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Adding new example

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This commit is contained in:
Joel Clemmer
2021-02-06 12:57:19 -07:00
parent c4ef85ba22
commit 65a82bb585
4 changed files with 20450 additions and 20250 deletions
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40000
examples/multi/data.powerlaw
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8
examples/multi/in.powerlaw
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@ -15,19 +15,19 @@ comm_modify mode multi vel yes reduce/multi
# granular potential # granular potential
pair_style granular pair_style granular
pair_coeff * * hooke 1.0 0.5 tangential linear_history 1.0 0.5 0.1 damping mass_velocity pair_coeff * * hooke 20.0 0.5 tangential linear_history 1.0 0.5 0.1 damping mass_velocity
# fixes # fixes
fix 1 all nve/sphere fix 1 all nve/sphere
fix 2 all enforce2d fix 2 all enforce2d
fix 3 all deform 1 xy erate 2e-4 fix 3 all deform 1 xy erate 1e-4
# dump 1 all custom 2000 dump.granular id x y z radius # dump 1 all custom 20000 dump.granular id x y z radius
thermo_style custom step temp epair etotal press vol pxy thermo_style custom step temp epair etotal press vol pxy
thermo 1000 thermo 1000
timestep 0.005 timestep 0.005
run 100000 run 200000

344
examples/multi/log.30Nov20.powerlaw.intel.1
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@ -1,12 +1,12 @@
LAMMPS (24 Dec 2020) LAMMPS (24 Dec 2020)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:97) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:97)
using 1 OpenMP thread(s) per MPI task using 1 OpenMP thread(s) per MPI task
# Big colloid particles and small LJ particles # Shear power-law distributed granular particles
units lj units lj
atom_style sphere atom_style sphere
dimension 2 dimension 2
read_data data read_data data.powerlaw
Reading data file ... Reading data file ...
triclinic box = (9.9514336 9.9514336 0.0000000) to (331.81396 331.81396 1.0000000) with tilt (0.0000000 0.0000000 0.0000000) triclinic box = (9.9514336 9.9514336 0.0000000) to (331.81396 331.81396 1.0000000) with tilt (0.0000000 0.0000000 0.0000000)
1 by 1 by 1 MPI processor grid 1 by 1 by 1 MPI processor grid
@ -28,22 +28,22 @@ comm_modify mode multi vel yes reduce/multi
# granular potential # granular potential
pair_style granular pair_style granular
pair_coeff * * hooke 1.0 0.5 tangential linear_history 1.0 0.5 0.1 damping mass_velocity pair_coeff * * hooke 20.0 0.5 tangential linear_history 1.0 0.5 0.1 damping mass_velocity
# fixes # fixes
fix 1 all nve/sphere fix 1 all nve/sphere
fix 2 all enforce2d fix 2 all enforce2d
fix 3 all deform 1 xy erate 2e-4 fix 3 all deform 1 xy erate 1e-4
# dump 1 all custom 2000 dump.granular id x y z radius # dump 1 all custom 20000 dump.granular id x y z radius
thermo_style custom step temp epair etotal press vol pxy thermo_style custom step temp epair etotal press vol pxy
thermo 1000 thermo 1000
timestep 0.005 timestep 0.005
run 100000 run 200000
Neighbor list info ... Neighbor list info ...
update every 1 steps, delay 0 steps, check yes update every 1 steps, delay 0 steps, check yes
max neighbors/atom: 2000, page size: 100000 max neighbors/atom: 2000, page size: 100000
@ -56,136 +56,236 @@ Neighbor list info ...
pair build: half/size/multi/newton/tri pair build: half/size/multi/newton/tri
stencil: half/multi/2d/tri stencil: half/multi/2d/tri
bin: multi bin: multi
Per MPI rank memory allocation (min/avg/max) = 14.76 | 14.76 | 14.76 Mbytes Per MPI rank memory allocation (min/avg/max) = 14.77 | 14.77 | 14.77 Mbytes
Step Temp E_pair TotEng Press Volume Pxy Step Temp E_pair TotEng Press Volume Pxy
0 0.00014649953 0 0.00014648488 0.027643657 103595.49 -0.0014952693 0 4.9204851e-05 0 4.9199931e-05 0.61204991 103595.49 -0.00083309917
1000 0.00014726802 0 0.00014725329 0.029388139 103595.49 -0.00172238 1000 0.00038076464 0 0.00038072657 0.58694623 103595.49 -0.0066712806
2000 0.00014880425 0 0.00014878937 0.029608995 103595.49 -0.0023614491 2000 0.00027986478 0 0.00027983679 0.5845274 103595.49 -0.008880933
3000 0.00015154766 0 0.0001515325 0.029668747 103595.49 -0.0029243775 3000 0.00022105227 0 0.00022103017 0.58295464 103595.49 -0.011327442
4000 0.00015547813 0 0.00015546258 0.029662951 103595.49 -0.0034433688 4000 0.00020888366 0 0.00020886277 0.5826542 103595.49 -0.014147424
5000 0.00015919808 0 0.00015918216 0.02988062 103595.49 -0.0037443111 5000 0.00019912663 0 0.00019910672 0.58175837 103595.49 -0.015685634
6000 0.00016272902 0 0.00016271275 0.029776943 103595.49 -0.0042445445 6000 0.0001989441 0 0.00019892421 0.58170841 103595.49 -0.017379973
7000 0.00016666322 0 0.00016664655 0.029919286 103595.49 -0.0045231987 7000 0.00019307783 0 0.00019305852 0.58133913 103595.49 -0.019556709
