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LAMMPS (13 Oct 2016)
# sample LAMMPS input script for viscosity of 2d LJ liquid
# Green-Kubo method via fix ave/correlate
# settings
variable x equal 20
variable y equal 20
variable rho equal 0.6
variable t equal 1.0
variable rc equal 2.5
variable p equal 400 # correlation length
variable s equal 5 # sample interval
variable d equal $p*$s # dump interval
variable d equal 400*$s
variable d equal 400*5
# problem setup
units lj
dimension 2
atom_style atomic
neigh_modify delay 0 every 1
lattice sq2 ${rho}
lattice sq2 0.6
Lattice spacing in x,y,z = 1.82574 1.82574 1.82574
region simbox block 0 $x 0 $y -0.1 0.1
region simbox block 0 20 0 $y -0.1 0.1
region simbox block 0 20 0 20 -0.1 0.1
create_box 1 simbox
Created orthogonal box = (0 0 -0.182574) to (36.5148 36.5148 0.182574)
1 by 1 by 1 MPI processor grid
create_atoms 1 box
Created 800 atoms
pair_style lj/cut ${rc}
pair_style lj/cut 2.5
pair_coeff * * 1 1
mass * 1.0
velocity all create $t 97287
velocity all create 1 97287
# equilibration run
fix 1 all nve
fix 2 all langevin $t $t 0.1 498094
fix 2 all langevin 1 $t 0.1 498094
fix 2 all langevin 1 1 0.1 498094
fix 3 all enforce2d
thermo $d
thermo 2000
run 10000
Neighbor list info ...
1 neighbor list requests
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 = 27 27 1
Memory usage per processor = 2.47956 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1 -1.56492 0 -0.56617 -1.535262
2000 1.0164992 -1.6006146 0 -0.58538603 0.88642098
4000 1.0955206 -1.6156387 0 -0.52148756 0.94410568
6000 1.0384014 -1.6029223 0 -0.5658189 0.82862123
8000 1.0035814 -1.5749989 0 -0.57267191 1.1514978
10000 1.0149864 -1.5834783 0 -0.56976064 0.94535991
Loop time of 1.68923 on 1 procs for 10000 steps with 800 atoms
Performance: 2557381.154 tau/day, 5919.864 timesteps/s
99.9% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.93939 | 0.93939 | 0.93939 | 0.0 | 55.61
Neigh | 0.22535 | 0.22535 | 0.22535 | 0.0 | 13.34
Comm | 0.028255 | 0.028255 | 0.028255 | 0.0 | 1.67
Output | 4.6253e-05 | 4.6253e-05 | 4.6253e-05 | 0.0 | 0.00
Modify | 0.44989 | 0.44989 | 0.44989 | 0.0 | 26.63
Other | | 0.0463 | | | 2.74
Nlocal: 800 ave 800 max 800 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 262 ave 262 max 262 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 5587 ave 5587 max 5587 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 5587
Ave neighs/atom = 6.98375
Neighbor list builds = 1101
Dangerous builds = 0
velocity all scale $t
velocity all scale 1
unfix 2
# Green-Kubo viscosity calculation
reset_timestep 0
# Define distinct components of symmetric traceless stress tensor
variable pxy equal pxy
variable pxx equal pxx-press
fix SS all ave/correlate $s $p $d v_pxy v_pxx type auto file profile.gk.2d ave running
fix SS all ave/correlate 5 $p $d v_pxy v_pxx type auto file profile.gk.2d ave running
fix SS all ave/correlate 5 400 $d v_pxy v_pxx type auto file profile.gk.2d ave running
fix SS all ave/correlate 5 400 2000 v_pxy v_pxx type auto file profile.gk.2d ave running
