Files
lammps/examples/granular/log.28Mar23.pour.heat.g++.1

1169 lines
89 KiB
Groff

LAMMPS (28 Mar 2023 - Development)
# pour one types of particles into cylinder and oscillate
# temperature of the bottom plate
variable name string heat_plate
atom_style sphere
units lj
###############################################
# Geometry-related parameters
###############################################
variable boxx equal 10
variable boxy equal 10
variable boxz equal 50
variable drum_rad equal ${boxx}*0.5
variable drum_rad equal 10*0.5
variable drum_height equal 30
variable xc equal 0.5*${boxx}
variable xc equal 0.5*10
variable yc equal 0.5*${boxx}
variable yc equal 0.5*10
variable zc equal 0.5*${boxz}
variable zc equal 0.5*50
###############################################
# Particle-related parameters
###############################################
variable rlo equal 0.25
variable rhi equal 0.5
variable dlo equal 2.0*${rlo}
variable dlo equal 2.0*0.25
variable dhi equal 2.0*${rhi}
variable dhi equal 2.0*0.5
variable cyl_rad_inner equal ${drum_rad}-1.1*${rhi}
variable cyl_rad_inner equal 5-1.1*${rhi}
variable cyl_rad_inner equal 5-1.1*0.5
variable dens equal 1.0
variable skin equal 0.4*${rhi}
variable skin equal 0.4*0.5
#############
processors * * 1
region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz}
region boxreg block 0 10 0 ${boxy} 0 ${boxz}
region boxreg block 0 10 0 10 0 ${boxz}
region boxreg block 0 10 0 10 0 50
create_box 2 boxreg
Created orthogonal box = (0 0 0) to (10 10 50)
1 by 1 by 1 MPI processor grid
change_box all boundary p p f
Changing box ...
pair_style granular
pair_coeff * * hertz/material 1e5 0.2 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji heat area 5.0
region curved_wall cylinder z ${xc} ${yc} ${drum_rad} 0 ${drum_height} side in
region curved_wall cylinder z 5 ${yc} ${drum_rad} 0 ${drum_height} side in
region curved_wall cylinder z 5 5 ${drum_rad} 0 ${drum_height} side in
region curved_wall cylinder z 5 5 5 0 ${drum_height} side in
region curved_wall cylinder z 5 5 5 0 30 side in
region bottom_wall plane ${xc} ${yc} 0 0 0 1 side in
region bottom_wall plane 5 ${yc} 0 0 0 1 side in
region bottom_wall plane 5 5 0 0 0 1 side in
region insreg cylinder z ${xc} ${yc} ${cyl_rad_inner} ${drum_height} ${boxz}
region insreg cylinder z 5 ${yc} ${cyl_rad_inner} ${drum_height} ${boxz}
region insreg cylinder z 5 5 ${cyl_rad_inner} ${drum_height} ${boxz}
region insreg cylinder z 5 5 4.45 ${drum_height} ${boxz}
region insreg cylinder z 5 5 4.45 30 ${boxz}
region insreg cylinder z 5 5 4.45 30 50
fix 0 all property/atom temperature heatflow
WARNING: Fix property/atom mol, charge, rmass, temperature, or heatflow w/out ghost communication (../fix_property_atom.cpp:194)
fix 1 all balance 100 1.0 shift xy 5 1.1
fix 2 all nve/sphere
fix 3 all heat/flow constant 1.0
fix grav all gravity 10 vector 0 0 -1
fix ins1 all pour 1000 1 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens}
