lammps/examples/granregion/log.27Nov18.granregion.mixe...

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LAMMPS (27 Nov 2018)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
using 1 OpenMP thread(s) per MPI task
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 ...
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
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair gran/hertz/history, perpetual
attributes: half, newton on, size, history
pair build: half/size/bin/newton
stencil: half/bin/3d/newton
bin: standard
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 (src/output.cpp:705)
thermo_modify flush yes lost warn
run 200000
Per MPI rank memory allocation (min/avg/max) = 5.862 | 5.862 | 5.862 Mbytes
Step CPU Atoms KinEng v_theta
0 0 0 -0 0
1000 0.15327144 444 -0 0.015707963
2000 0.30070925 444 -0 0.031415927
3000 0.44653535 444 -0 0.04712389
4000 0.59226131 444 -0 0.062831853
5000 0.73794818 444 -0 0.078539816
6000 0.88327622 444 -0 0.09424778
7000 1.0286083 444 -0 0.10995574
8000 1.1740625 444 -0 0.12566371
9000 1.3224797 444 -0 0.14137167
10000 1.4717772 444 -0 0.15707963
11000 1.6204555 444 -0 0.1727876
12000 1.7690799 444 -0 0.18849556
13000 1.918304 444 -0 0.20420352
14000 2.0670426 444 -0 0.21991149
15000 2.2157068 444 -0 0.23561945
16000 2.3642888 444 -0 0.25132741
17000 2.5129776 444 -0 0.26703538
18000 2.6614521 444 -0 0.28274334
19000 2.8100598 444 -0 0.2984513
20000 2.9591351 444 -0 0.31415927
21000 3.1073661 444 -0 0.32986723
22000 3.2557554 444 -0 0.34557519
23000 3.4041324 444 -0 0.36128316
24000 3.5526814 444 -0 0.37699112
25000 3.700824 444 -0 0.39269908
26000 3.8496137 444 -0 0.40840704
27000 3.9986103 444 -0 0.42411501
28000 4.1475384 444 -0 0.43982297
29000 4.2963772 444 -0 0.45553093
30000 4.4454341 444 -0 0.4712389
31000 4.5942066 444 -0 0.48694686
32000 4.7434044 444 -0 0.50265482
33000 4.893549 444 -0 0.51836279
34000 5.0427935 444 -0 0.53407075
35000 5.1920972 444 -0 0.54977871
36000 5.3411844 444 -0 0.56548668
37000 5.4904606 444 -0 0.58119464
38000 5.6397707 444 -0 0.5969026
39000 5.7900345 444 -0 0.61261057
40000 5.9405882 444 -0 0.62831853
41000 6.089345 444 -0 0.64402649
42000 6.2388933 444 -0 0.65973446
43000 6.3888056 444 -0 0.67544242
44000 6.5379841 444 -0 0.69115038
45000 6.6875141 444 -0 0.70685835
46000 6.8370855 444 -0 0.72256631
47000 6.9866009 444 -0 0.73827427
48000 7.1364653 444 -0 0.75398224
49000 7.2859883 444 -0 0.7696902
50000 7.4368248 444 -0 0.78539816
51000 7.5870779 444 -0 0.80110613
52000 7.7370813 444 -0 0.81681409
53000 7.8879561 444 -0 0.83252205
54000 8.0383027 444 -0 0.84823002
55000 8.1916294 444 -0 0.86393798
56000 8.3458471 444 -0 0.87964594
57000 8.5010631 444 -0 0.89535391
58000 8.6560545 444 -0 0.91106187
59000 8.8110209 444 -0 0.92676983
60000 8.9674675 444 -0 0.9424778
61000 9.1231239 444 -0 0.95818576
62000 9.2785382 444 -0 0.97389372
63000 9.4343674 444 -0 0.98960169
64000 9.5911541 444 -0 1.0053096
