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lammps/examples/granregion/log.6Oct16.granregion.mixer.g++.1
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log.6Oct16.granregion.mixer.g++.1
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LAMMPS (5 Oct 2016)
variable name string mixer
thermo_modify flush yes
variable seed equal 14314
###############################################
# Particle parameters
################################################
variable rlo equal 0.3
variable rhi equal 0.6
variable dlo equal 2.0*${rlo}
variable dlo equal 2.0*0.3
variable dhi equal 2.0*${rhi}
variable dhi equal 2.0*0.6
variable skin equal ${rhi}
variable skin equal 0.6
variable coeffRes equal 0.1
variable coeffFric equal 0.5
variable kn equal 10^5
variable kt equal 0.2*${kn}
variable kt equal 0.2*100000
variable gravity equal 1.0
variable density equal 1.0
variable min_mass equal ${density}*4.0/3.0*PI*${rlo}*${rlo}*${rlo}
variable min_mass equal 1*4.0/3.0*PI*${rlo}*${rlo}*${rlo}
variable min_mass equal 1*4.0/3.0*PI*0.3*${rlo}*${rlo}
variable min_mass equal 1*4.0/3.0*PI*0.3*0.3*${rlo}
variable min_mass equal 1*4.0/3.0*PI*0.3*0.3*0.3
variable a equal (-2.0*log(${coeffRes})/PI)^2
variable a equal (-2.0*log(0.1)/PI)^2
variable gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a))
variable gamma_n equal sqrt(0.405284734569351*2*${kn}/${min_mass}/(1+0.25*$a))
variable gamma_n equal sqrt(0.405284734569351*2*100000/${min_mass}/(1+0.25*$a))
variable gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*$a))
variable gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*0.405284734569351))
variable gamma_t equal ${gamma_n}*0.5
variable gamma_t equal 806.699778405191*0.5
variable tcol equal PI/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
variable tcol equal PI/sqrt(2*100000/${min_mass}-${gamma_n}/4.0)
variable tcol equal PI/sqrt(2*100000/0.113097335529233-${gamma_n}/4.0)
variable tcol equal PI/sqrt(2*100000/0.113097335529233-806.699778405191/4.0)
variable dt equal ${tcol}*0.02
variable dt equal 0.00236257621510454*0.02
timestep ${dt}
timestep 4.72515243020908e-05
###############################################
variable dumpfreq equal 1000
variable logfreq equal 1000
newton on
atom_style sphere
boundary p p f
region boxreg block 0 20 0 20 0 20
create_box 1 boxreg
Created orthogonal box = (0 0 0) to (20 20 20)
1 by 1 by 1 MPI processor grid
pair_style gran/hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
pair_style gran/hertz/history 100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
pair_style gran/hertz/history 100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1
pair_style gran/hertz/history 100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1
pair_style gran/hertz/history 100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1
pair_style gran/hertz/history 100000 20000 806.699778405191 403.349889202595 0.5 1
pair_coeff * *
neighbor ${skin} bin
neighbor 0.6 bin
thermo ${logfreq}
thermo 1000
comm_style brick
comm_modify mode multi group all vel yes
balance 1.1 shift xyz 20 1.1
Neighbor list info ...