fix ins1 all pour 1000 1 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens}
fix ins1 all pour 1000 1 1234 region insreg diam range 0.5 1 dens ${dens} ${dens}
fix ins1 all pour 1000 1 1234 region insreg diam range 0.5 1 dens 1 ${dens}
fix ins1 all pour 1000 1 1234 region insreg diam range 0.5 1 dens 1 1
Particle insertion: 594 every 400 steps, 1000 by step 401
fix ins2 all pour 1000 2 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens}
fix ins2 all pour 1000 2 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens}
fix ins2 all pour 1000 2 1234 region insreg diam range 0.5 1 dens ${dens} ${dens}
fix ins2 all pour 1000 2 1234 region insreg diam range 0.5 1 dens 1 ${dens}
fix ins2 all pour 1000 2 1234 region insreg diam range 0.5 1 dens 1 1
Particle insertion: 594 every 400 steps, 1000 by step 401
comm_modify vel yes
neighbor ${skin} bin
neighbor 0.2 bin
neigh_modify delay 0 every 1 check yes
variable oscillate equal 1.0*sin(step*0.0001)
fix 4 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region curved_wall
fix 5 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji heat area 5.0 region bottom_wall temperature v_oscillate
thermo_style custom step atoms ke pxx pyy pzz
thermo_modify lost warn
thermo 100
timestep 0.001
dump 1 all custom 1000 ${name}.dump id type radius mass x y z temperature heatflow
dump 1 all custom 1000 heat_plate.dump id type radius mass x y z temperature heatflow
run 100000
Generated 0 of 1 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 = 1.2
ghost atom cutoff = 1.2
binsize = 0.6, bins = 17 17 84
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair granular, perpetual
attributes: half, newton on, size, history
pair build: half/size/bin/newton
stencil: half/bin/3d
bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.944 | 5.944 | 5.944 Mbytes
Step Atoms KinEng Pxx Pyy Pzz
0 0 -0 0 0 0
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
100 536 -0 0 0 7.4220499
200 536 -0 0 0 10.753096
300 536 -0 0 0 13.500241
400 536 -0 0 0 18.036636
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
500 903 -0 0 0 25.955524
600 903 -0 0 0 32.116907
700 903 -0 0.03620165 0.033499977 32.179357
800 903 -0 0.2106713 0.26431108 36.206318
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
900 1265 -0 0.2667335 0.20266671 44.177757
1000 1265 -0 0.51829264 0.67739216 49.904079
1100 1265 -0 0.87526847 0.66040207 53.13465
1200 1265 -0 0.7989492 0.81976513 54.277194
WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
1300 1618 -0 1.0736038 1.2317728 60.921948
1400 1618 -0 3.6835952 3.1929764 60.725834
1500 1618 -0 2.756994 2.611876 61.575807
1600 1618 -0 3.3981246 3.253067 61.920098
1700 2000 -0 3.8273855 3.6731016 68.643557
1800 2000 -0 4.7528855 4.4495018 69.914035
1900 2000 -0 5.1197897 5.3612522 76.341875
2000 2000 -0 7.4609619 7.3959134 76.619654
2100 2000 -0 6.8808532 7.6237902 73.684129