65000 9.7477772 444 -0 1.0210176
66000 9.9050307 444 -0 1.0367256
67000 10.063978 444 -0 1.0524335
68000 10.221835 444 -0 1.0681415
69000 10.37944 444 -0 1.0838495
70000 10.537409 444 -0 1.0995574
71000 10.695649 444 -0 1.1152654
72000 10.85453 444 -0 1.1309734
73000 11.013438 444 -0 1.1466813
74000 11.172689 444 -0 1.1623893
75000 11.332172 444 -0 1.1780972
76000 11.492824 444 -0 1.1938052
77000 11.653915 444 -0 1.2095132
78000 11.815798 444 -0 1.2252211
79000 11.97868 444 -0 1.2409291
80000 12.141392 444 -0 1.2566371
81000 12.30536 444 -0 1.272345
82000 12.468797 444 -0 1.288053
83000 12.633028 444 -0 1.303761
84000 12.797936 444 -0 1.3194689
85000 13.019726 888 -0 1.3351769
86000 13.333436 888 -0 1.3508848
87000 13.648179 888 -0 1.3665928
88000 13.962435 888 -0 1.3823008
89000 14.276158 888 -0 1.3980087
90000 14.590669 888 -0 1.4137167
91000 14.904268 888 -0 1.4294247
92000 15.216788 888 -0 1.4451326
93000 15.529868 888 -0 1.4608406
94000 15.843157 888 -0 1.4765485
95000 16.156564 888 -0 1.4922565
96000 16.469569 888 -0 1.5079645
97000 16.784048 888 -0 1.5236724
98000 17.100451 888 -0 1.5393804
99000 17.416338 888 -0 1.5550884
100000 17.733482 888 -0 1.5707963
101000 18.052522 888 -0 1.5865043
102000 18.371428 888 -0 1.6022123
103000 18.690222 888 -0 1.6179202
104000 19.009665 888 -0 1.6336282
105000 19.328189 888 -0 1.6493361
106000 19.647804 888 -0 1.6650441
107000 19.96805 888 -0 1.6807521
108000 20.286857 888 -0 1.69646
109000 20.607965 888 -0 1.712168
110000 20.931749 888 -0 1.727876
111000 21.251903 888 -0 1.7435839
112000 21.572158 888 -0 1.7592919
113000 21.892612 888 -0 1.7749998
114000 22.214408 888 -0 1.7907078
115000 22.535498 888 -0 1.8064158
116000 22.856752 888 -0 1.8221237
117000 23.178885 888 -0 1.8378317
118000 23.501127 888 -0 1.8535397
119000 23.8241 888 -0 1.8692476
120000 24.147258 888 -0 1.8849556
121000 24.472969 888 -0 1.9006636
122000 24.799108 888 -0 1.9163715
123000 25.125275 888 -0 1.9320795
124000 25.453866 888 -0 1.9477874
125000 25.784766 888 -0 1.9634954
126000 26.117013 888 -0 1.9792034
127000 26.448734 888 -0 1.9949113
128000 26.780032 888 -0 2.0106193
129000 27.113678 888 -0 2.0263273
130000 27.450001 888 -0 2.0420352
131000 27.782047 888 -0 2.0577432
132000 28.114287 888 -0 2.0734512
133000 28.446648 888 -0 2.0891591
134000 28.780438 888 -0 2.1048671
135000 29.116443 888 -0 2.120575
136000 29.451848 888 -0 2.136283
137000 29.787778 888 -0 2.151991
138000 30.12804 888 -0 2.1676989
139000 30.46814 888 -0 2.1834069
140000 30.808946 888 -0 2.1991149
141000 31.147584 888 -0 2.2148228
142000 31.486475 888 -0 2.2305308
143000 31.826754 888 -0 2.2462387
144000 32.165796 888 -0 2.2619467
145000 32.506074 888 -0 2.2776547
146000 32.847604 888 -0 2.2933626
147000 33.188988 888 -0 2.3090706
148000 33.532869 888 -0 2.3247786
149000 33.876629 888 -0 2.3404865
150000 34.221172 888 -0 2.3561945
151000 34.562559 888 -0 2.3719025
152000 34.904679 888 -0 2.3876104
153000 35.247727 888 -0 2.4033184