# Diagonal components of SS are larger by factor 2-2/d,
# which is 4/3 for d=3, but 1 for d=2.
# See Daivis and Evans, J.Chem.Phys, 100, 541-547 (1994)
variable scale equal 1.0/$t*vol*$s*dt
variable scale equal 1.0/1*vol*$s*dt
variable scale equal 1.0/1*vol*5*dt
variable diagfac equal 2-2/2
variable vxy equal trap(f_SS[3])*${scale}
variable vxy equal trap(f_SS[3])*33.3333333333333
variable vxx equal trap(f_SS[4])*${scale}/${diagfac}
variable vxx equal trap(f_SS[4])*33.3333333333333/${diagfac}
variable vxx equal trap(f_SS[4])*33.3333333333333/1
thermo_style custom step temp press pxy v_vxy v_vxx
run 500000
Memory usage per processor = 2.47956 Mbytes
Step Temp Press Pxy v_vxy v_vxx
0 1 0.93637929 0.013123478 0.0028704278 3.6139711e-05
2000 0.99103273 0.96182762 0.032871709 1.0973353 1.7302859
4000 1.0416298 0.9238985 0.02532039 -0.51174928 1.3585307
6000 1.0033402 1.049074 0.056300627 -0.52973835 2.1985256
8000 1.0003681 1.1886635 0.019361031 -0.2525203 1.5354203
10000 1.0195921 0.9009639 -0.075997173 0.77178738 1.9426534
12000 1.0026283 0.90425907 -0.10655349 0.59485093 1.4709129
14000 1.0062891 1.120094 0.078261625 1.3430022 1.4154697
16000 0.97921785 1.056538 -0.27861922 1.1095264 1.2162698
18000 1.012419 1.0278053 0.022229371 1.7339307 1.1123441
20000 1.0117709 0.97722275 0.0075466982 1.7749122 1.0704588
22000 1.0008808 1.0572608 0.087832931 1.6516858 1.0614696
24000 1.0002975 1.0118667 -0.068081725 1.4708723 1.0635481
26000 0.98509665 1.1898824 0.21810836 1.5759129 1.101463
28000 0.9891689 1.1456688 0.12141752 1.7952721 1.1441876
30000 1.0071582 0.96554132 0.017641823 1.5696844 1.207463
32000 1.0076807 1.1047186 0.044265263 1.6946819 1.0605558
34000 0.95874174 1.362955 -0.14025695 1.7962468 1.0166685
36000 0.99528173 1.0970028 -0.016714523 1.6378502 1.0580616
38000 1.0124371 0.99493986 -0.041410673 1.5728087 1.0689583
40000 1.0141237 0.98549019 0.047454345 1.5733219 1.0153622
42000 1.0274867 0.93801507 0.089635945 1.5765417 0.99165386
44000 0.98700259 0.94306661 -0.045695708 1.7023399 0.99608779
46000 1.0080948 1.0304791 -0.0046135743 1.738355 0.87443113
48000 0.97227783 1.1829894 0.042219544 1.6953772 0.82755164
50000 0.99046716 1.0095618 0.018697031 1.6358006 0.79907178
52000 1.0129697 0.88794241 -0.045990748 1.6257284 0.8693729
54000 1.0013276 1.0246693 0.012464296 1.711089 0.85652021
56000 1.0385716 0.75426191 -0.04775685 1.6576515 0.80114077
58000 1.0107757 1.0239619 0.029529278 1.62731 1.01175
60000 1.0177033 0.94723439 -0.16871762 1.6492387 1.3267438
62000 1.0210737 1.0225179 0.079638703 1.5703895 1.3460163
64000 1.0106132 1.0188777 0.02699431 1.5335146 1.3032641
66000 0.98531307 1.1224354 -0.0069578014 1.6159073 1.2791611
68000 0.99450728 1.3016366 0.056607824 1.560555 1.2757996
70000 0.98874589 1.0724556 -0.022405835 1.5275425 1.2439185
72000 1.0108814 0.92375729 -0.12669224 1.5118684 1.2223259
74000 1.0098348 1.0635024 -0.12956833 1.4818607 1.2161456
76000 1.0089021 0.98626851 -0.20311631 1.4768989 1.2153601
78000 1.002405 1.008097 -0.089615503 1.4499417 1.1460696
80000 1.0266582 1.0493411 0.16631226 1.4254227 1.1765198
82000 1.01242 0.81710829 0.18713063 1.3872432 1.1213607
84000 1.0262474 1.1125949 -0.0012088503 1.464111 1.1215723
86000 0.99599827 1.0337621 -0.0056500173 1.4658272 1.1000357
88000 0.98713531 1.0665747 -0.10237303 1.5900602 1.0774497
90000 1.0156011 0.96906164 0.13894564 1.5880395 1.1005107