2200 2000 -0 10.034925 9.4881564 72.897703
2300 2000 -0 10.110575 10.379096 70.330499
2400 2000 -0 12.458237 12.285825 68.726515
2500 2000 -0 11.081771 11.120864 59.216898
2600 2000 -0 11.441977 11.532286 57.698842
2700 2000 -0 12.285359 11.905254 56.086117
2800 2000 -0 13.392058 13.168532 54.678918
2900 2000 -0 12.439277 12.212282 49.214122
3000 2000 -0 11.12664 11.09865 43.35763
3100 2000 -0 12.899283 12.735645 45.72121
3200 2000 -0 13.397802 12.892421 40.82795
3300 2000 -0 11.935141 11.858897 33.412627
3400 2000 -0 12.005889 11.539848 29.290034
3500 2000 -0 13.311405 13.11741 27.54997
3600 2000 -0 11.985219 11.954031 21.79518
3700 2000 -0 10.728636 9.800667 14.497682
3800 2000 -0 10.082744 9.6420894 12.241554
3900 2000 -0 9.6227604 9.1331298 10.31104
4000 2000 -0 8.9197423 8.5118438 7.6564098
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5000 2000 -0 7.9378811 7.5115542 6.5001617
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5300 2000 -0 7.9305032 7.5191693 6.5372085
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6000 2000 -0 7.941019 7.5216292 6.5431831
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10000 2000 -0 7.9488016 7.5280346 6.5482727
10100 2000 -0 7.9490863 7.5283793 6.5508377
10200 2000 -0 7.9494738 7.5286559 6.5521934
10300 2000 -0 7.94897 7.5280769 6.5494088
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10700 2000 -0 7.9491801 7.5281441 6.5499963
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65000 2000 -0 7.9487321 7.5276559 6.5514199
65100 2000 -0 7.9487231 7.5276701 6.5513954
65200 2000 -0 7.948717 7.5276826 6.5513748
65300 2000 -0 7.9487132 7.5276931 6.5513585
65400 2000 -0 7.948711 7.5277014 6.5513461
65500 2000 -0 7.9487098 7.5277075 6.5513372
65600 2000 -0 7.9487092 7.5277115 6.5513315
65700 2000 -0 7.9487086 7.5277135 6.5513284
65800 2000 -0 7.948708 7.5277137 6.5513277
65900 2000 -0 7.9487071 7.527712 6.5513291
66000 2000 -0 7.948706 7.5277085 6.5513326
66100 2000 -0 7.9487047 7.5277032 6.5513384
66200 2000 -0 7.9487036 7.527696 6.5513467
66300 2000 -0 7.9487029 7.5276867 6.5513582
66400 2000 -0 7.9487033 7.5276753 6.5513731
66500 2000 -0 7.9487052 7.5276618 6.551392
66600 2000 -0 7.9487093 7.5276463 6.5514151
66700 2000 -0 7.9487163 7.5276292 6.5514421
66800 2000 -0 7.9487266 7.5276112 6.5514722
66900 2000 -0 7.9487402 7.5275932 6.5515039
67000 2000 -0 7.9487567 7.5275765 6.5515348
67100 2000 -0 7.9487752 7.5275621 6.5515623
67200 2000 -0 7.9487943 7.5275511 6.5515841
67300 2000 -0 7.9488127 7.5275442 6.5515986
67400 2000 -0 7.9488291 7.5275415 6.5516055
67500 2000 -0 7.9488435 7.5275438 6.5516054
67600 2000 -0 7.9488528 7.5275468 6.5515999
67700 2000 -0 7.9488606 7.5275528 6.5515912
67800 2000 -0 7.9488653 7.52756 6.5515805
67900 2000 -0 7.9488678 7.5275674 6.5515696
68000 2000 -0 7.9488689 7.5275741 6.5515598
68100 2000 -0 7.9488688 7.5275798 6.5515513
68200 2000 -0 7.9488681 7.5275839 6.5515449
68300 2000 -0 7.9488671 7.5275863 6.5515409