154000 35.591228 888 -0 2.4190263
155000 35.949192 888 -0 2.4347343
156000 36.320157 888 -0 2.4504423
157000 36.693571 888 -0 2.4661502
158000 37.069463 888 -0 2.4818582
159000 37.44221 888 -0 2.4975662
160000 37.81863 888 -0 2.5132741
161000 38.195121 888 -0 2.5289821
162000 38.573424 888 -0 2.54469
163000 38.950044 888 -0 2.560398
164000 39.331977 888 -0 2.576106
165000 39.714367 888 -0 2.5918139
166000 40.097099 888 -0 2.6075219
167000 40.477443 888 -0 2.6232299
168000 40.860404 888 -0 2.6389378
169000 41.244357 888 -0 2.6546458
170000 41.658126 1000 -0 2.6703538
171000 42.082517 1000 -0 2.6860617
172000 42.507502 1000 -0 2.7017697
173000 42.93363 1000 -0 2.7174776
174000 43.361133 1000 -0 2.7331856
175000 43.792381 1000 -0 2.7488936
176000 44.223827 1000 -0 2.7646015
177000 44.656581 1000 -0 2.7803095
178000 45.087615 1000 -0 2.7960175
179000 45.521129 1000 -0 2.8117254
180000 45.957808 1000 -0 2.8274334
181000 46.391451 1000 -0 2.8431414
182000 46.825486 1000 -0 2.8588493
183000 47.26091 1000 -0 2.8745573
184000 47.694263 1000 -0 2.8902652
185000 48.123312 1000 -0 2.9059732
186000 48.554081 1000 -0 2.9216812
187000 48.982617 1000 -0 2.9373891
188000 49.414355 1000 -0 2.9530971
189000 49.84753 1000 -0 2.9688051
190000 50.284462 1000 -0 2.984513
191000 50.71899 1000 -0 3.000221
192000 51.157278 1000 -0 3.0159289
193000 51.586171 1000 -0 3.0316369
194000 52.011691 1000 -0 3.0473449
195000 52.437732 1000 -0 3.0630528
196000 52.863703 1000 -0 3.0787608
197000 53.290403 1000 -0 3.0944688
198000 53.7191 1000 -0 3.1101767
199000 54.147195 1000 -0 3.1258847
200000 54.575967 1000 -0 3.1415927
Loop time of 54.576 on 1 procs for 200000 steps with 1000 atoms
Performance: 14960.907 tau/day, 3664.615 timesteps/s
98.9% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 3.7989 | 3.7989 | 3.7989 | 0.0 | 6.96
Neigh | 0.067629 | 0.067629 | 0.067629 | 0.0 | 0.12
Comm | 0.63734 | 0.63734 | 0.63734 | 0.0 | 1.17
Output | 0.0049303 | 0.0049303 | 0.0049303 | 0.0 | 0.01
Modify | 49.1 | 49.1 | 49.1 | 0.0 | 89.97
Other | | 0.9668 | | | 1.77
Nlocal: 1000 ave 1000 max 1000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 196 ave 196 max 196 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 3910 ave 3910 max 3910 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 3910
Ave neighs/atom = 3.91
Neighbor list builds = 219
Dangerous builds = 0
unfix ins
run 200000
Per MPI rank memory allocation (min/avg/max) = 12.65 | 12.65 | 12.65 Mbytes
Step CPU Atoms KinEng v_theta
200000 0 1000 0.93873133 3.1415927
201000 0.4261198 1000 0.93239566 3.1573006
202000 0.84928846 1000 0.90333835 3.1730086
203000 1.2720087 1000 0.89351493 3.1887165
204000 1.6929317 1000 0.87648478 3.2044245
205000 2.114043 1000 0.86818482 3.2201325
206000 2.5357664 1000 0.86033251 3.2358404
207000 2.9579847 1000 0.85442625 3.2515484
208000 3.3812878 1000 0.8517451 3.2672564
209000 3.8124611 1000 0.84406987 3.2829643
210000 4.2440236 1000 0.83964642 3.2986723