2 neighbor list requests
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 0
ghost atom cutoff = 0
binsize = 20 -> bins = 1 1 1
fix bal all balance 10000 1.1 shift xyz 20 1.01
####################### Options specific to pouring #########################
region insreg cylinder z 10 10 8 10 18 side in units box
region cylreg cylinder z 10 10 10 0 20 side in units box
variable theta equal (step/400000)*2*PI
region b1 block 2 18 9 11 0 4 side out rotate v_theta 10 10 0 0 0 1 units box
region b2 block 9 11 2 18 0 3.99999 side out rotate v_theta 10 10 0 0 0 1 units box
region mixer intersect 3 cylreg b1 b2 side in
fix grav all gravity ${gravity} vector 0 0 -1
fix grav all gravity 1 vector 0 0 -1
fix 1 all nve/sphere
fix mixwall all wall/gran/region hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
fix mixwall all wall/gran/region hertz/history 100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
fix mixwall all wall/gran/region hertz/history 100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1 region mixer
fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1 region mixer
fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 403.349889202595 0.5 1 region mixer
fix ins all pour 1000 1 42424 region insreg diam range ${dlo} ${dhi} dens ${density} ${density}
fix ins all pour 1000 1 42424 region insreg diam range 0.6 ${dhi} dens ${density} ${density}
fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens ${density} ${density}
fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens 1 ${density}
fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens 1 1
Particle insertion: 444 every 84653 steps, 1000 by step 169307
#dump 1 all custom ${dumpfreq} ${name}_pour.dump # id type mass diameter x y z
#dump 2 all image 4000 image.*.jpg type type # axes yes 0.8 0.02 view 60 -30 zoom 1.5 # box no 0.0 axes no 0.0 0.0
#dump_modify 2 pad 6
thermo_style custom step cpu atoms ke v_theta
WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:690)
thermo_modify flush yes lost warn
run 200000
Neighbor list info ...
2 neighbor list requests
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 1.8
ghost atom cutoff = 1.8
binsize = 0.9 -> bins = 23 23 23
Memory usage per processor = 2.80779 Mbytes
Step CPU Atoms KinEng v_theta
0 0 0 -0 0
1000 0.16771817 444 -0 0.015707963
2000 0.33019304 444 -0 0.031415927
3000 0.4894321 444 -0 0.04712389
4000 0.64879322 444 -0 0.062831853
5000 0.80816507 444 -0 0.078539816
6000 0.96711302 444 -0 0.09424778
7000 1.1265812 444 -0 0.10995574
8000 1.286129 444 -0 0.12566371
9000 1.445487 444 -0 0.14137167
10000 1.6056392 444 -0 0.15707963
11000 1.7650061 444 -0 0.1727876
12000 1.9249642 444 -0 0.18849556
13000 2.0851831 444 -0 0.20420352
14000 2.244523 444 -0 0.21991149
15000 2.4043641 444 -0 0.23561945
16000 2.5638251 444 -0 0.25132741
17000 2.7155962 444 -0 0.26703538
18000 2.866904 444 -0 0.28274334
19000 3.0188181 444 -0 0.2984513
20000 3.17047 444 -0 0.31415927
21000 3.3214712 444 -0 0.32986723
22000 3.472692 444 -0 0.34557519
23000 3.6240032 444 -0 0.36128316
24000 3.7753551 444 -0 0.37699112
25000 3.926239 444 -0 0.39269908
26000 4.0782132 444 -0 0.40840704
27000 4.2301712 444 -0 0.42411501
28000 4.382267 444 -0 0.43982297
29000 4.5339992 444 -0 0.45553093
30000 4.6860211 444 -0 0.4712389