68400 2000 -0 7.9488661 7.527587 6.5515394
68500 2000 -0 7.9488652 7.5275857 6.5515407
68600 2000 -0 7.9488645 7.5275825 6.551544
68700 2000 -0 7.9488637 7.5275774 6.5515497
68800 2000 -0 7.9488629 7.5275707 6.5515579
68900 2000 -0 7.9488616 7.5275623 6.5515684
69000 2000 -0 7.9488595 7.5275526 6.5515805
69100 2000 -0 7.9488561 7.5275422 6.551594
69200 2000 -0 7.9488509 7.5275315 6.5516081
69300 2000 -0 7.9488433 7.5275215 6.551621
69400 2000 -0 7.9488328 7.5275132 6.5516314
69500 2000 -0 7.9488192 7.5275075 6.5516376
69600 2000 -0 7.9488027 7.5275054 6.5516375
69700 2000 -0 7.9487837 7.5275074 6.5516299
69800 2000 -0 7.9487633 7.5275136 6.5516148
69900 2000 -0 7.9487429 7.5275237 6.551593
70000 2000 -0 7.9487238 7.5275367 6.5515664
70100 2000 -0 7.9487071 7.5275514 6.5515379
70200 2000 -0 7.9486936 7.5275666 6.5515098
70300 2000 -0 7.9486834 7.5275813 6.551484
70400 2000 -0 7.9486763 7.5275945 6.5514618
70500 2000 -0 7.9486716 7.5276059 6.5514438
70600 2000 -0 7.9486689 7.5276151 6.5514298
70700 2000 -0 7.9486674 7.527622 6.5514196
70800 2000 -0 7.9486667 7.5276269 6.5514127
70900 2000 -0 7.9486661 7.5276297 6.5514086
71000 2000 -0 7.9486656 7.5276306 6.5514069
71100 2000 -0 7.9486648 7.5276297 6.5514073
71200 2000 -0 7.9486638 7.527627 6.5514099
71300 2000 -0 7.9486626 7.5276226 6.5514146
71400 2000 -0 7.9486614 7.5276163 6.5514217
71500 2000 -0 7.9486605 7.527608 6.5514317
71600 2000 -0 7.9486603 7.5275976 6.5514449
71700 2000 -0 7.9486614 7.5275851 6.5514619
71800 2000 -0 7.9486644 7.5275705 6.5514829
71900 2000 -0 7.94867 7.5275542 6.5515081
72000 2000 -0 7.9486787 7.5275366 6.5515368
72100 2000 -0 7.9486908 7.5275189 6.551568
72200 2000 -0 7.9487059 7.5275011 6.5515994
72300 2000 -0 7.9487235 7.5274855 6.5516286
72400 2000 -0 7.9487426 7.5274729 6.5516533
72500 2000 -0 7.9487614 7.527464 6.5516713
72600 2000 -0 7.9487788 7.5274593 6.5516817
72700 2000 -0 7.9487938 7.5274587 6.5516848
72800 2000 -0 7.9488058 7.5274616 6.5516817
72900 2000 -0 7.9488146 7.5274669 6.5516742
73000 2000 -0 7.9488205 7.5274738 6.5516642
73100 2000 -0 7.9488269 7.5274812 6.5516534
73200 2000 -0 7.9488257 7.5274883 6.5516429
73300 2000 -0 7.9488261 7.5274945 6.5516336
73400 2000 -0 7.9488256 7.5274994 6.5516262
73500 2000 -0 7.9488248 7.5275027 6.551621
73600 2000 -0 7.9488238 7.5275043 6.5516181
73700 2000 -0 7.9488228 7.5275041 6.551618
73800 2000 -0 7.948822 7.527502 6.5516204
73900 2000 -0 7.9488212 7.5274979 6.5516247
74000 2000 -0 7.9488205 7.527492 6.5516315
74100 2000 -0 7.9488195 7.5274845 6.551641
74200 2000 -0 7.9488179 7.5274755 6.5516522
74300 2000 -0 7.9488153 7.5274655 6.551665
74400 2000 -0 7.9488112 7.5274549 6.5516789
74500 2000 -0 7.9488049 7.5274445 6.5516926
74600 2000 -0 7.9487961 7.5274352 6.5517045
74700 2000 -0 7.9487842 7.527428 6.5517132
74800 2000 -0 7.9487693 7.5274239 6.5517167
74900 2000 -0 7.9487516 7.5274236 6.5517132
75000 2000 -0 7.9487319 7.5274276 6.5517022