92000 1.0306883 0.78929887 0.0089544803 1.5445295 1.1172449
94000 0.98455669 1.1917323 0.025629181 1.4984833 1.1347838
96000 0.99528576 1.1055136 0.020277014 1.4904339 1.0982899
98000 1.0504589 0.99135546 -0.051989636 1.455444 1.0661495
100000 0.98210335 1.0867432 0.091525725 1.4218731 1.0813261
102000 1.0316494 1.1350259 0.072311903 1.3978862 1.0946066
104000 1.0292338 0.83829357 -0.04098328 1.3809297 1.1853511
106000 0.98153521 1.0653974 -4.3227008e-05 1.3544205 1.2098378
108000 1.0074159 1.0048635 0.1947269 1.3858614 1.2974418
110000 1.0007684 1.1603181 0.13820163 1.3549744 1.3665589
112000 0.98637814 1.0037644 0.049907343 1.3424521 1.3434275
114000 0.99310586 1.0896413 -0.079352378 1.3189065 1.3424599
116000 0.98829858 0.87861443 0.05118496 1.3323643 1.2973572
118000 1.01049 0.96002545 -0.12320659 1.3042553 1.3143529
120000 1.0218378 0.89637436 0.02750584 1.2880273 1.4129925
122000 1.0263547 0.95854694 0.0034110405 1.2998558 1.4125761
124000 0.9899202 1.0492908 -0.13855042 1.2885462 1.4024599
126000 0.98192121 1.1372352 0.16313842 1.2742073 1.3858109
128000 1.002862 0.97650147 0.048928455 1.3089319 1.4032307
130000 0.99785761 0.93146735 0.026478401 1.2798809 1.4133812
132000 0.98956541 0.96523389 -0.10052306 1.2753991 1.4194387
134000 1.0019397 1.0447894 0.13871691 1.2573725 1.4193379
136000 1.0321449 1.1072168 -0.15369414 1.2214357 1.4798406
138000 1.0239483 0.82920716 -0.011872404 1.1990447 1.4537855
140000 1.0082907 1.0012771 0.027192581 1.2017711 1.488733
142000 1.0007865 1.0399048 -0.096251148 1.2255281 1.4836706
144000 1.0001664 1.0071962 -0.083449668 1.188732 1.4747949
146000 1.0202238 1.0702284 -0.063595518 1.1747017 1.457276
148000 1.0248683 1.0227875 0.069198975 1.1641817 1.4482984
150000 1.0127614 0.80897516 0.0044443031 1.1486331 1.4389959
152000 1.0028044 1.0857002 -0.059930891 1.1448366 1.4107488
154000 1.0149836 0.82631625 0.085962962 1.1469054 1.3899228
156000 0.99818966 1.035248 -0.029178797 1.1381571 1.380388
158000 1.0023756 0.94465038 -0.056571392 1.1308549 1.3564606
160000 0.99847665 1.0656894 -0.022026678 1.1397154 1.4343558
162000 0.98084763 1.2446958 0.097934009 1.1180528 1.3973883
164000 0.98358665 1.1626742 -0.010830507 1.1042107 1.3740411
166000 1.0176133 0.91335665 0.054966014 1.1205556 1.3965323
168000 1.0252828 1.0562376 0.025372153 1.1392262 1.4162518
170000 1.0429701 0.78042973 -0.088860018 1.1624209 1.4180095
172000 1.0167826 0.93307169 -0.0028786839 1.1482597 1.4102599
174000 1.0067129 0.93660255 0.13405338 1.1765833 1.3906822
176000 1.0142368 1.1376546 -0.039887725 1.1490071 1.3803357
178000 1.0337679 0.88782002 -0.013087286 1.1537575 1.4217567
180000 0.96700375 1.2700192 -0.17359042 1.1782075 1.4515137
182000 1.0128669 1.0325786 -0.11340517 1.1601019 1.4525292
184000 1.0016786 1.2423822 -0.04019647 1.1535732 1.4506038
186000 1.0068219 0.91016442 0.12827957 1.140122 1.4814336
188000 1.0111052 0.84190116 0.11675343 1.1385292 1.4872393
190000 1.0428535 0.84579508 0.074521906 1.126706 1.5039655
192000 0.98196941 1.1089098 0.10878744 1.1159363 1.4826447
194000 1.0060461 1.0637631 0.0094883212 1.1126571 1.4825394
196000 1.009729 1.0375371 0.001016821 1.104084 1.4675566
198000 1.0130466 0.94423285 -0.065299989 1.0985735 1.4613693
200000 0.99556457 1.0479236 -0.078093695 1.087735 1.4629234
202000 1.0024053 1.0110919 -0.011771169 1.0789047 1.4423084