211000 4.6781921 1000 0.82994066 3.3143802
212000 5.1116509 1000 0.82908369 3.3300882
213000 5.5468135 1000 0.83115482 3.3457962
214000 5.9802556 1000 0.82680518 3.3615041
215000 6.4107294 1000 0.8223909 3.3772121
216000 6.8419023 1000 0.81872537 3.3929201
217000 7.2763367 1000 0.82446065 3.408628
218000 7.7160695 1000 0.82278874 3.424336
219000 8.1540956 1000 0.83017397 3.440044
220000 8.5917952 1000 0.82232305 3.4557519
221000 9.0296218 1000 0.82584132 3.4714599
222000 9.4719794 1000 0.82143909 3.4871678
223000 9.9180939 1000 0.82925587 3.5028758
224000 10.361852 1000 0.84546265 3.5185838
225000 10.803539 1000 0.84436452 3.5342917
226000 11.248456 1000 0.84849375 3.5499997
227000 11.695092 1000 0.8409057 3.5657077
228000 12.136044 1000 0.83139305 3.5814156
229000 12.579807 1000 0.83098473 3.5971236
230000 13.02219 1000 0.81335147 3.6128316
231000 13.463863 1000 0.78946649 3.6285395
232000 13.906293 1000 0.78807613 3.6442475
233000 14.348807 1000 0.79086655 3.6599554
234000 14.793175 1000 0.79358862 3.6756634
235000 15.238316 1000 0.79444252 3.6913714
236000 15.683342 1000 0.79392156 3.7070793
237000 16.12611 1000 0.80416034 3.7227873
238000 16.5711 1000 0.80365093 3.7384953
239000 17.014355 1000 0.80860323 3.7542032
240000 17.454467 1000 0.80245788 3.7699112
241000 17.89162 1000 0.79602568 3.7856191
242000 18.330859 1000 0.79023692 3.8013271
243000 18.769301 1000 0.79066782 3.8170351
244000 19.211293 1000 0.77671368 3.832743
245000 19.651443 1000 0.77121874 3.848451
246000 20.092102 1000 0.74658977 3.864159
247000 20.532732 1000 0.73825017 3.8798669
248000 20.975646 1000 0.7187986 3.8955749
249000 21.418807 1000 0.71707058 3.9112829
250000 21.862497 1000 0.72983635 3.9269908
251000 22.311832 1000 0.7355358 3.9426988
252000 22.75883 1000 0.74427811 3.9584067
253000 23.203455 1000 0.74968093 3.9741147
254000 23.651472 1000 0.75350303 3.9898227
255000 24.102152 1000 0.75617916 4.0055306
256000 24.554236 1000 0.74949839 4.0212386
257000 25.008718 1000 0.73534118 4.0369466
258000 25.461913 1000 0.73761942 4.0526545
259000 25.916674 1000 0.75485851 4.0683625
260000 26.373941 1000 0.77147511 4.0840704
261000 26.832072 1000 0.76658917 4.0997784
262000 27.28741 1000 0.76441563 4.1154864
263000 27.742157 1000 0.74449444 4.1311943
264000 28.192718 1000 0.7403314 4.1469023
265000 28.642541 1000 0.74262656 4.1626103
266000 29.09406 1000 0.74117022 4.1783182
267000 29.547747 1000 0.73877643 4.1940262
268000 29.998243 1000 0.75062626 4.2097342
269000 30.449751 1000 0.74649396 4.2254421
270000 30.901232 1000 0.75371324 4.2411501
271000 31.354755 1000 0.75254842 4.256858
272000 31.810717 1000 0.74245946 4.272566
273000 32.265754 1000 0.73056023 4.288274
274000 32.719719 1000 0.72004393 4.3039819
275000 33.173929 1000 0.70665742 4.3196899
276000 33.628581 1000 0.69417262 4.3353979
277000 34.080936 1000 0.67343474 4.3511058
278000 34.532053 1000 0.66922758 4.3668138
279000 34.985569 1000 0.66239909 4.3825218
280000 35.443496 1000 0.66406486 4.3982297