8000 0.00017137531 0 0.00017135817 0.029849078 103595.49 -0.0049023441 8000 0.00018132444 0 0.00018130631 0.58134077 103595.49 -0.021609399
9000 0.00017774522 0 0.00017772744 0.029925275 103595.49 -0.0051437804 9000 0.00017909088 0 0.00017907297 0.58117179 103595.49 -0.023603514
10000 0.00018294048 0 0.00018292219 0.030166956 103595.49 -0.0052769381 10000 0.00018391928 0 0.00018390089 0.58070675 103595.49 -0.026026784
11000 0.00019030719 0 0.00019028816 0.02988594 103595.49 -0.0058095975 11000 0.00018985439 0 0.00018983541 0.58006086 103595.49 -0.028574238
12000 0.00019806568 0 0.00019804587 0.029852302 103595.49 -0.0060925449 12000 0.00018903569 0 0.00018901678 0.5794232 103595.49 -0.031151884
13000 0.00020800749 0 0.00020798669 0.029927995 103595.49 -0.0062667347 13000 0.00019070382 0 0.00019068475 0.57890243 103595.49 -0.033469404
14000 0.00021854888 0 0.00021852703 0.029984135 103595.49 -0.0064949797 14000 0.00019371625 0 0.00019369688 0.5787389 103595.49 -0.035646526
15000 0.00022975749 0 0.00022973451 0.030063358 103595.49 -0.0065788835 15000 0.00019833475 0 0.00019831492 0.57883166 103595.49 -0.037709788
16000 0.00024074076 0 0.00024071668 0.03006058 103595.49 -0.006757928 16000 0.0002011729 0 0.00020115278 0.57875606 103595.49 -0.039452453
17000 0.00025363768 0 0.00025361232 0.030138053 103595.49 -0.0068153904 17000 0.00020285197 0 0.00020283169 0.5786311 103595.49 -0.040960671
18000 0.00026618156 0 0.00026615494 0.030621109 103595.49 -0.0067026865 18000 0.00020319174 0 0.00020317142 0.57842387 103595.49 -0.042257072
19000 0.00028000661 0 0.00027997861 0.030520699 103595.49 -0.0067126187 19000 0.00020290253 0 0.00020288224 0.57795042 103595.49 -0.043364149
20000 0.00029472369 0 0.00029469422 0.030182866 103595.49 -0.0071232374 20000 0.00020509848 0 0.00020507797 0.5771478 103595.49 -0.044392259
21000 0.00031065822 0 0.00031062716 0.030417926 103595.49 -0.0070815254 21000 0.00021803258 0 0.00021801078 0.57569003 103595.49 -0.044749043
22000 0.00032789694 0 0.00032786415 0.030434044 103595.49 -0.007044194 22000 0.00020751217 0 0.00020749141 0.57477071 103595.49 -0.045719593
23000 0.00034491703 0 0.00034488253 0.031195478 103595.49 -0.006895101 23000 0.00022053275 0 0.0002205107 0.57409228 103595.49 -0.047332146
24000 0.00036262497 0 0.00036258871 0.030348688 103595.49 -0.0073503964 24000 0.00022689646 0 0.00022687377 0.57325004 103595.49 -0.04871759
25000 0.00038232332 0 0.00038228509 0.030429549 103595.49 -0.0073043833 25000 0.00025224804 0 0.00025222282 0.57283712 103595.49 -0.050254871
26000 0.00040292952 0 0.00040288922 0.030277517 103595.49 -0.0074475354 26000 0.00025343198 0 0.00025340664 0.57238659 103595.49 -0.051604284
27000 0.00042260162 0 0.00042255936 0.030270875 103595.49 -0.0074037511 27000 0.00026689801 0 0.00026687132 0.57221042 103595.49 -0.052915257
28000 0.00044296255 0 0.00044291826 0.030568983 103595.49 -0.0070827585 28000 0.00027867954 0 0.00027865167 0.57197974 103595.49 -0.053832129
29000 0.00046164594 0 0.00046159978 0.030392129 103595.49 -0.0070495682 29000 0.00028697929 0 0.00028695059 0.57177264 103595.49 -0.054693121
30000 0.00048018966 0 0.00048014164 0.03027035 103595.49 -0.0071339757 30000 0.00028857612 0 0.00028854727 0.57145453 103595.49 -0.055559611
31000 0.00049904958 0 0.00049899968 0.030278024 103595.49 -0.0070690708 31000 0.00029228405 0 0.00029225482 0.5711044 103595.49 -0.056492699
32000 0.00051586592 0 0.00051581433 0.030105498 103595.49 -0.007134143 32000 0.00029648627 0 0.00029645663 0.57060211 103595.49 -0.05729896
33000 0.000533257 0 0.00053320367 0.029788452 103595.49 -0.0072245811 33000 0.00030524162 0 0.00030521109 0.57002519 103595.49 -0.058201322
34000 0.00054849405 0 0.0005484392 0.029873916 103595.49 -0.0069597013 34000 0.00031725644 0 0.00031722472 0.56920654 103595.49 -0.059128438
35000 0.00056356221 0 0.00056350586 0.029706011 103595.49 -0.00704387 35000 0.00032273791 0 0.00032270564 0.56844677 103595.49 -0.060009671
36000 0.00057701153 0 0.00057695383 0.029584377 103595.49 -0.006959137 36000 0.00033013013 0 0.00033009712 0.56795943 103595.49 -0.061074282
37000 0.00058975804 0 0.00058969906 0.029510998 103595.49 -0.0069205813 37000 0.00033942153 0 0.00033938759 0.56749208 103595.49 -0.062058531
38000 0.00060106815 0 0.00060100804 0.029866588 103595.49 -0.006493655 38000 0.00035141528 0 0.00035138014 0.56682741 103595.49 -0.062953956
39000 0.00061178223 0 0.00061172105 0.0294686 103595.49 -0.0066809721 39000 0.00036126777 0 0.00036123164 0.56655193 103595.49 -0.063757684
40000 0.00062087616 0 0.00062081407 0.029305512 103595.49 -0.0067040127 40000 0.00037765934 0 0.00037762157 0.5661991 103595.49 -0.064535541
41000 0.00062938061 0 0.00062931767 0.029313523 103595.49 -0.0065943738 41000 0.00040834365 0 0.00040830281 0.56554085 103595.49 -0.064688281
42000 0.0006366437 0 0.00063658004 0.029294719 103595.49 -0.0065039414 42000 0.00042857233 0 0.00042852948 0.56474014 103595.49 -0.065262664