31000 4.8376751 444 -0 0.48694686
32000 4.989748 444 -0 0.50265482
33000 5.1418142 444 -0 0.51836279
34000 5.294476 444 -0 0.53407075
35000 5.4472861 444 -0 0.54977871
36000 5.5999811 444 -0 0.56548668
37000 5.7526181 444 -0 0.58119464
38000 5.9061031 444 -0 0.5969026
39000 6.0593271 444 -0 0.61261057
40000 6.2123802 444 -0 0.62831853
41000 6.3652351 444 -0 0.64402649
42000 6.5186551 444 -0 0.65973446
43000 6.672132 444 -0 0.67544242
44000 6.8245611 444 -0 0.69115038
45000 6.9778051 444 -0 0.70685835
46000 7.131258 444 -0 0.72256631
47000 7.2841291 444 -0 0.73827427
48000 7.4379101 444 -0 0.75398224
49000 7.5915 444 -0 0.7696902
50000 7.7461231 444 -0 0.78539816
51000 7.9047191 444 -0 0.80110613
52000 8.0634432 444 -0 0.81681409
53000 8.2226322 444 -0 0.83252205
54000 8.3817451 444 -0 0.84823002
55000 8.5419021 444 -0 0.86393798
56000 8.701194 444 -0 0.87964594
57000 8.8613491 444 -0 0.89535391
58000 9.0211501 444 -0 0.91106187
59000 9.180917 444 -0 0.92676983
60000 9.341964 444 -0 0.9424778
61000 9.5026722 444 -0 0.95818576
62000 9.6630561 444 -0 0.97389372
63000 9.8236201 444 -0 0.98960169
64000 9.9854801 444 -0 1.0053096
65000 10.148318 444 -0 1.0210176
66000 10.311267 444 -0 1.0367256
67000 10.476498 444 -0 1.0524335
68000 10.640768 444 -0 1.0681415
69000 10.804709 444 -0 1.0838495
70000 10.969271 444 -0 1.0995574
71000 11.133451 444 -0 1.1152654
72000 11.299253 444 -0 1.1309734
73000 11.463999 444 -0 1.1466813
74000 11.62903 444 -0 1.1623893
75000 11.795109 444 -0 1.1780972
76000 11.962154 444 -0 1.1938052
77000 12.1292 444 -0 1.2095132
78000 12.298106 444 -0 1.2252211
79000 12.46744 444 -0 1.2409291
80000 12.637916 444 -0 1.2566371
81000 12.808494 444 -0 1.272345
82000 12.97813 444 -0 1.288053
83000 13.149135 444 -0 1.303761
84000 13.32082 444 -0 1.3194689
85000 13.56205 888 -0 1.3351769
86000 13.908699 888 -0 1.3508848
87000 14.254615 888 -0 1.3665928
88000 14.600851 888 -0 1.3823008
89000 14.946295 888 -0 1.3980087
90000 15.291315 888 -0 1.4137167
91000 15.637396 888 -0 1.4294247
92000 15.981426 888 -0 1.4451326
93000 16.327519 888 -0 1.4608406
94000 16.675434 888 -0 1.4765485
95000 17.023515 888 -0 1.4922565
96000 17.372152 888 -0 1.5079645
97000 17.719346 888 -0 1.5236724
98000 18.067159 888 -0 1.5393804
99000 18.414599 888 -0 1.5550884
100000 18.764775 888 -0 1.5707963
101000 19.114239 888 -0 1.5865043
102000 19.464285 888 -0 1.6022123
103000 19.813956 888 -0 1.6179202
104000 20.163276 888 -0 1.6336282
105000 20.553808 888 -0 1.6493361
106000 20.904093 888 -0 1.6650441
107000 21.25918 888 -0 1.6807521
108000 21.615056 888 -0 1.69646
109000 21.971067 888 -0 1.712168
110000 22.326407 888 -0 1.727876
111000 22.68062 888 -0 1.7435839
112000 23.03653 888 -0 1.7592919
113000 23.39161 888 -0 1.7749998
114000 23.751273 888 -0 1.7907078
115000 24.106946 888 -0 1.8064158
116000 24.461182 888 -0 1.8221237
117000 24.797533 888 -0 1.8378317
118000 25.133924 888 -0 1.8535397
119000 25.472617 888 -0 1.8692476
120000 25.810786 888 -0 1.8849556
121000 26.147399 888 -0 1.9006636
122000 26.485868 888 -0 1.9163715
123000 26.82395 888 -0 1.9320795
124000 27.162345 888 -0 1.9477874
125000 27.501503 888 -0 1.9634954
126000 27.843318 888 -0 1.9792034
127000 28.183379 888 -0 1.9949113
128000 28.525406 888 -0 2.0106193