281000 35.901536 1000 0.67123654 4.4139377
282000 36.357765 1000 0.67660885 4.4296456
283000 36.811956 1000 0.6809288 4.4453536
284000 37.266937 1000 0.69561154 4.4610616
285000 37.720866 1000 0.70874512 4.4767695
286000 38.177032 1000 0.72957833 4.4924775
287000 38.633109 1000 0.72891066 4.5081855
288000 39.086933 1000 0.72673285 4.5238934
289000 39.538699 1000 0.72583062 4.5396014
290000 39.991294 1000 0.7209406 4.5553093
291000 40.437987 1000 0.70642559 4.5710173
292000 40.885753 1000 0.69074151 4.5867253
293000 41.326601 1000 0.68041469 4.6024332
294000 41.763719 1000 0.6712034 4.6181412
295000 42.198532 1000 0.66140336 4.6338492
296000 42.635139 1000 0.65458145 4.6495571
297000 43.071132 1000 0.63884999 4.6652651
298000 43.507309 1000 0.63182296 4.6809731
299000 43.943936 1000 0.6324286 4.696681
300000 44.383148 1000 0.62640427 4.712389
301000 44.819379 1000 0.62138494 4.7280969
302000 45.260834 1000 0.62902694 4.7438049
303000 45.705719 1000 0.63308052 4.7595129
304000 46.14622 1000 0.63266845 4.7752208
305000 46.586693 1000 0.63464534 4.7909288
306000 47.028768 1000 0.62941378 4.8066368
307000 47.470183 1000 0.62801025 4.8223447
308000 47.914518 1000 0.62291875 4.8380527
309000 48.365654 1000 0.62529494 4.8537606
310000 48.817185 1000 0.62504442 4.8694686
311000 49.269423 1000 0.63074915 4.8851766
312000 49.722869 1000 0.64292914 4.9008845
313000 50.175859 1000 0.65319818 4.9165925
314000 50.630132 1000 0.66755513 4.9323005
315000 51.084836 1000 0.67585436 4.9480084
316000 51.539391 1000 0.67676226 4.9637164
317000 51.995233 1000 0.67394312 4.9794244
318000 52.453581 1000 0.67299959 4.9951323
319000 52.906322 1000 0.68074615 5.0108403
320000 53.362206 1000 0.67696004 5.0265482
321000 53.813824 1000 0.67899008 5.0422562
322000 54.264433 1000 0.67901671 5.0579642
323000 54.715627 1000 0.67620354 5.0736721
324000 55.168 1000 0.67165541 5.0893801
325000 55.620891 1000 0.67820953 5.1050881
326000 56.073685 1000 0.67490808 5.120796
327000 56.526012 1000 0.67238149 5.136504
328000 56.977525 1000 0.66885914 5.152212
329000 57.431088 1000 0.66876389 5.1679199
330000 57.886694 1000 0.66879597 5.1836279
331000 58.338381 1000 0.66577546 5.1993358
332000 58.791084 1000 0.6602875 5.2150438
333000 59.242965 1000 0.65879422 5.2307518
334000 59.698559 1000 0.6581474 5.2464597
335000 60.153261 1000 0.6521249 5.2621677
336000 60.605605 1000 0.63371979 5.2778757
337000 61.059824 1000 0.62373279 5.2935836
338000 61.510606 1000 0.6212013 5.3092916
339000 61.962049 1000 0.62303395 5.3249995
340000 62.413564 1000 0.63183785 5.3407075
341000 62.86366 1000 0.64387158 5.3564155
342000 63.317623 1000 0.65045982 5.3721234
343000 63.772034 1000 0.65401192 5.3878314
344000 64.225206 1000 0.65181077 5.4035394
345000 64.681317 1000 0.64098248 5.4192473
346000 65.136483 1000 0.63163559 5.4349553
347000 65.588996 1000 0.64182161 5.4506633
348000 66.042215 1000 0.65528889 5.4663712
349000 66.501687 1000 0.66603277 5.4820792