204000 1.0487373 0.96913936 0.092389554 1.0752111 1.4428081
206000 1.0040089 0.87055365 -0.0029267837 1.0892902 1.4295861
208000 0.98635833 1.1193994 0.043854107 1.0935635 1.4288422
210000 0.99172336 1.0945983 -0.047827928 1.0845738 1.4610522
212000 0.99572889 1.1375524 -0.19281467 1.0820934 1.4492165
214000 1.0146878 0.93324057 0.023347328 1.0666754 1.4359126
216000 0.99707471 0.96782693 0.083402848 1.0567355 1.4261272
218000 1.0072021 0.8155869 -0.094678429 1.0397772 1.4363021
220000 0.99829642 1.0862336 -0.057344135 1.0264114 1.4261186
222000 1.0214364 1.0020523 -0.081278441 1.0259496 1.4104525
224000 1.0007703 1.1398771 -0.014848249 1.0383859 1.4298639
226000 1.0160887 0.97725713 -0.061995296 1.0437407 1.4241759
228000 1.0094934 1.040651 0.0079530479 1.0393089 1.4155728
230000 0.98902579 1.050377 -0.02091325 1.0338013 1.4183238
232000 0.98365162 1.1795485 0.007265917 1.023983 1.42409
234000 0.98804235 0.99142023 -0.14096873 1.0094423 1.4122007
236000 1.0111715 1.0365441 0.03705863 0.9986353 1.3994269
238000 1.028486 0.77859138 0.03686834 0.99615802 1.4123065
240000 1.0048364 1.0507628 0.177815 0.98769158 1.4053338
242000 1.0612408 0.80528323 -0.065846556 0.96795821 1.3983254
244000 0.99451698 0.90507771 0.0090582429 0.95858362 1.3911554
246000 1.0215777 0.88605366 -0.033084099 0.94891089 1.3837671
248000 1.0346251 1.0266325 0.042180226 0.94589414 1.3805736
250000 0.97725995 0.99997539 0.046921107 0.9413025 1.4054541
252000 1.0045133 1.2089315 -0.20100537 0.93463731 1.3855538
254000 1.0396556 0.8806146 0.16822159 0.92217148 1.3836271
256000 0.99769832 1.0692142 0.03603972 0.90825537 1.37561
258000 0.97543457 1.0623702 0.076387425 0.89703273 1.3792596
260000 0.99005919 1.0412698 -0.19142244 0.8920687 1.3587022
262000 1.0014908 1.0353971 0.10763251 0.88126218 1.346977
264000 1.0392437 1.0236348 -0.19905313 0.87431966 1.3383363
266000 1.0110595 0.943378 -0.055766989 0.86561643 1.3383356
268000 1.0155932 0.84263415 -0.046929409 0.87912277 1.3349971
270000 1.060652 0.75643153 -0.10294749 0.87236853 1.3457342
272000 1.0069743 0.97553062 0.029040039 0.84867311 1.3119881
274000 1.0463214 0.67594148 -0.0069642173 0.83557725 1.3142664
276000 1.0042636 0.98929276 -0.12449786 0.834825 1.3009674
278000 0.97917004 1.1268906 -0.078323442 0.84264211 1.302196
280000 1.0082531 1.0527782 -0.036059017 0.83666146 1.3290452
282000 1.0154843 0.92086705 -0.068530775 0.83838607 1.3283441
284000 1.0098619 1.036216 0.037750753 0.83579051 1.3263873
286000 1.0066095 0.98446812 0.02654871 0.82548297 1.3204648
288000 1.0108484 0.9938665 0.0014634473 0.8212407 1.3432121
290000 1.0084713 0.97267996 -0.16071115 0.81647241 1.3116145
292000 1.0056589 0.84166635 0.11872697 0.80604569 1.2982472
294000 1.0209933 0.9891441 -0.08837825 0.7987701 1.2971225
296000 0.99782768 1.0931691 0.03252435 0.7933436 1.3227693
298000 0.97158829 1.0587163 -0.020509263 0.78826707 1.3403092
300000 0.99635509 1.0508706 -0.13999572 0.80661653 1.3636672
302000 1.0244367 0.98051456 0.078987418 0.79690906 1.3579957
304000 1.0164691 0.92957417 -0.052090111 0.78111523 1.3494573
306000 0.99640652 1.0046382 -0.17696034 0.78527471 1.3388528
308000 0.99001053 1.0661668 -0.040494857 0.78802705 1.3391576
310000 1.0176688 0.88160706 -0.16255132 0.77827469 1.328968
312000 1.0030797 1.1056347 0.2012843 0.77588955 1.3216876
314000 1.0135412 0.89411346 0.14573277 0.76605153 1.3369024