75100 2000 -0 7.9487114 7.5274356 6.551684
75200 2000 -0 7.9486914 7.5274472 6.5516598
75300 2000 -0 7.9486734 7.5274611 6.5516321
75400 2000 -0 7.9486581 7.5274761 6.5516036
75500 2000 -0 7.9486462 7.5274912 6.5515764
75600 2000 -0 7.9486374 7.5275053 6.5515521
75700 2000 -0 7.9486315 7.5275177 6.5515319
75800 2000 -0 7.9486278 7.5275281 6.5515157
75900 2000 -0 7.9486258 7.5275363 6.5515035
76000 2000 -0 7.9486247 7.5275423 6.5514948
76100 2000 -0 7.9486241 7.5275463 6.5514892
76200 2000 -0 7.9486236 7.5275483 6.5514861
76300 2000 -0 7.948623 7.5275484 6.5514853
76400 2000 -0 7.9486222 7.5275468 6.5514867
76500 2000 -0 7.9486211 7.5275435 6.5514901
76600 2000 -0 7.9486198 7.5275383 6.5514957
76700 2000 -0 7.9486187 7.5275312 6.5515039
76800 2000 -0 7.948618 7.5275222 6.551515
76900 2000 -0 7.9486182 7.527511 6.5515295
77000 2000 -0 7.9486199 7.5274977 6.551548
77100 2000 -0 7.9486238 7.5274825 6.5515706
77200 2000 -0 7.9486305 7.5274656 6.5515971
77300 2000 -0 7.9486405 7.5274478 6.5516268
77400 2000 -0 7.9486537 7.5274299 6.5516582
77500 2000 -0 7.9486699 7.527413 6.551689
77600 2000 -0 7.9486881 7.5273985 6.5517168
77700 2000 -0 7.9487072 7.5273872 6.5517391
77800 2000 -0 7.9487256 7.5273799 6.5517543
77900 2000 -0 7.9487421 7.5273768 6.5517619
78000 2000 -0 7.948756 7.5273776 6.5517625
78100 2000 -0 7.9487668 7.5273814 6.5517576
78200 2000 -0 7.9487745 7.5273874 6.551749
78300 2000 -0 7.9487795 7.5273946 6.5517385
78400 2000 -0 7.9487822 7.527402 6.5517276
78500 2000 -0 7.9487834 7.5274089 6.5517175
78600 2000 -0 7.9487834 7.5274147 6.5517089
78700 2000 -0 7.9487828 7.5274191 6.5517022
78800 2000 -0 7.9487818 7.5274218 6.5516978
78900 2000 -0 7.9487808 7.5274228 6.5516958
79000 2000 -0 7.9487799 7.5274219 6.5516967
79100 2000 -0 7.9487792 7.5274192 6.5516996
79200 2000 -0 7.9487784 7.5274145 6.5517047
79300 2000 -0 7.9487776 7.5274081 6.5517124
79400 2000 -0 7.9487765 7.5274002 6.5517225
79500 2000 -0 7.9487747 7.5273908 6.5517341
79600 2000 -0 7.9487717 7.5273805 6.5517474
79700 2000 -0 7.948767 7.52737 6.5517614
79800 2000 -0 7.9487601 7.5273598 6.5517746
79900 2000 -0 7.9487504 7.527351 6.5517858
80000 2000 -0 7.9487377 7.5273446 6.5517931
80100 2000 -0 7.9487219 7.5273416 6.5517947
80200 2000 -0 7.9487036 7.5273426 6.551789
80300 2000 -0 7.9486836 7.5273478 6.5517759
80400 2000 -0 7.9486632 7.5273569 6.5517558
80500 2000 -0 7.9486437 7.5273692 6.5517304
80600 2000 -0 7.9486265 7.5273836 6.5517023
80700 2000 -0 7.9486122 7.5273987 6.5516741
80800 2000 -0 7.9486012 7.5274136 6.5516477
80900 2000 -0 7.9485934 7.5274272 6.5516246
81000 2000 -0 7.9485882 7.5274391 6.5516056
81100 2000 -0 7.9485859 7.5274494 6.5515908
81200 2000 -0 7.9485834 7.5274563 6.5515794
81300 2000 -0 7.9485825 7.5274618 6.5515718
81400 2000 -0 7.948582 7.5274652 6.5515669
81500 2000 -0 7.9485815 7.5274667 6.5515644
81600 2000 -0 7.9485809 7.5274664 6.5515643
81700 2000 -0 7.94858 7.5274644 6.5515662
