09427 5.6163734
		4250 9.4956875 9.9462818 5.0820085
		4300 10.350144 10.003702 5.1621505
		4350 10.119486 9.8691507 5.4913457
		4400 9.4991604 10.516185 5.2512264
		4450 9.0812854 9.2835603 5.1695714
		4500 9.7538478 8.5298834 4.5954607
		4550 9.8920394 9.3581299 5.202587
		4600 9.2694921 9.3338291 5.201958
		4650 10.925818 9.5062049 4.8694531
		4700 11.020014 10.130224 5.582409
		4750 9.5005142 9.3571561 5.456739
		4800 9.6670147 9.6628702 5.0451252
		4850 9.134147 9.1308788 4.7950594
		4900 9.7466206 8.6171443 4.8716275
		4950 9.0397505 9.1996036 5.2010502
		5000 9.6898652 9.8914655 5.3959279
		5050 10.06771 9.7523891 5.3690408
		5100 10.000963 9.6279379 5.4077384
		5150 9.8686159 10.179702 5.0686824
		5200 9.8866247 9.725152 5.4350049
		5250 9.2068346 10.214424 5.3187713
		5300 9.713992 9.8069045 5.496359
		5350 9.423852 9.364085 5.2144606
		5400 9.4350241 9.5584633 5.0339001
		5450 10.555124 10.784922 5.1938072
		5500 9.4147344 10.33187 5.4360602
		5550 9.8514653 9.6575827 5.4959779
		5600 9.3138107 9.6592624 4.941387
		5650 9.1224809 8.7112257 5.0435936
		5700 8.8289158 10.749686 4.8916132
		5750 9.7200279 10.030606 5.2033161
		5800 9.8439873 9.6289015 5.5131934
		5850 9.6257294 9.4128988 4.9196038
		5900 9.7490214 9.5776313 5.0301815
		5950 9.1430855 10.108944 5.1406243
		6000 9.3358644 9.5633737 4.9787073
		6050 9.4432774 8.9464304 5.1466052
		6100 8.8878373 9.5048946 4.9190238
		6150 9.6451898 9.2419823 5.0159841
		6200 9.5042173 8.9414307 5.2634247
		6250 9.0896505 9.7230651 5.3340322
		6300 8.8100599 8.8781352 5.4117914
		6350 9.3104601 9.0233294 5.3136432
		6400 9.368101 9.6387362 4.7833216
		6450 10.334343 9.8384149 5.3606204
		6500 9.8824036 10.022627 6.0857086
		6550 9.7034443 10.026765 5.17604
		6600 9.3757845 9.899268 5.2301359
		6650 10.540821 10.4343 5.5287065
		6700 9.6317649 9.8923579 5.6045768
		6750 9.5982772 10.07897 5.1221451
		6800 10.239883 10.189967 5.3167447
		6850 10.017271 9.7680902 5.229621
		6900 9.6200416 10.129301 5.1998759
		6950 9.0361417 8.923798 5.1652612
		7000 9.3153521 9.063054 4.6860773
		7050 8.6434091 9.0363436 4.7811975
		7100 9.4955395 9.3830541 5.022538
		7150 9.3392402 9.1847119 5.1544622
		7200 9.4676321 9.8370036 4.8854442
		7250 9.5115882 10.350324 4.9780525
		7300 9.6025583 9.6247917 5.473794
		7350 9.8919524 10.049446 4.9816931
		7400 9.6814319 9.9410894 5.265078
		7450 9.4130955 10.191436 5.2531256
		7500 9.8114668 8.8461635 5.0562894
		7550 10.321567 9.4730124 5.2043655
		7600 9.5059024 9.8330367 5.0749721
		7650 10.067084 10.606423 5.5598818
		7700 10.896159 10.084281 5.5159718
		7750 9.754306 10.162301 5.2475876
		7800 9.7278145 9.801009 5.0685504
		7850 9.8639905 10.323104 5.2458864
		7900 9.7246799 9.1377357 5.1841319
		7950 10.381792 9.6977533 5.0977386
		8000 9.7265224 9.2999829 4.7925571
		8050 9.5203288 9.3144956 4.7539211
		8100 9.6900973 9.6614063 5.304712
		8150 9.713677 9.9154149 4.8178575
		8200 9.4733597 9.8948632 5.036112
		8250 9.7783036 9.9554334 5.3355682
		8300 9.4034783 9.9156801 5.5539279
		8350 9.2984025 9.2013949 5.0753991
		8400 9.9299078 9.6166801 5.115776
		8450 9.526737 9.3312125 4.7800587
		8500 9.581956 10.065906 4.9756092
		8550 9.2767953 9.326006 5.3024978
		8600 9.799968 8.4660845 5.0199109
		8650 9.8985354 10.127852 4.9098064
		8700 8.7952691 10.521133 5.6840528
		8750 9.8299997 9.5588553 5.3085734
		8800 9.0811776 9.5704532 5.1684993
		8850 9.8303571 9.7618932 5.1251259
		8900 9.9238794 9.9654863 5.2999683
		8950 10.851304 9.9682289 5.4133763
		9000 9.5523794 9.1890766 5.1469144
		9050 9.7461948 8.9611236 4.9490826
		9100 10.138917 9.6757567 5.0473544
		9150 9.4869835 9.4786575 5.0142464
		9200 10.263518 10.079135 5.1493398
		9250 9.8691684 9.0908275 5.3221203
		9300 9.8586707 9.4177643 5.1525265
		9350 9.3375816 9.9167208 5.4846207
		9400 9.5603903 9.4813199 4.6237495
		9450 10.30892 9.5217736 5.6163214
		9500 9.327949 9.9831649 4.8923915
		9550 9.8421656 9.3202702 5.3352046
		9600 8.8543704 9.4556702 4.6430041
		9650 10.103399 9.2161072 4.8658062
		9700 9.507811 9.9647378 5.227369
		9750 9.4988096 8.9942893 5.2491418
		9800 9.8007958 9.234452 5.1740203
		9850 9.6029685 10.076042 5.023107
		9900 9.4035691 10.13782 5.2775777
		9950 9.6517135 10.355994 5.3035779
		10000 9.9157616 9.7741952 5.5269431
		Loop time of 3.47119 on 1 procs for 10000 steps with 500 atoms