316000 1.0289246 0.95183363 -0.13790235 0.76142201 1.3264365
318000 1.0272076 1.0546778 -0.15570037 0.7550118 1.319986
320000 1.0233555 0.69600824 -0.051301259 0.75973858 1.316099
322000 1.0276771 1.006656 -0.037166444 0.77429945 1.3244899
324000 1.0009085 1.1030988 -0.045003287 0.77270822 1.3241261
326000 0.99820481 0.96157265 0.0051561382 0.77066804 1.313479
328000 1.0034746 0.9828709 0.04098644 0.77299241 1.3168281
330000 0.9855772 1.2748992 0.216881 0.76442667 1.3495639
332000 0.9965209 1.1130749 0.090747874 0.75969604 1.3482028
334000 1.035755 0.88167554 0.02819393 0.75757808 1.3424486
336000 0.99996774 1.0190301 0.063460214 0.75227901 1.3506673
338000 0.99767487 1.0766267 0.17431208 0.84059427 1.3246922
340000 1.0253142 0.95542815 -0.057965391 0.83723497 1.3293585
342000 1.0068098 0.97259996 0.10715327 0.83750839 1.326108
344000 0.99340991 1.0870946 -0.068506912 0.82881344 1.3279886
346000 1.0120696 1.0131809 -0.053688663 0.83810272 1.3174796
348000 1.0309753 0.89960386 -0.060363095 0.82821889 1.3105855
350000 1.0037776 1.0091603 0.02135905 0.82421593 1.3062743
352000 0.98591728 1.1377659 -0.083236455 0.82154361 1.3039211
354000 1.0080397 0.80849869 0.00928565 0.8133737 1.2966239
356000 1.0580451 0.75557573 -0.072592855 0.80584322 1.2906508
358000 1.030585 1.0380857 -0.080811662 0.8014706 1.2924957
360000 1.0095237 1.054976 -0.16712924 0.80086617 1.2972352
362000 1.0310879 0.84077595 0.080477352 0.79545805 1.2769439
364000 1.0000238 1.1775906 0.0031139552 0.79173356 1.2839778
366000 1.0190616 0.92848622 -0.046387272 0.79173254 1.3032921
368000 1.0089574 0.88967276 0.084507509 0.81055496 1.3028473
370000 0.98626285 1.0389475 0.15747394 0.81689831 1.2919537
372000 1.0179928 0.95338149 -0.079240909 0.80533945 1.2877439
374000 1.0036723 0.91169472 0.038159086 0.80466471 1.2811106
376000 1.0059869 0.90711389 -0.093438168 0.80486392 1.27755
378000 1.0376167 0.96969013 -0.11849733 0.79690186 1.2849264
380000 0.98982394 1.1608252 -0.038393364 0.79074513 1.2787152
382000 0.97137184 0.96619112 -0.034678175 0.79040338 1.2750988
384000 0.99272978 1.0509393 0.032343038 0.78854414 1.2713176
386000 1.0100648 0.96303847 -0.0497874 0.78404981 1.2846324
388000 0.99635597 1.016829 -0.04531565 0.7787559 1.306903
390000 1.0128857 1.0168535 0.030123764 0.77822522 1.2950826
392000 1.0414799 0.91612676 0.052204166 0.80240996 1.2882927
394000 0.98112978 1.0438272 -0.068667673 0.79384032 1.2811558
396000 0.97787678 1.0131718 -0.033109536 0.79605418 1.2692971
398000 1.0292431 0.90622851 -0.082576483 0.79540751 1.2680355
400000 1.0026087 1.0275497 0.087158222 0.79029414 1.2644206
402000 1.0163706 0.96588365 -0.029125811 0.78663679 1.2595275
404000 1.0262493 0.79007094 0.0079598958 0.78812507 1.2575526
406000 0.99487107 0.83977277 0.066596384 0.78322554 1.2506377
408000 1.0108518 1.1412871 0.041085191 0.78509472 1.2623544
410000 1.0026966 1.1125145 0.021404009 0.78266826 1.2703102
412000 1.0027426 1.1445941 0.10077025 0.77085701 1.2849866
414000 1.0525169 0.6688189 -0.071885452 0.77565161 1.2911903
416000 0.95514842 1.2198976 -0.020098364 0.76998705 1.2873301
418000 0.99853286 1.040174 -0.043752958 0.78683106 1.2936501
420000 0.96432983 1.2000605 0.0284884 0.78718481 1.312678
422000 1.0110338 0.88925615 -0.0056255993 0.79178119 1.3132659
424000 1.0077925 1.0625448 0.078586775 0.77982291 1.3031021
426000 0.98743189 1.0888581 0.12563331 0.77548305 1.2938035