81800 2000 -0 7.9485788 7.5274606 6.55157
81900 2000 -0 7.9485776 7.527455 6.5515762
82000 2000 -0 7.9485765 7.5274475 6.5515851
82100 2000 -0 7.9485759 7.527438 6.5515969
82200 2000 -0 7.9485764 7.5274264 6.5516123
82300 2000 -0 7.9485786 7.5274127 6.5516316
82400 2000 -0 7.9485831 7.5273971 6.551655
82500 2000 -0 7.9485904 7.52738 6.5516822
82600 2000 -0 7.948601 7.5273621 6.5517124
82700 2000 -0 7.9486149 7.5273443 6.5517438
82800 2000 -0 7.9486316 7.5273279 6.5517741
82900 2000 -0 7.9486501 7.527314 6.5518008
83000 2000 -0 7.948669 7.5273036 6.5518216
83100 2000 -0 7.9486871 7.5272973 6.5518351
83200 2000 -0 7.9487031 7.527295 6.5518411
83300 2000 -0 7.9487163 7.5272965 6.5518404
83400 2000 -0 7.9487263 7.5273009 6.5518346
83500 2000 -0 7.9487334 7.5273073 6.5518255
83600 2000 -0 7.9487379 7.5273145 6.5518149
83700 2000 -0 7.9487402 7.5273219 6.5518041
83800 2000 -0 7.9487411 7.5273286 6.5517942
83900 2000 -0 7.948741 7.5273342 6.551786
84000 2000 -0 7.9487402 7.5273383 6.5517797
84100 2000 -0 7.9487392 7.5273407 6.5517757
84200 2000 -0 7.9487383 7.5273413 6.5517743
84300 2000 -0 7.9487374 7.5273402 6.5517756
84400 2000 -0 7.9487366 7.5273371 6.5517789
84500 2000 -0 7.9487359 7.5273321 6.5517843
84600 2000 -0 7.9487351 7.5273255 6.5517925
84700 2000 -0 7.948734 7.5273173 6.5518029
84800 2000 -0 7.948732 7.5273078 6.5518148
84900 2000 -0 7.9487288 7.5272974 6.5518282
85000 2000 -0 7.9487239 7.5272869 6.5518422
85100 2000 -0 7.9487166 7.5272769 6.5518552
85200 2000 -0 7.9487066 7.5272684 6.5518659
85300 2000 -0 7.9486935 7.5272625 6.5518726
85400 2000 -0 7.9486774 7.52726 6.5518732
85500 2000 -0 7.9486588 7.5272615 6.5518665
85600 2000 -0 7.9486387 7.5272673 6.5518525
85700 2000 -0 7.9486184 7.5272769 6.5518316
85800 2000 -0 7.9485993 7.5272895 6.5518058
85900 2000 -0 7.9485825 7.527304 6.5517777
86000 2000 -0 7.9485687 7.5273192 6.5517496
86100 2000 -0 7.9485582 7.5273338 6.5517237
86200 2000 -0 7.9485508 7.5273473 6.5517012
86300 2000 -0 7.9485459 7.5273589 6.5516828
86400 2000 -0 7.948543 7.5273683 6.5516683
86500 2000 -0 7.9485415 7.5273756 6.5516577
86600 2000 -0 7.9485407 7.5273808 6.5516504
86700 2000 -0 7.9485402 7.527384 6.5516458
86800 2000 -0 7.9485398 7.5273853 6.5516437
86900 2000 -0 7.9485391 7.5273848 6.5516437
87000 2000 -0 7.9485382 7.5273826 6.5516457
87100 2000 -0 7.948537 7.5273787 6.5516498
87200 2000 -0 7.9485358 7.527373 6.5516562
87300 2000 -0 7.9485347 7.5273654 6.5516652
87400 2000 -0 7.9485342 7.5273557 6.5516772
87500 2000 -0 7.9485348 7.527344 6.5516928
87600 2000 -0 7.9485371 7.5273302 6.5517124
87700 2000 -0 7.9485417 7.5273145 6.551736
87800 2000 -0 7.9485492 7.5272974 6.5517634
87900 2000 -0 7.9485605 7.5272797 6.5517928
88000 2000 -0 7.9485752 7.5272622 6.5518233
88100 2000 -0 7.9485926 7.5272462 6.5518526
88200 2000 -0 7.9486117 7.5272327 6.5518779
88300 2000 -0 7.9486313 7.5272227 6.5518973
88400 2000 -0 7.9486498 7.5272169 6.5519096