43000 0.00064403805 0 0.00064397364 0.029169615 103595.49 -0.0065453715 43000 0.00042692021 0 0.00042687752 0.56362013 103595.49 -0.065276794
44000 0.00064990286 0 0.00064983787 0.029173689 103595.49 -0.0064757302 44000 0.00040298912 0 0.00040294882 0.5631005 103595.49 -0.065626396
45000 0.00065485285 0 0.00065478736 0.02911295 103595.49 -0.0065336599 45000 0.00040947381 0 0.00040943286 0.56291946 103595.49 -0.066167734
46000 0.00065918851 0 0.00065912259 0.029664657 103595.49 -0.0060618092 46000 0.00040202686 0 0.00040198666 0.56273846 103595.49 -0.066543782
47000 0.00066143867 0 0.00066137253 0.029672077 103595.49 -0.0061605571 47000 0.00038914356 0 0.00038910465 0.56265937 103595.49 -0.067359923
48000 0.00066260774 0 0.00066254148 0.029356515 103595.49 -0.0063944326 48000 0.00038429737 0 0.00038425894 0.56274908 103595.49 -0.068231096
49000 0.0006641111 0 0.00066404469 0.029771162 103595.49 -0.0061440485 49000 0.00036912968 0 0.00036909277 0.56261623 103595.49 -0.068791569
50000 0.00066562386 0 0.0006655573 0.02944773 103595.49 -0.0063912951 50000 0.00035203094 0 0.00035199574 0.56257856 103595.49 -0.069298217
51000 0.00066744319 0 0.00066737645 0.029507067 103595.49 -0.00636767 51000 0.00034403223 0 0.00034399783 0.56236537 103595.49 -0.070273225
52000 0.00066927675 0 0.00066920982 0.029773443 103595.49 -0.0062192673 52000 0.00034132431 0 0.00034129018 0.56220555 103595.49 -0.071740344
53000 0.00066999455 0 0.00066992755 0.029626747 103595.49 -0.0062819185 53000 0.000335692 0 0.00033565843 0.56194913 103595.49 -0.072834415
54000 0.00067204697 0 0.00067197976 0.029608834 103595.49 -0.0063047897 54000 0.00033048196 0 0.00033044891 0.56231491 103595.49 -0.073996938
55000 0.00067089926 0 0.00067083217 0.029778336 103595.49 -0.006198876 55000 0.00032751145 0 0.00032747869 0.56225025 103595.49 -0.07506664
56000 0.00067044673 0 0.00067037969 0.029707087 103595.49 -0.0062920606 56000 0.00032696951 0 0.00032693682 0.56285506 103595.49 -0.076445354
57000 0.00066987451 0 0.00066980752 0.029751879 103595.49 -0.0062887511 57000 0.00033158698 0 0.00033155382 0.56354729 103595.49 -0.077682996
58000 0.00066781462 0 0.00066774784 0.029673932 103595.49 -0.0063301658 58000 0.00034300009 0 0.00034296579 0.56416964 103595.49 -0.078836604
59000 0.00065347402 0 0.00065340867 0.029540521 103595.49 -0.0064527808 59000 0.00034340257 0 0.00034336823 0.56490867 103595.49 -0.079658197
60000 0.00065304518 0 0.00065297988 0.029801357 103595.49 -0.0062633754 60000 0.00034736137 0 0.00034732663 0.56519398 103595.49 -0.080570223
61000 0.00065183192 0 0.00065176673 0.029786145 103595.49 -0.0063152956 61000 0.00034984523 0 0.00034981025 0.5651693 103595.49 -0.081115325
62000 0.00065242331 0 0.00065235807 0.030461931 103595.49 -0.0060591261 62000 0.00034995431 0 0.00034991932 0.56534549 103595.49 -0.081486038
63000 0.00065491938 0 0.00065485389 0.029715839 103595.49 -0.0065344894 63000 0.00033854269 0 0.00033850883 0.56582558 103595.49 -0.081892374
64000 0.00065769719 0 0.00065763142 0.02977148 103595.49 -0.0065105553 64000 0.00032621515 0 0.00032618253 0.5658388 103595.49 -0.082786608
65000 0.00066125407 0 0.00066118795 0.029534462 103595.49 -0.0066901883 65000 0.00031773942 0 0.00031770764 0.56576287 103595.49 -0.083706189
66000 0.00066433913 0 0.0006642727 0.029949304 103595.49 -0.0064367129 66000 0.00031772736 0 0.00031769558 0.56548117 103595.49 -0.084236463
67000 0.00066819344 0 0.00066812662 0.029629692 103595.49 -0.0067136218 67000 0.0003148631 0 0.00031483161 0.56483795 103595.49 -0.084506082
68000 0.00067300953 0 0.00067294223 0.029793673 103595.49 -0.0065898421 68000 0.00030359752 0 0.00030356716 0.56446443 103595.49 -0.084985509
69000 0.00067875538 0 0.0006786875 0.029651968 103595.49 -0.0067198512 69000 0.00030395128 0 0.00030392088 0.56437593 103595.49 -0.085548157
70000 0.00068416104 0 0.00068409262 0.030125821 103595.49 -0.0063225262 70000 0.00032811658 0 0.00032808376 0.56372411 103595.49 -0.085304154
71000 0.00068728347 0 0.00068721475 0.02958142 103595.49 -0.0066417995 71000 0.00035494531 0 0.00035490981 0.56326137 103595.49 -0.085047806
72000 0.00068926082 0 0.00068919189 0.02976018 103595.49 -0.0063898599 72000 0.0003253841 0 0.00032535156 0.56244462 103595.49 -0.085693663
73000 0.00068953168 0 0.00068946272 0.029574927 103595.49 -0.0065193167 73000 0.00032328895 0 0.00032325662 0.5629287 103595.49 -0.086119464
74000 0.00069104787 0 0.00069097876 0.030209247 103595.49 -0.0060666707 74000 0.00032650113 0 0.00032646848 0.56306166 103595.49 -0.087182721
75000 0.00069606779 0 0.00069599818 0.029636657 103595.49 -0.006387635 75000 0.00034303222 0 0.00034299792 0.56219559 103595.49 -0.086604025
76000 0.00070399158 0 0.00070392118 0.029585803 103595.49 -0.0063291939 76000 0.00033786129 0 0.0003378275 0.56188071 103595.49 -0.086852177