428000 1.0112301 0.91688673 -0.1605337 0.76902093 1.2909986
430000 1.0283254 0.83233694 0.047589962 0.76791923 1.2841707
432000 0.97982409 1.1875522 -0.060520907 0.7726128 1.2775717
434000 0.9830003 1.2882445 0.026552191 0.77474589 1.2727174
436000 0.98158695 1.2184202 0.10011832 0.76992849 1.2604393
438000 1.0174602 0.98983657 -0.26731543 0.77292394 1.2570614
440000 1.0147922 0.99723521 0.10312258 0.77211658 1.2600691
442000 1.0185438 0.95378608 0.032898335 0.79194152 1.2533085
444000 0.97737381 1.2100163 0.022311362 0.78333762 1.2556328
446000 0.99593648 1.0999746 -0.041825149 0.80441311 1.2459874
448000 1.0259234 0.90080955 -0.057452702 0.80038521 1.2398877
450000 0.98873973 1.0019177 -0.14057947 0.79374658 1.2334462
452000 1.0059102 1.0666545 0.014242262 0.78886902 1.2270249
454000 0.99943215 1.1353551 0.070613563 0.78877577 1.2211064
456000 0.99123683 1.1310395 -0.019958521 0.8212975 1.2153723
458000 0.98476743 1.0628314 -0.024302081 0.84754857 1.2111254
460000 1.0139076 1.0181222 0.089182002 0.8711683 1.2012356
462000 1.0113822 1.1739975 -0.10175863 0.87381822 1.2134671
464000 1.0228404 1.0517714 -0.031783966 0.87936192 1.2110218
466000 1.0126934 0.96656763 -0.015021156 0.87512117 1.205325
468000 1.0070377 1.0378727 -0.0077122994 0.87144073 1.210374
470000 0.99238797 1.0832266 -0.041876018 0.87158524 1.2128182
472000 1.0169724 0.90761167 -0.12563948 0.87563801 1.2031687
474000 1.0025279 1.0050948 0.043906331 0.88508792 1.2034718
476000 0.99536702 0.89444096 0.14592241 0.88559122 1.2006404
478000 0.98866565 1.1754384 0.048623957 0.88245402 1.2048067
480000 0.98572668 0.90601784 -0.26268845 0.8766798 1.1959848
482000 1.014423 0.98209159 0.069121411 0.87638162 1.1900047
484000 1.0090002 0.9957509 -0.09367221 0.91979312 1.2095237
486000 0.99962993 1.0977267 -0.15748171 0.91796166 1.1883856
488000 0.98394002 1.0400853 -0.054203925 0.90840814 1.2065249
490000 1.0216626 0.95663779 -0.076119485 0.89955072 1.213275
492000 0.98450357 1.2970783 -0.1684919 0.9028997 1.2128895
494000 1.022591 0.82845032 -0.10149084 0.90006981 1.2103346
496000 1.0317595 0.79413446 0.12970065 0.91240504 1.2079784
498000 1.0375923 1.0063299 0.0090318777 0.91283445 1.209838
500000 1.009533 0.92939388 0.051496977 0.92195746 1.2070306
Loop time of 70.8372 on 1 procs for 500000 steps with 800 atoms
Performance: 3049246.649 tau/day, 7058.441 timesteps/s
99.9% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 47.562 | 47.562 | 47.562 | 0.0 | 67.14
Neigh | 12.145 | 12.145 | 12.145 | 0.0 | 17.14
Comm | 1.5125 | 1.5125 | 1.5125 | 0.0 | 2.14
Output | 0.004076 | 0.004076 | 0.004076 | 0.0 | 0.01
Modify | 7.2584 | 7.2584 | 7.2584 | 0.0 | 10.25
Other | | 2.355 | | | 3.32
Nlocal: 800 ave 800 max 800 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 271 ave 271 max 271 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 5622 ave 5622 max 5622 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 5622
Ave neighs/atom = 7.0275
Neighbor list builds = 59121
Dangerous builds = 0
variable etaxy equal v_vxy
variable etaxx equal v_vxx
variable eta equal 0.5*(${etaxy}+${etaxx})
variable eta equal 0.5*(0.921957460954984+${etaxx})
variable eta equal 0.5*(0.921957460954984+1.20703060474415)
print "running average viscosity: ${eta}"
running average viscosity: 1.06449403284957
Total wall time: 0:01:12
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