129000 28.869601 888 -0 2.0263273
130000 29.216232 888 -0 2.0420352
131000 29.562432 888 -0 2.0577432
132000 29.95624 888 -0 2.0734512
133000 30.308919 888 -0 2.0891591
134000 30.662184 888 -0 2.1048671
135000 31.015509 888 -0 2.120575
136000 31.366132 888 -0 2.136283
137000 31.71887 888 -0 2.151991
138000 32.0723 888 -0 2.1676989
139000 32.428657 888 -0 2.1834069
140000 32.781484 888 -0 2.1991149
141000 33.133593 888 -0 2.2148228
142000 33.487376 888 -0 2.2305308
143000 33.838656 888 -0 2.2462387
144000 34.188723 888 -0 2.2619467
145000 34.540083 888 -0 2.2776547
146000 34.895624 888 -0 2.2933626
147000 35.25153 888 -0 2.3090706
148000 35.607482 888 -0 2.3247786
149000 35.9642 888 -0 2.3404865
150000 36.321759 888 -0 2.3561945
151000 36.667172 888 -0 2.3719025
152000 37.013822 888 -0 2.3876104
153000 37.362735 888 -0 2.4033184
154000 37.712576 888 -0 2.4190263
155000 38.063528 888 -0 2.4347343
156000 38.414666 888 -0 2.4504423
157000 38.766119 888 -0 2.4661502
158000 39.115828 888 -0 2.4818582
159000 39.470874 888 -0 2.4975662
160000 39.827871 888 -0 2.5132741
161000 40.184885 888 -0 2.5289821
162000 40.543838 888 -0 2.54469
163000 40.901814 888 -0 2.560398
164000 41.258631 888 -0 2.576106
165000 41.619086 888 -0 2.5918139
166000 41.977332 888 -0 2.6075219
167000 42.33775 888 -0 2.6232299
168000 42.701344 888 -0 2.6389378
169000 43.067663 888 -0 2.6546458
170000 43.461687 1000 -0 2.6703538
171000 43.866086 1000 -0 2.6860617
172000 44.271406 1000 -0 2.7017697
173000 44.677085 1000 -0 2.7174776
174000 45.082441 1000 -0 2.7331856
175000 45.491593 1000 -0 2.7488936
176000 45.903002 1000 -0 2.7646015
177000 46.315031 1000 -0 2.7803095
178000 46.726531 1000 -0 2.7960175
179000 47.140818 1000 -0 2.8117254
180000 47.553784 1000 -0 2.8274334
181000 47.964021 1000 -0 2.8431414
182000 48.376739 1000 -0 2.8588493
183000 48.789612 1000 -0 2.8745573
184000 49.204073 1000 -0 2.8902652
185000 49.642401 1000 -0 2.9059732
186000 50.083479 1000 -0 2.9216812
187000 50.523357 1000 -0 2.9373891
188000 50.963685 1000 -0 2.9530971
189000 51.404166 1000 -0 2.9688051
190000 51.849094 1000 -0 2.984513
191000 52.291805 1000 -0 3.000221
192000 52.731855 1000 -0 3.0159289
193000 53.174104 1000 -0 3.0316369
194000 53.619739 1000 -0 3.0473449
195000 54.061019 1000 -0 3.0630528
196000 54.501149 1000 -0 3.0787608
197000 54.940486 1000 -0 3.0944688
198000 55.381843 1000 -0 3.1101767
199000 55.822243 1000 -0 3.1258847
200000 56.264319 1000 -0 3.1415927
Loop time of 56.2643 on 1 procs for 200000 steps with 1000 atoms
Performance: 14511.970 tau/day, 3554.650 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 | 4.6309 | 4.6309 | 4.6309 | 0.0 | 8.23
Neigh | 0.071456 | 0.071456 | 0.071456 | 0.0 | 0.13
Comm | 0.50064 | 0.50064 | 0.50064 | 0.0 | 0.89
Output | 0.0039163 | 0.0039163 | 0.0039163 | 0.0 | 0.01
Modify | 50.189 | 50.189 | 50.189 | 0.0 | 89.20
Other | | 0.8688 | | | 1.54
Nlocal: 1000 ave 1000 max 1000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 183 ave 183 max 183 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 3926 ave 3926 max 3926 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 3926
Ave neighs/atom = 3.926
Neighbor list builds = 217
Dangerous builds = 0
unfix ins
run 200000
Neighbor list info ...