77000 0.00070284473 0 0.00070277445 0.029936591 103595.49 -0.0060359763 77000 0.00033559735 0 0.00033556379 0.5619155 103595.49 -0.08689764
78000 0.00070619015 0 0.00070611953 0.029554333 103595.49 -0.0062453302 78000 0.00032579863 0 0.00032576605 0.56177059 103595.49 -0.087109469
79000 0.00070892936 0 0.00070885847 0.029853506 103595.49 -0.0060833753 79000 0.00031610815 0 0.00031607654 0.56160391 103595.49 -0.087250861
80000 0.00071125368 0 0.00071118255 0.029625268 103595.49 -0.0062046031 80000 0.00031246546 0 0.00031243422 0.56181676 103595.49 -0.087117648
81000 0.00070944317 0 0.00070937223 0.029629542 103595.49 -0.0062343125 81000 0.00029392131 0 0.00029389192 0.56205441 103595.49 -0.087601617
82000 0.00070892851 0 0.00070885762 0.029664456 103595.49 -0.006250692 82000 0.00029624453 0 0.00029621491 0.56285229 103595.49 -0.08824145
83000 0.00070946812 0 0.00070939718 0.029964177 103595.49 -0.006159583 83000 0.00030538821 0 0.00030535767 0.5627754 103595.49 -0.088318188
84000 0.00071198659 0 0.00071191539 0.029813631 103595.49 -0.0062607732 84000 0.00029587833 0 0.00029584874 0.56267246 103595.49 -0.08930338
85000 0.00071266579 0 0.00071259453 0.029645729 103595.49 -0.0064004319 85000 0.00030551128 0 0.00030548073 0.56251282 103595.49 -0.0897211
86000 0.00071461592 0 0.00071454446 0.029700002 103595.49 -0.0063398759 86000 0.00030000969 0 0.00029997969 0.56249642 103595.49 -0.089920789
87000 0.00071781454 0 0.00071774276 0.029748726 103595.49 -0.0063600357 87000 0.00030211667 0 0.00030208646 0.56256648 103595.49 -0.090315024
88000 0.00072016268 0 0.00072009067 0.029772487 103595.49 -0.0063655529 88000 0.00030524995 0 0.00030521943 0.5623007 103595.49 -0.090706456
89000 0.00072272254 0 0.00072265027 0.030006837 103595.49 -0.0063122612 89000 0.00031961257 0 0.00031958061 0.56210244 103595.49 -0.090852204
90000 0.00072122914 0 0.00072115701 0.029982109 103595.49 -0.006439831 90000 0.0003195337 0 0.00031950175 0.56207472 103595.49 -0.090879606
91000 0.00072443479 0 0.00072436235 0.029830121 103595.49 -0.0065202831 91000 0.00033860446 0 0.0003385706 0.56197196 103595.49 -0.090891252
92000 0.00072738733 0 0.00072731459 0.030194727 103595.49 -0.0062808688 92000 0.0003327551 0 0.00033272183 0.56172473 103595.49 -0.090725694
93000 0.00072899838 0 0.00072892548 0.030175295 103595.49 -0.0062914883 93000 0.00032983619 0 0.00032980321 0.5619443 103595.49 -0.090626404
94000 0.00072984304 0 0.00072977006 0.029844017 103595.49 -0.0064737335 94000 0.00034024354 0 0.00034020952 0.56150371 103595.49 -0.090769983
95000 0.00073206475 0 0.00073199154 0.029798899 103595.49 -0.0064644006 95000 0.00033201405 0 0.00033198084 0.56145998 103595.49 -0.09102312
96000 0.00073374806 0 0.00073367468 0.030226823 103595.49 -0.0061626549 96000 0.00032851608 0 0.00032848323 0.56201045 103595.49 -0.09152522
97000 0.00073388886 0 0.00073381547 0.029993629 103595.49 -0.0063710254 97000 0.0003353172 0 0.00033528367 0.56256203 103595.49 -0.092443634
98000 0.00073534207 0 0.00073526854 0.030245848 103595.49 -0.0063407392 98000 0.00033453146 0 0.00033449801 0.5632537 103595.49 -0.093069693
99000 0.00073805531 0 0.0007379815 0.030287955 103595.49 -0.0063646707 99000 0.00034432742 0 0.00034429299 0.56355465 103595.49 -0.093332298
100000 0.0007385798 0 0.00073850594 0.030172948 103595.49 -0.0064654963 100000 0.00035299312 0 0.00035295782 0.56420115 103595.49 -0.093871701
Loop time of 233.709 on 1 procs for 100000 steps with 10000 atoms 101000 0.00042149444 0 0.00042145229 0.56424332 103595.49 -0.094001873
102000 0.0004580706 0 0.0004580248 0.56378535 103595.49 -0.093786943
103000 0.00046113464 0 0.00046108853 0.56428549 103595.49 -0.093463429
104000 0.00047583409 0 0.00047578651 0.5645355 103595.49 -0.093225615
105000 0.00048367276 0 0.00048362439 0.56469488 103595.49 -0.092935582
106000 0.00046931008 0 0.00046926315 0.56464923 103595.49 -0.09282958
107000 0.00046460766 0 0.00046456119 0.56502528 103595.49 -0.093077749
108000 0.00046398187 0 0.00046393547 0.56532911 103595.49 -0.09321949
109000 0.00047530523 0 0.0004752577 0.56561281 103595.49 -0.093217991
110000 0.00048531886 0 0.00048527033 0.56549262 103595.49 -0.092956034
111000 0.00049659003 0 0.00049654038 0.56507505 103595.49 -0.092554122
112000 0.00050113619 0 0.00050108607 0.56528891 103595.49 -0.092227508
113000 0.0005138896 0 0.00051383821 0.56550655 103595.49 -0.092096556
114000 0.00052560295 0 0.00052555039 0.56567551 103595.49 -0.09181586
115000 0.00054349317 0 0.00054343882 0.56530917 103595.49 -0.090961623
116000 0.00056022902 0 0.00056017299 0.56482302 103595.49 -0.090810658
117000 0.00055876064 0 0.00055870476 0.56488791 103595.49 -0.090329656
118000 0.00056191427 0 0.00056185808 0.56461166 103595.49 -0.090161067
119000 0.0005488829 0 0.00054882801 0.56437975 103595.49 -0.090328459
120000 0.00054084712 0 0.00054079303 0.564481 103595.49 -0.090602791