88500 2000 -0 7.9486663 7.5272151 6.5519142
88600 2000 -0 7.9486799 7.5272169 6.5519123
88700 2000 -0 7.9486904 7.5272216 6.5519055
88800 2000 -0 7.9486979 7.5272282 6.5518954
88900 2000 -0 7.9487028 7.5272357 6.5518839
89000 2000 -0 7.9487057 7.5272433 6.5518724
89100 2000 -0 7.9487072 7.5272501 6.5518617
89200 2000 -0 7.9487076 7.5272558 6.5518526
89300 2000 -0 7.9487074 7.5272601 6.5518456
89400 2000 -0 7.9487071 7.5272626 6.5518409
89500 2000 -0 7.9487067 7.5272635 6.5518386
89600 2000 -0 7.9487065 7.5272625 6.5518391
89700 2000 -0 7.9487063 7.5272596 6.5518416
89800 2000 -0 7.9487063 7.5272548 6.5518462
89900 2000 -0 7.9487061 7.5272484 6.5518535
90000 2000 -0 7.9487056 7.5272404 6.551863
90100 2000 -0 7.9487043 7.5272311 6.551874
90200 2000 -0 7.9487018 7.527221 6.5518866
90300 2000 -0 7.9486975 7.5272106 6.5518997
90400 2000 -0 7.948691 7.5272008 6.5519118
90500 2000 -0 7.9486816 7.5271925 6.5519217
90600 2000 -0 7.9486692 7.5271867 6.5519276
90700 2000 -0 7.9486538 7.5271843 6.5519275
90800 2000 -0 7.948636 7.527186 6.5519202
90900 2000 -0 7.9486166 7.5271918 6.5519055
91000 2000 -0 7.948597 7.5272016 6.551884
91100 2000 -0 7.9485784 7.5272143 6.5518575
91200 2000 -0 7.9485622 7.5272289 6.5518287
91300 2000 -0 7.948549 7.5272442 6.5517999
91400 2000 -0 7.9485391 7.5272591 6.5517731
91500 2000 -0 7.9485322 7.5272727 6.5517498
91600 2000 -0 7.9485279 7.5272845 6.5517305
91700 2000 -0 7.9485256 7.5272942 6.5517151
91800 2000 -0 7.9485247 7.5273018 6.5517036
91900 2000 -0 7.9485245 7.5273072 6.5516953
92000 2000 -0 7.9485247 7.5273107 6.5516898
92100 2000 -0 7.9485248 7.5273122 6.5516867
92200 2000 -0 7.9485251 7.5273121 6.5516858
92300 2000 -0 7.9485248 7.5273103 6.5516869
92400 2000 -0 7.948524 7.5273066 6.5516899
92500 2000 -0 7.9485234 7.5273012 6.5516952
92600 2000 -0 7.9485229 7.527294 6.5517031
92700 2000 -0 7.9485229 7.5272848 6.5517139
92800 2000 -0 7.948524 7.5272735 6.5517283
92900 2000 -0 7.9485267 7.5272601 6.5517465
93000 2000 -0 7.9485317 7.5272448 6.5517688
93100 2000 -0 7.9485395 7.527228 6.5517949
93200 2000 -0 7.9485506 7.5272104 6.5518239
93300 2000 -0 7.9485649 7.527193 6.5518542
93400 2000 -0 7.9485821 7.5271768 6.5518835
93500 2000 -0 7.948601 7.527163 6.5519093
93600 2000 -0 7.9486206 7.5271527 6.5519294
93700 2000 -0 7.9486392 7.5271464 6.5519423
93800 2000 -0 7.9486559 7.5271442 6.5519477
93900 2000 -0 7.9486698 7.5271457 6.5519465
94000 2000 -0 7.9486807 7.5271502 6.55194
94100 2000 -0 7.9486885 7.5271566 6.5519303
94200 2000 -0 7.9486937 7.527164 6.5519188
94300 2000 -0 7.9486968 7.5271716 6.5519072
94400 2000 -0 7.9486984 7.5271785 6.5518964
94500 2000 -0 7.948699 7.5271843 6.5518871
94600 2000 -0 7.948699 7.5271887 6.5518798
94700 2000 -0 7.9486987 7.5271915 6.5518747
94800 2000 -0 7.9486984 7.5271925 6.5518721
94900 2000 -0 7.9486982 7.5271918 6.5518722
95000 2000 -0 7.9486982 7.5271891 6.5518743
95100 2000 -0 7.9486982 7.5271846 6.5518785