350000 66.960896 1000 0.67362185 5.4977871
351000 67.417316 1000 0.68867905 5.5134951
352000 67.876742 1000 0.6907547 5.5292031
353000 68.336836 1000 0.69043981 5.544911
354000 68.797396 1000 0.68676964 5.560619
355000 69.255062 1000 0.68019369 5.576327
356000 69.711663 1000 0.66189875 5.5920349
357000 70.172728 1000 0.65275709 5.6077429
358000 70.632655 1000 0.64560617 5.6234508
359000 71.091165 1000 0.63865266 5.6391588
360000 71.548341 1000 0.6366388 5.6548668
361000 72.006137 1000 0.63619567 5.6705747
362000 72.466621 1000 0.63986167 5.6862827
363000 72.928505 1000 0.656198 5.7019907
364000 73.391876 1000 0.66522563 5.7176986
365000 73.852366 1000 0.67330205 5.7334066
366000 74.317924 1000 0.67997811 5.7491146
367000 74.781431 1000 0.67734915 5.7648225
368000 75.24363 1000 0.66811078 5.7805305
369000 75.704319 1000 0.67232161 5.7962384
370000 76.165294 1000 0.67262944 5.8119464
371000 76.624971 1000 0.68614241 5.8276544
372000 77.085918 1000 0.70293842 5.8433623
373000 77.544679 1000 0.71889856 5.8590703
374000 78.007103 1000 0.7170296 5.8747783
375000 78.468913 1000 0.71258031 5.8904862
376000 78.93354 1000 0.70758873 5.9061942
377000 79.39396 1000 0.69486822 5.9219022
378000 79.850685 1000 0.68311194 5.9376101
379000 80.307228 1000 0.67317549 5.9533181
380000 80.767418 1000 0.67691049 5.969026
381000 81.227579 1000 0.69231691 5.984734
382000 81.686924 1000 0.69998609 6.000442
383000 82.145783 1000 0.69328258 6.0161499
384000 82.604827 1000 0.69903908 6.0318579
385000 83.056443 1000 0.69455744 6.0475659
386000 83.507131 1000 0.68865933 6.0632738
387000 83.95695 1000 0.68630439 6.0789818
388000 84.404079 1000 0.6800564 6.0946897
389000 84.851053 1000 0.66747339 6.1103977
390000 85.298614 1000 0.65695883 6.1261057
391000 85.744507 1000 0.65659359 6.1418136
392000 86.191348 1000 0.65933663 6.1575216
393000 86.632782 1000 0.65170236 6.1732296
394000 87.074105 1000 0.65631817 6.1889375
395000 87.5177 1000 0.66205838 6.2046455
396000 87.963111 1000 0.65512694 6.2203535
397000 88.408348 1000 0.65266011 6.2360614
398000 88.854042 1000 0.64593806 6.2517694
399000 89.298754 1000 0.64940473 6.2674773
400000 89.745445 1000 0.66033435 6.2831853
Loop time of 89.7455 on 1 procs for 200000 steps with 1000 atoms
Performance: 9098.023 tau/day, 2228.525 timesteps/s
98.9% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 10.924 | 10.924 | 10.924 | 0.0 | 12.17
Neigh | 0.10266 | 0.10266 | 0.10266 | 0.0 | 0.11
Comm | 1.9424 | 1.9424 | 1.9424 | 0.0 | 2.16
Output | 0.0056458 | 0.0056458 | 0.0056458 | 0.0 | 0.01
Modify | 75.442 | 75.442 | 75.442 | 0.0 | 84.06
Other | | 1.329 | | | 1.48
Nlocal: 1000 ave 1000 max 1000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 272 ave 272 max 272 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 4933 ave 4933 max 4933 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 4933
Ave neighs/atom = 4.933
Neighbor list builds = 171
Dangerous builds = 0
Total wall time: 0:02:24