121000 0.00053717105 0 0.00053711733 0.56481743 103595.49 -0.090309102
122000 0.00053834163 0 0.00053828779 0.56385259 103595.49 -0.090433254
123000 0.00053319394 0 0.00053314062 0.56335613 103595.49 -0.090723928
124000 0.00053127439 0 0.00053122127 0.5631684 103595.49 -0.091178253
125000 0.00053624623 0 0.00053619261 0.56387166 103595.49 -0.091701174
126000 0.0005253773 0 0.00052532476 0.5639006 103595.49 -0.092033098
127000 0.00052459276 0 0.0005245403 0.56361298 103595.49 -0.092219098
128000 0.00054030806 0 0.00054025403 0.56307203 103595.49 -0.092196938
129000 0.00055474894 0 0.00055469346 0.5622815 103595.49 -0.09178309
130000 0.00057391115 0 0.00057385376 0.56244981 103595.49 -0.09170211
131000 0.00058650769 0 0.00058644904 0.56195859 103595.49 -0.090649841
132000 0.00058529163 0 0.0005852331 0.56162943 103595.49 -0.090167101
133000 0.00062544817 0 0.00062538563 0.5594761 103595.49 -0.088989624
134000 0.00063457749 0 0.00063451403 0.55917757 103595.49 -0.089702278
135000 0.00065371789 0 0.00065365252 0.55885043 103595.49 -0.090030252
136000 0.00070050714 0 0.00070043709 0.55854751 103595.49 -0.08960124
137000 0.0006750775 0 0.00067501 0.55809563 103595.49 -0.090252473
138000 0.00068827043 0 0.0006882016 0.55806674 103595.49 -0.090238994
139000 0.00069748073 0 0.00069741098 0.55734587 103595.49 -0.090118549
140000 0.00071065284 0 0.00071058177 0.55711669 103595.49 -0.090336074
141000 0.00070994204 0 0.00070987104 0.55638115 103595.49 -0.089917062
142000 0.00071514386 0 0.00071507235 0.55614391 103595.49 -0.090392071
143000 0.00071334667 0 0.00071327533 0.55640687 103595.49 -0.091256718
144000 0.00069553102 0 0.00069546147 0.55705702 103595.49 -0.091761396
145000 0.00068849503 0 0.00068842618 0.55692035 103595.49 -0.091895738
146000 0.00068407816 0 0.00068400975 0.55660026 103595.49 -0.092191588
147000 0.00069521557 0 0.00069514605 0.55556456 103595.49 -0.092354739
148000 0.00068349281 0 0.00068342446 0.55537498 103595.49 -0.092914636
149000 0.00067959644 0 0.00067952848 0.55537695 103595.49 -0.093738463
150000 0.00067100566 0 0.00067093856 0.55544851 103595.49 -0.094104003
151000 0.00068044722 0 0.00068037917 0.5554655 103595.49 -0.094943239
152000 0.00068109012 0 0.00068102201 0.55585405 103595.49 -0.095355111
153000 0.00068666181 0 0.00068659314 0.55501583 103595.49 -0.095234652
154000 0.00068283406 0 0.00068276578 0.55644996 103595.49 -0.095902623
155000 0.00069836346 0 0.00069829363 0.55747472 103595.49 -0.096978444
156000 0.00072807264 0 0.00072799984 0.55807332 103595.49 -0.097415305
157000 0.00077300609 0 0.00077292879 0.55871196 103595.49 -0.098034508
158000 0.00081631408 0 0.00081623245 0.558479 103595.49 -0.09825722
159000 0.00079291984 0 0.00079284054 0.55784788 103595.49 -0.097758094
160000 0.0008203256 0 0.00082024357 0.55700259 103595.49 -0.097519328
161000 0.00081471235 0 0.00081463087 0.556622 103595.49 -0.097787992
162000 0.00080692462 0 0.00080684393 0.5566795 103595.49 -0.097210216
163000 0.00081149678 0 0.00081141564 0.55596697 103595.49 -0.097517476
164000 0.00081577795 0 0.00081569637 0.55569684 103595.49 -0.096908869
165000 0.00084604988 0 0.00084596528 0.55492052 103595.49 -0.095481627
166000 0.00082198923 0 0.00082190703 0.5552628 103595.49 -0.09477531
167000 0.00084903108 0 0.00084894618 0.55477991 103595.49 -0.094758799
168000 0.00081613582 0 0.00081605421 0.55508416 103595.49 -0.094804088
169000 0.00083341061 0 0.00083332727 0.55476794 103595.49 -0.094519882
170000 0.00077835092 0 0.00077827308 0.55516626 103595.49 -0.094843673
171000 0.00074843733 0 0.00074836249 0.55417469 103595.49 -0.094731356
172000 0.0007425125 0 0.00074243825 0.55431854 103595.49 -0.095174333
173000 0.00074144093 0 0.00074136678 0.55429464 103595.49 -0.094982598
174000 0.00072375323 0 0.00072368086 0.55421045 103595.49 -0.09489531
175000 0.0007270779 0 0.00072700519 0.55413607 103595.49 -0.094197685
176000 0.00071114682 0 0.00071107571 0.55342226 103595.49 -0.093083865
177000 0.00069325125 0 0.00069318193 0.55441386 103595.49 -0.093289572
178000 0.00067686202 0 0.00067679434 0.55504892 103595.49 -0.093512587
179000 0.00068326039 0 0.00068319206 0.55519365 103595.49 -0.093974329
180000 0.00075070045 0 0.00075062538 0.55415541 103595.49 -0.09327459
181000 0.00077670344 0 0.00077662577 0.55328725 103595.49 -0.092373689
182000 0.00077422781 0 0.00077415038 0.553131 103595.49 -0.092353979
183000 0.00080250542 0 0.00080242517 0.5519122 103595.49 -0.091897169
184000 0.00081235214 0 0.00081227091 0.55172769 103595.49 -0.091906209
185000 0.00078879443 0 0.00078871555 0.55145488 103595.49 -0.091198506
186000 0.00078497746 0 0.00078489896 0.55202944 103595.49 -0.091674987
187000 0.00079483049 0 0.000794751 0.55278073 103595.49 -0.092508295
188000 0.00079056756 0 0.0007904885 0.55362903 103595.49 -0.092801369