		Performance: 1244529.812 tau/day, 2880.856 timesteps/s
		99.5% CPU use with 1 MPI tasks x no OpenMP threads

		MPI task timing breakdown:
		Section \| min time \| avg time \| max time \|%varavg\| %total
		---------------------------------------------------------------
		Pair \| 0.53077 \| 0.53077 \| 0.53077 \| 0.0 \| 15.29
		Neigh \| 2.219 \| 2.219 \| 2.219 \| 0.0 \| 63.93
		Comm \| 0.21866 \| 0.21866 \| 0.21866 \| 0.0 \| 6.30
		Output \| 0.0027909 \| 0.0027909 \| 0.0027909 \| 0.0 \| 0.08
		Modify \| 0.41956 \| 0.41956 \| 0.41956 \| 0.0 \| 12.09
		Other \| \| 0.08042 \| \| \| 2.32

		Nlocal: 500 ave 500 max 500 min
		Histogram: 1 0 0 0 0 0 0 0 0 0
		Nghost: 908 ave 908 max 908 min
		Histogram: 1 0 0 0 0 0 0 0 0 0
		Neighs: 3489 ave 3489 max 3489 min
		Histogram: 1 0 0 0 0 0 0 0 0 0

		Total # of neighbors = 3489
		Ave neighs/atom = 6.978
		Neighbor list builds = 4567
		Dangerous builds = 0

		Please see the log.cite file for references relevant to this simulation

		Total wall time: 0:00:03

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