2 neighbor list requests
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 1.79826
ghost atom cutoff = 1.79826
binsize = 0.899132 -> bins = 23 23 23
Memory usage per processor = 8.62017 Mbytes
Step CPU Atoms KinEng v_theta
200000 0 1000 0.90078559 3.1415927
201000 0.44072509 1000 0.90377135 3.1573006
202000 0.8800211 1000 0.89194106 3.1730086
203000 1.3210881 1000 0.8940532 3.1887165
204000 1.762887 1000 0.8967696 3.2044245
205000 2.2080901 1000 0.89758718 3.2201325
206000 2.6548181 1000 0.89434418 3.2358404
207000 3.1002531 1000 0.87633906 3.2515484
208000 3.547334 1000 0.86721615 3.2672564
209000 3.993988 1000 0.86214817 3.2829643
210000 4.4423161 1000 0.85463743 3.2986723
211000 4.889446 1000 0.85744914 3.3143802
212000 5.3357229 1000 0.84702799 3.3300882
213000 5.780273 1000 0.84375104 3.3457962
214000 6.2249129 1000 0.83820701 3.3615041
215000 6.670651 1000 0.83566708 3.3772121
216000 7.113143 1000 0.83620798 3.3929201
217000 7.5359521 1000 0.83581605 3.408628
218000 7.9623129 1000 0.84045719 3.424336
219000 8.3878851 1000 0.85410521 3.440044
220000 8.8153811 1000 0.84336839 3.4557519
221000 9.244349 1000 0.85145747 3.4714599
222000 9.6728511 1000 0.8476916 3.4871678
223000 10.104052 1000 0.8412701 3.5028758
224000 10.532736 1000 0.8390277 3.5185838
225000 10.959564 1000 0.8359107 3.5342917
226000 11.38617 1000 0.83920631 3.5499997
227000 11.814104 1000 0.83930526 3.5657077
228000 12.241758 1000 0.83152308 3.5814156
229000 12.67198 1000 0.81211079 3.5971236
230000 13.101597 1000 0.80395018 3.6128316
231000 13.532943 1000 0.79991397 3.6285395
232000 13.969412 1000 0.80828959 3.6442475
233000 14.403885 1000 0.80892923 3.6599554
234000 14.833452 1000 0.82048914 3.6756634
235000 15.266211 1000 0.8174713 3.6913714
236000 15.697822 1000 0.81898551 3.7070793
237000 16.133023 1000 0.82034714 3.7227873
238000 16.569559 1000 0.81950728 3.7384953
239000 17.006308 1000 0.82152915 3.7542032
240000 17.445493 1000 0.83217597 3.7699112
241000 17.885585 1000 0.83464253 3.7856191
242000 18.324268 1000 0.84326166 3.8013271
243000 18.763748 1000 0.84235055 3.8170351
244000 19.203869 1000 0.83325408 3.832743
245000 19.645 1000 0.82577315 3.848451
246000 20.08666 1000 0.83923456 3.864159
247000 20.530596 1000 0.84153419 3.8798669
248000 20.971984 1000 0.85768309 3.8955749
249000 21.413571 1000 0.86910799 3.9112829
250000 21.854153 1000 0.8775521 3.9269908
251000 22.302884 1000 0.87299296 3.9426988
252000 22.753789 1000 0.86613861 3.9584067
253000 23.202458 1000 0.85513456 3.9741147
254000 23.655372 1000 0.84629733 3.9898227
255000 24.108225 1000 0.84154885 4.0055306
256000 24.561535 1000 0.84162715 4.0212386
257000 25.012338 1000 0.83959672 4.0369466
258000 25.466506 1000 0.83577695 4.0526545
259000 25.919168 1000 0.83021368 4.0683625
260000 26.37215 1000 0.81106893 4.0840704
261000 26.823834 1000 0.79884608 4.0997784
262000 27.276505 1000 0.78360303 4.1154864
263000 27.728503 1000 0.77030843 4.1311943
264000 28.181969 1000 0.76127974 4.1469023
265000 28.636329 1000 0.75553065 4.1626103
266000 29.090593 1000 0.75332019 4.1783182
267000 29.549547 1000 0.74670528 4.1940262
268000 30.008774 1000 0.74216141 4.2097342
269000 30.463826 1000 0.74564756 4.2254421