189000 0.00079162262 0 0.00079154346 0.55429061 103595.49 -0.092964781
190000 0.00078121133 0 0.00078113321 0.55386716 103595.49 -0.092689851
191000 0.00076574893 0 0.00076567235 0.5546533 103595.49 -0.093414672
192000 0.00076215201 0 0.0007620758 0.55503049 103595.49 -0.093986391
193000 0.00075652635 0 0.0007564507 0.55477696 103595.49 -0.094417347
194000 0.00075725781 0 0.00075718208 0.55457687 103595.49 -0.094241721
195000 0.0007434693 0 0.00074339496 0.55471575 103595.49 -0.094102015
196000 0.00073792493 0 0.00073785114 0.55463671 103595.49 -0.094452279
197000 0.00074673445 0 0.00074665978 0.55459327 103595.49 -0.09463863
198000 0.00072734835 0 0.00072727561 0.55514628 103595.49 -0.094622434
199000 0.00071846919 0 0.00071839734 0.55501969 103595.49 -0.094414887
200000 0.00072384651 0 0.00072377412 0.55533335 103595.49 -0.094159469
Loop time of 443.321 on 1 procs for 200000 steps with 10000 atoms
Performance: 184845.371 tau/day, 427.883 timesteps/s Performance: 194892.839 tau/day, 451.141 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads 100.0% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 193.18 | 193.18 | 193.18 | 0.0 | 82.66 Pair | 362.28 | 362.28 | 362.28 | 0.0 | 81.72
Neigh | 1.1138 | 1.1138 | 1.1138 | 0.0 | 0.48 Neigh | 1.737 | 1.737 | 1.737 | 0.0 | 0.39
Comm | 2.3652 | 2.3652 | 2.3652 | 0.0 | 1.01 Comm | 5.0082 | 5.0082 | 5.0082 | 0.0 | 1.13
Output | 0.0092981 | 0.0092981 | 0.0092981 | 0.0 | 0.00 Output | 0.01774 | 0.01774 | 0.01774 | 0.0 | 0.00
Modify | 32.407 | 32.407 | 32.407 | 0.0 | 13.87 Modify | 64.992 | 64.992 | 64.992 | 0.0 | 14.66
Other | | 4.628 | | | 1.98 Other | | 9.286 | | | 2.09
Nlocal: 10000.0 ave 10000 max 10000 min Nlocal: 10000.0 ave 10000 max 10000 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 446.000 ave 446 max 446 min Nghost: 487.000 ave 487 max 487 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 34464.0 ave 34464 max 34464 min Neighs: 34427.0 ave 34427 max 34427 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 34464 Total # of neighbors = 34427
Ave neighs/atom = 3.4464000 Ave neighs/atom = 3.4427000
Neighbor list builds = 153 Neighbor list builds = 244
Dangerous builds = 0 Dangerous builds = 0
Please see the log.cite file for references relevant to this simulation Please see the log.cite file for references relevant to this simulation
Total wall time: 0:03:53 Total wall time: 0:07:23

348
examples/multi/log.30Nov20.powerlaw.intel.4
View File

@ -1,12 +1,12 @@
LAMMPS (24 Dec 2020) LAMMPS (24 Dec 2020)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:97) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:97)
using 1 OpenMP thread(s) per MPI task using 1 OpenMP thread(s) per MPI task
# Big colloid particles and small LJ particles # Shear power-law distributed granular particles
units lj units lj
atom_style sphere atom_style sphere
dimension 2 dimension 2
read_data data read_data data.powerlaw
Reading data file ... Reading data file ...
triclinic box = (9.9514336 9.9514336 0.0000000) to (331.81396 331.81396 1.0000000) with tilt (0.0000000 0.0000000 0.0000000) triclinic box = (9.9514336 9.9514336 0.0000000) to (331.81396 331.81396 1.0000000) with tilt (0.0000000 0.0000000 0.0000000)
2 by 2 by 1 MPI processor grid 2 by 2 by 1 MPI processor grid
@ -14,7 +14,7 @@ Reading data file ...
10000 atoms 10000 atoms
reading velocities ... reading velocities ...
10000 velocities 10000 velocities
read_data CPU = 0.024 seconds read_data CPU = 0.114 seconds
change_box all triclinic change_box all triclinic
Changing box ... Changing box ...
triclinic box = (9.9514336 9.9514336 0.0000000) to (331.81396 331.81396 1.0000000) with tilt (0.0000000 0.0000000 0.0000000) triclinic box = (9.9514336 9.9514336 0.0000000) to (331.81396 331.81396 1.0000000) with tilt (0.0000000 0.0000000 0.0000000)
@ -28,22 +28,22 @@ comm_modify mode multi vel yes reduce/multi
# granular potential # granular potential
pair_style granular pair_style granular
pair_coeff * * hooke 1.0 0.5 tangential linear_history 1.0 0.5 0.1 damping mass_velocity pair_coeff * * hooke 20.0 0.5 tangential linear_history 1.0 0.5 0.1 damping mass_velocity
# fixes # fixes
fix 1 all nve/sphere fix 1 all nve/sphere
fix 2 all enforce2d fix 2 all enforce2d
fix 3 all deform 1 xy erate 2e-4 fix 3 all deform 1 xy erate 1e-4
# dump 1 all custom 2000 dump.granular id x y z radius # dump 1 all custom 20000 dump.granular id x y z radius
thermo_style custom step temp epair etotal press vol pxy thermo_style custom step temp epair etotal press vol pxy
thermo 1000 thermo 1000
timestep 0.005 timestep 0.005
run 100000 run 200000
Neighbor list info ... Neighbor list info ...
update every 1 steps, delay 0 steps, check yes update every 1 steps, delay 0 steps, check yes
max neighbors/atom: 2000, page size: 100000 max neighbors/atom: 2000, page size: 100000
@ -58,134 +58,234 @@ Neighbor list info ...