95200 2000 -0 7.948698 7.5271783 6.5518855
95300 2000 -0 7.9486978 7.5271706 6.5518946
95400 2000 -0 7.9486968 7.5271614 6.5519053
95500 2000 -0 7.9486946 7.5271514 6.5519176
95600 2000 -0 7.9486908 7.527141 6.5519306
95700 2000 -0 7.9486848 7.527131 6.551943
95800 2000 -0 7.948676 7.5271224 6.5519533
95900 2000 -0 7.9486643 7.5271161 6.55196
96000 2000 -0 7.9486496 7.527113 6.5519611
96100 2000 -0 7.9486322 7.5271138 6.5519551
96200 2000 -0 7.9486132 7.5271189 6.5519417
96300 2000 -0 7.9485937 7.5271279 6.5519214
96400 2000 -0 7.948575 7.5271401 6.5518957
96500 2000 -0 7.9485584 7.5271543 6.5518672
96600 2000 -0 7.9485447 7.5271695 6.5518384
96700 2000 -0 7.9485343 7.5271845 6.5518111
96800 2000 -0 7.948527 7.5271983 6.5517871
96900 2000 -0 7.9485224 7.5272105 6.5517671
97000 2000 -0 7.9485199 7.5272206 6.551751
97100 2000 -0 7.9485188 7.5272285 6.5517387
97200 2000 -0 7.9485186 7.5272343 6.5517298
97300 2000 -0 7.9485188 7.5272381 6.5517238
97400 2000 -0 7.9485191 7.52724 6.5517202
97500 2000 -0 7.9485192 7.5272402 6.5517188
97600 2000 -0 7.9485191 7.5272387 6.5517194
97700 2000 -0 7.9485187 7.5272354 6.551722
97800 2000 -0 7.9485181 7.5272305 6.5517267
97900 2000 -0 7.9485176 7.5272237 6.5517339
98000 2000 -0 7.9485176 7.5272149 6.5517439
98100 2000 -0 7.9485184 7.5272041 6.5517572
98200 2000 -0 7.9485207 7.5271913 6.5517744
98300 2000 -0 7.9485251 7.5271764 6.5517956
98400 2000 -0 7.9485322 7.52716 6.5518207
98500 2000 -0 7.9485424 7.5271426 6.5518489
98600 2000 -0 7.948556 7.527125 6.5518789
98700 2000 -0 7.9485724 7.5271084 6.5519086
98800 2000 -0 7.948591 7.5270939 6.5519354
98900 2000 -0 7.9486105 7.5270826 6.551957
99000 2000 -0 7.9486296 7.5270752 6.5519718
99100 2000 -0 7.9486469 7.5270719 6.5519792
99200 2000 -0 7.9486615 7.5270725 6.5519795
99300 2000 -0 7.9486732 7.5270763 6.5519743
99400 2000 -0 7.9486818 7.5270822 6.5519652
99500 2000 -0 7.9486877 7.5270895 6.551954
99600 2000 -0 7.9486913 7.527097 6.5519424
99700 2000 -0 7.9486933 7.5271042 6.5519313
99800 2000 -0 7.9486941 7.5271104 6.5519215
99900 2000 -0 7.9486942 7.5271152 6.5519136
100000 2000 -0 7.9486939 7.5271185 6.5519079
Loop time of 92.4328 on 1 procs for 100000 steps with 2000 atoms
Performance: 93473.341 tau/day, 1081.867 timesteps/s, 2.164 Matom-step/s
92.5% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 64.102 | 64.102 | 64.102 | 0.0 | 69.35
Neigh | 2.666 | 2.666 | 2.666 | 0.0 | 2.88
Comm | 1.205 | 1.205 | 1.205 | 0.0 | 1.30
Output | 6.6387 | 6.6387 | 6.6387 | 0.0 | 7.18
Modify | 16.945 | 16.945 | 16.945 | 0.0 | 18.33
Other | | 0.8768 | | | 0.95
Nlocal: 2000 ave 2000 max 2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 494 ave 494 max 494 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 9635 ave 9635 max 9635 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 9635
Ave neighs/atom = 4.8175
Neighbor list builds = 3285
Dangerous builds = 0
Total wall time: 0:01:32