270000 30.920159 1000 0.7416035 4.2411501
271000 31.377192 1000 0.73061389 4.256858
272000 31.836268 1000 0.71620113 4.272566
273000 32.291662 1000 0.70840181 4.288274
274000 32.743646 1000 0.70946906 4.3039819
275000 33.197723 1000 0.70418049 4.3196899
276000 33.651405 1000 0.69591327 4.3353979
277000 34.106289 1000 0.69499716 4.3511058
278000 34.564324 1000 0.69242545 4.3668138
279000 35.020887 1000 0.69690811 4.3825218
280000 35.478222 1000 0.70402124 4.3982297
281000 35.938226 1000 0.71936578 4.4139377
282000 36.39808 1000 0.72439386 4.4296456
283000 36.855587 1000 0.72221632 4.4453536
284000 37.309629 1000 0.70387029 4.4610616
285000 37.791869 1000 0.70505716 4.4767695
286000 38.277853 1000 0.70731734 4.4924775
287000 38.764774 1000 0.71149743 4.5081855
288000 39.24815 1000 0.70994023 4.5238934
289000 39.728005 1000 0.69794225 4.5396014
290000 40.206798 1000 0.6905751 4.5553093
291000 40.678802 1000 0.68652972 4.5710173
292000 41.147991 1000 0.6743341 4.5867253
293000 41.618836 1000 0.67357205 4.6024332
294000 42.08982 1000 0.66465346 4.6181412
295000 42.561323 1000 0.65587678 4.6338492
296000 43.034196 1000 0.65455827 4.6495571
297000 43.505748 1000 0.65135145 4.6652651
298000 43.975299 1000 0.65400349 4.6809731
299000 44.447556 1000 0.66186899 4.696681
300000 44.926073 1000 0.66844193 4.712389
301000 45.402658 1000 0.67720506 4.7280969
302000 45.880643 1000 0.68554918 4.7438049
303000 46.359444 1000 0.69321489 4.7595129
304000 46.841542 1000 0.70345329 4.7752208
305000 47.323539 1000 0.70172137 4.7909288
306000 47.809358 1000 0.70989191 4.8066368
307000 48.291664 1000 0.70546377 4.8223447
308000 48.770327 1000 0.70820389 4.8380527
309000 49.248974 1000 0.69637815 4.8537606
310000 49.72965 1000 0.68679532 4.8694686
311000 50.204503 1000 0.68824984 4.8851766
312000 50.683502 1000 0.68647935 4.9008845
313000 51.161407 1000 0.68289956 4.9165925
314000 51.638365 1000 0.68356788 4.9323005
315000 52.114341 1000 0.68269829 4.9480084
316000 52.590791 1000 0.67961769 4.9637164
317000 53.043198 1000 0.67437047 4.9794244
318000 53.499062 1000 0.66534726 4.9951323
319000 53.954004 1000 0.66052125 5.0108403
320000 54.409776 1000 0.65351962 5.0265482
321000 54.867935 1000 0.64155441 5.0422562
322000 55.324528 1000 0.63463177 5.0579642
323000 55.780399 1000 0.62945691 5.0736721
324000 56.239189 1000 0.63156746 5.0893801
325000 56.697767 1000 0.63883759 5.1050881
326000 57.155746 1000 0.64703516 5.120796
327000 57.618744 1000 0.65532057 5.136504
328000 58.083021 1000 0.66697061 5.152212
329000 58.547646 1000 0.66896271 5.1679199
330000 59.011518 1000 0.66551963 5.1836279
331000 59.478689 1000 0.65083894 5.1993358
332000 59.94887 1000 0.65171641 5.2150438
333000 60.416096 1000 0.65122777 5.2307518
334000 60.889826 1000 0.65844334 5.2464597
335000 61.363105 1000 0.66931264 5.2621677
336000 61.832482 1000 0.66847415 5.2778757
337000 62.300731 1000 0.65863495 5.2935836
338000 62.769011 1000 0.64977739 5.3092916
339000 63.232862 1000 0.6454395 5.3249995
340000 63.699228 1000 0.63484999 5.3407075
341000 64.165101 1000 0.62753448 5.3564155
342000 64.631118 1000 0.62781442 5.3721234
343000 65.099469 1000 0.63813963 5.3878314
344000 65.576568 1000 0.6485183 5.4035394