bin: multi bin: multi
Per MPI rank memory allocation (min/avg/max) = 12.65 | 12.67 | 12.68 Mbytes Per MPI rank memory allocation (min/avg/max) = 12.65 | 12.67 | 12.68 Mbytes
Step Temp E_pair TotEng Press Volume Pxy Step Temp E_pair TotEng Press Volume Pxy
0 0.00014649953 0 0.00014648488 0.027643657 103595.49 -0.0014952693 0 4.9204851e-05 0 4.9199931e-05 0.61204991 103595.49 -0.00083309917
1000 0.00014726802 0 0.00014725329 0.029388139 103595.49 -0.00172238 1000 0.00038076464 0 0.00038072657 0.58694623 103595.49 -0.0066712806
2000 0.00014880425 0 0.00014878937 0.029608995 103595.49 -0.0023614491 2000 0.00027986478 0 0.00027983679 0.5845274 103595.49 -0.008880933
3000 0.00015154766 0 0.0001515325 0.029668747 103595.49 -0.0029243775 3000 0.00022105227 0 0.00022103017 0.58295464 103595.49 -0.011327442
4000 0.00015547813 0 0.00015546258 0.029662951 103595.49 -0.0034433688 4000 0.00020888366 0 0.00020886277 0.5826542 103595.49 -0.014147424
5000 0.00015919808 0 0.00015918216 0.02988062 103595.49 -0.0037443111 5000 0.00019912663 0 0.00019910672 0.58175837 103595.49 -0.015685634
6000 0.00016272902 0 0.00016271275 0.029776943 103595.49 -0.0042445445 6000 0.0001989441 0 0.00019892421 0.58170841 103595.49 -0.017379973
7000 0.00016666322 0 0.00016664655 0.029919286 103595.49 -0.0045231987 7000 0.00019307783 0 0.00019305852 0.58133913 103595.49 -0.019556709
8000 0.00017137531 0 0.00017135817 0.029849078 103595.49 -0.0049023441 8000 0.00018132444 0 0.00018130631 0.58134077 103595.49 -0.021609399
9000 0.00017774522 0 0.00017772744 0.029925275 103595.49 -0.0051437804 9000 0.00017909088 0 0.00017907297 0.58117179 103595.49 -0.023603514
10000 0.00018294048 0 0.00018292219 0.030166956 103595.49 -0.0052769381 10000 0.00018391928 0 0.00018390089 0.58070675 103595.49 -0.026026784
11000 0.00019030719 0 0.00019028816 0.02988594 103595.49 -0.0058095975 11000 0.00018985439 0 0.00018983541 0.58006086 103595.49 -0.028574238
12000 0.00019806568 0 0.00019804587 0.029852302 103595.49 -0.0060925449 12000 0.00018903569 0 0.00018901678 0.5794232 103595.49 -0.031151884
13000 0.00020800749 0 0.00020798669 0.029927995 103595.49 -0.0062667347 13000 0.00019070382 0 0.00019068475 0.57890243 103595.49 -0.033469404
14000 0.00021854888 0 0.00021852703 0.029984135 103595.49 -0.0064949797 14000 0.00019371625 0 0.00019369688 0.5787389 103595.49 -0.035646526
15000 0.00022975749 0 0.00022973451 0.030063358 103595.49 -0.0065788835 15000 0.00019833475 0 0.00019831492 0.57883166 103595.49 -0.037709788
16000 0.00024074076 0 0.00024071668 0.03006058 103595.49 -0.006757928 16000 0.0002011729 0 0.00020115278 0.57875606 103595.49 -0.039452453
17000 0.00025363768 0 0.00025361232 0.030138053 103595.49 -0.0068153904 17000 0.00020285197 0 0.00020283168 0.5786311 103595.49 -0.040960671
18000 0.00026618156 0 0.00026615494 0.030621109 103595.49 -0.0067026865 18000 0.00020319173 0 0.00020317141 0.57842387 103595.49 -0.042257076
19000 0.00028000661 0 0.00027997861 0.030520699 103595.49 -0.0067126187 19000 0.00020290253 0 0.00020288224 0.57795043 103595.49 -0.043364149
20000 0.00029472369 0 0.00029469422 0.030182866 103595.49 -0.0071232374 20000 0.00020509847 0 0.00020507796 0.57714779 103595.49 -0.04439226
21000 0.00031065822 0 0.00031062716 0.030417926 103595.49 -0.0070815254 21000 0.0002180326 0 0.0002180108 0.57569003 103595.49 -0.044749042
22000 0.00032789694 0 0.00032786415 0.030434044 103595.49 -0.007044194 22000 0.00020751218 0 0.00020749143 0.57477071 103595.49 -0.045719595
23000 0.00034491703 0 0.00034488253 0.031195478 103595.49 -0.006895101 23000 0.0002205328 0 0.00022051075 0.57409228 103595.49 -0.047332145
24000 0.00036262497 0 0.00036258871 0.030348688 103595.49 -0.0073503964 24000 0.00022689643 0 0.00022687374 0.57325004 103595.49 -0.048717593
25000 0.00038232332 0 0.00038228509 0.030429549 103595.49 -0.0073043833 25000 0.00025224797 0 0.00025222275 0.57283728 103595.49 -0.050255013
26000 0.00040292952 0 0.00040288922 0.030277517 103595.49 -0.0074475354 26000 0.00025343192 0 0.00025340657 0.5723866 103595.49 -0.051604294
27000 0.00042260162 0 0.00042255936 0.030270875 103595.49 -0.0074037511 27000 0.0002668981 0 0.00026687141 0.57221051 103595.49 -0.052915314
28000 0.00044296255 0 0.00044291826 0.030568983 103595.49 -0.0070827585 28000 0.00027867942 0 0.00027865155 0.57197889 103595.49 -0.053831415
29000 0.00046164594 0 0.00046159978 0.030392129 103595.49 -0.0070495682 29000 0.00028697868 0 0.00028694998 0.57177287 103595.49 -0.054693262
30000 0.00048018966 0 0.00048014164 0.03027035 103595.49 -0.0071339757 30000 0.00028857623 0 0.00028854737 0.5714545 103595.49 -0.055559583
31000 0.00049904958 0 0.00049899968 0.030278024 103595.49 -0.0070690709 31000 0.00029228526 0 0.00029225603 0.57110328 103595.49 -0.056491646
32000 0.00051586592 0 0.00051581433 0.030105498 103595.49 -0.007134143 32000 0.00029648479 0 0.00029645514 0.57060242 103595.49 -0.057299367
33000 0.000533257 0 0.00053320367 0.029788452 103595.49 -0.0072245811 33000 0.00030524226 0 0.00030521174 0.57003089 103595.49 -0.058207205
34000 0.00054849405 0 0.0005484392 0.029873916 103595.49 -0.0069597013 34000 0.00031725278 0 0.00031722106 0.56920179 103595.49 -0.059123522