345000 66.054068 1000 0.67111606 5.4192473
346000 66.531747 1000 0.68435581 5.4349553
347000 67.007296 1000 0.69526046 5.4506633
348000 67.478242 1000 0.6876531 5.4663712
349000 67.944422 1000 0.67962108 5.4820792
350000 68.410281 1000 0.6800934 5.4977871
351000 68.862112 1000 0.67658657 5.5134951
352000 69.316476 1000 0.67043355 5.5292031
353000 69.76356 1000 0.66863154 5.544911
354000 70.212144 1000 0.65806572 5.560619
355000 70.658375 1000 0.6498301 5.576327
356000 71.103688 1000 0.64384284 5.5920349
357000 71.551545 1000 0.64228421 5.6077429
358000 72.001238 1000 0.6408188 5.6234508
359000 72.45158 1000 0.64388002 5.6391588
360000 72.906369 1000 0.64347896 5.6548668
361000 73.358316 1000 0.65055455 5.6705747
362000 73.814119 1000 0.65545061 5.6862827
363000 74.277034 1000 0.6667431 5.7019907
364000 74.737593 1000 0.6869856 5.7176986
365000 75.20209 1000 0.69651407 5.7334066
366000 75.667448 1000 0.70824091 5.7491146
367000 76.132389 1000 0.7144853 5.7648225
368000 76.596067 1000 0.71780876 5.7805305
369000 77.059749 1000 0.7159398 5.7962384
370000 77.519236 1000 0.70648968 5.8119464
371000 77.977404 1000 0.69796557 5.8276544
372000 78.434017 1000 0.69876891 5.8433623
373000 78.887217 1000 0.70908957 5.8590703
374000 79.341658 1000 0.70831124 5.8747783
375000 79.802381 1000 0.70631178 5.8904862
376000 80.265165 1000 0.70533876 5.9061942
377000 80.727821 1000 0.70097225 5.9219022
378000 81.187538 1000 0.70139806 5.9376101
379000 81.645627 1000 0.69691027 5.9533181
380000 82.105692 1000 0.69163881 5.969026
381000 82.56483 1000 0.68973183 5.984734
382000 83.025126 1000 0.68059207 6.000442
383000 83.482786 1000 0.68096466 6.0161499
384000 83.939808 1000 0.6698933 6.0318579
385000 84.418408 1000 0.66795846 6.0475659
386000 84.898757 1000 0.66153854 6.0632738
387000 85.376756 1000 0.66560025 6.0789818
388000 85.853575 1000 0.66671699 6.0946897
389000 86.32865 1000 0.66013733 6.1103977
390000 86.807772 1000 0.66181942 6.1261057
391000 87.290335 1000 0.66281334 6.1418136
392000 87.773899 1000 0.66657879 6.1575216
393000 88.248567 1000 0.66608992 6.1732296
394000 88.723817 1000 0.66128929 6.1889375
395000 89.200089 1000 0.65764538 6.2046455
396000 89.671826 1000 0.65073015 6.2203535
397000 90.142595 1000 0.64967355 6.2360614
398000 90.616654 1000 0.65193957 6.2517694
399000 91.093856 1000 0.64936977 6.2674773
400000 91.571678 1000 0.65849743 6.2831853
Loop time of 91.5717 on 1 procs for 200000 steps with 1000 atoms
Performance: 8916.580 tau/day, 2184.081 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 | 13.827 | 13.827 | 13.827 | 0.0 | 15.10
Neigh | 0.097679 | 0.097679 | 0.097679 | 0.0 | 0.11
Comm | 1.5668 | 1.5668 | 1.5668 | 0.0 | 1.71
Output | 0.0042615 | 0.0042615 | 0.0042615 | 0.0 | 0.00
Modify | 74.804 | 74.804 | 74.804 | 0.0 | 81.69
Other | | 1.273 | | | 1.39
Nlocal: 1000 ave 1000 max 1000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 289 ave 289 max 289 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 5091 ave 5091 max 5091 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 5091
Ave neighs/atom = 5.091
Neighbor list builds = 160
Dangerous builds = 0
Total wall time: 0:02:27
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