35000 0.00056356221 0 0.00056350586 0.029706011 103595.49 -0.00704387 35000 0.00032273715 0 0.00032270488 0.56844806 103595.49 -0.06001074
36000 0.00057701153 0 0.00057695383 0.029584377 103595.49 -0.006959137 36000 0.00033013214 0 0.00033009912 0.56795631 103595.49 -0.06107304
37000 0.00058975804 0 0.00058969906 0.029510998 103595.49 -0.0069205813 37000 0.00033942364 0 0.00033938969 0.56749308 103595.49 -0.062060209
38000 0.00060106815 0 0.00060100804 0.029866588 103595.49 -0.006493655 38000 0.00035140856 0 0.00035137342 0.56682754 103595.49 -0.062954063
39000 0.0006117822 0 0.00061172102 0.029468049 103595.49 -0.0066810094 39000 0.00036125739 0 0.00036122126 0.56654839 103595.49 -0.063755554
40000 0.00062087615 0 0.00062081406 0.02930398 103595.49 -0.0067044715 40000 0.00037765404 0 0.00037761628 0.56619876 103595.49 -0.064535888
41000 0.00062938044 0 0.0006293175 0.029314381 103595.49 -0.0065941361 41000 0.00040833154 0 0.00040829071 0.56554179 103595.49 -0.064688901
42000 0.00063664289 0 0.00063657923 0.029294787 103595.49 -0.0065039202 42000 0.0004285629 0 0.00042852004 0.56474124 103595.49 -0.06526276
43000 0.00064404027 0 0.00064397587 0.029224232 103595.49 -0.0065035306 43000 0.00042691211 0 0.00042686942 0.56362219 103595.49 -0.065275494
44000 0.00064990723 0 0.00064984224 0.029142324 103595.49 -0.0065034116 44000 0.00040296803 0 0.00040292773 0.56310053 103595.49 -0.065625772
45000 0.00065485343 0 0.00065478795 0.029121173 103595.49 -0.0065214973 45000 0.00040933842 0 0.00040929749 0.56291338 103595.49 -0.066164396
46000 0.00065918796 0 0.00065912204 0.029651005 103595.49 -0.0060509446 46000 0.00040202229 0 0.00040198209 0.56273845 103595.49 -0.066541045
47000 0.00066144517 0 0.00066137903 0.029234729 103595.49 -0.0064672274 47000 0.00038914157 0 0.00038910266 0.562658 103595.49 -0.067357923
48000 0.00066261185 0 0.00066254559 0.029229845 103595.49 -0.0065053596 48000 0.00038428678 0 0.00038424835 0.5627468 103595.49 -0.068230972
49000 0.00066414215 0 0.00066407574 0.029562705 103595.49 -0.0062441985 49000 0.00036912501 0 0.0003690881 0.56261857 103595.49 -0.068794933
50000 0.0006656453 0 0.00066557874 0.029728174 103595.49 -0.0062147051 50000 0.00035203987 0 0.00035200467 0.56258099 103595.49 -0.069290362
51000 0.00066738973 0 0.00066732299 0.029928822 103595.49 -0.0060118516 51000 0.00034400774 0 0.00034397334 0.56237066 103595.49 -0.070274303
52000 0.00066929756 0 0.00066923063 0.029886551 103595.49 -0.0061374389 52000 0.00034126666 0 0.00034123253 0.56221436 103595.49 -0.071744779
53000 0.00067003172 0 0.00066996472 0.029567015 103595.49 -0.0063482821 53000 0.00033563205 0 0.00033559849 0.56195218 103595.49 -0.072836324
54000 0.00067198511 0 0.00067191791 0.029833698 103595.49 -0.0061879264 54000 0.0003304406 0 0.00033040756 0.5623187 103595.49 -0.073999087
55000 0.00067091193 0 0.00067084484 0.029711467 103595.49 -0.006233379 55000 0.00032742828 0 0.00032739553 0.56225383 103595.49 -0.075066978
56000 0.00067046578 0 0.00067039873 0.030035238 103595.49 -0.0060959401 56000 0.00032696921 0 0.00032693651 0.56285643 103595.49 -0.076445225
57000 0.00066988234 0 0.00066981535 0.030055225 103595.49 -0.0060935858 57000 0.0003316388 0 0.00033160564 0.56354513 103595.49 -0.077683955
58000 0.00066786916 0 0.00066780238 0.029282172 103595.49 -0.0066021495 58000 0.00034325202 0 0.0003432177 0.56416895 103595.49 -0.078839054
59000 0.00065350543 0 0.00065344008 0.029343567 103595.49 -0.0065364678 59000 0.0003433584 0 0.00034332406 0.56490343 103595.49 -0.079658776
60000 0.0006530936 0 0.0006530283 0.02940862 103595.49 -0.0065558353 60000 0.00034732721 0 0.00034729247 0.5651932 103595.49 -0.080573609
61000 0.00065187483 0 0.00065180964 0.02929946 103595.49 -0.0066840857 61000 0.00034978913 0 0.00034975415 0.56517379 103595.49 -0.081109788
62000 0.00065245428 0 0.00065238904 0.030084765 103595.49 -0.0063065368 62000 0.00034995232 0 0.00034991733 0.56534537 103595.49 -0.081491908
63000 0.0006549311 0 0.00065486561 0.029725525 103595.49 -0.0065305296 63000 0.00033854315 0 0.00033850929 0.56582246 103595.49 -0.081894953
64000 0.00065774123 0 0.00065767546 0.029562667 103595.49 -0.0066194535 64000 0.0003260452 0 0.00032601259 0.56583259 103595.49 -0.082790811
65000 0.00066126698 0 0.00066120085 0.029524987 103595.49 -0.0067008104 65000 0.00031763096 0 0.0003175992 0.56576947 103595.49 -0.083707224
66000 0.0006643846 0 0.00066431816 0.029589813 103595.49 -0.0066689844 66000 0.00031761371 0 0.00031758194 0.56548785 103595.49 -0.084243042
67000 0.00066823073 0 0.00066816391 0.029613668 103595.49 -0.0067372273 67000 0.00031503681 0 0.0003150053 0.56483862 103595.49 -0.08451056
68000 0.00067301835 0 0.00067295104 0.029568568 103595.49 -0.0067808311 68000 0.0003036386 0 0.00030360824 0.56444755 103595.49 -0.084967521
69000 0.00067876831 0 0.00067870043 0.029948152 103595.49 -0.0065107568 69000 0.00030398979 0 0.00030395939 0.56436362 103595.49 -0.085541879
70000 0.00068419902 0 0.0006841306 0.029572996 103595.49 -0.0067066975 70000 0.0003281569 0 0.00032812409 0.56372598 103595.49 -0.085287975
71000 0.00068730343 0 0.0006872347 0.029970497 103595.49 -0.0063646358 71000 0.00035614631 0 0.0003561107 0.56322133 103595.49 -0.084970215
72000 0.00068930016 0 0.00068923123 0.029602044 103595.49 -0.0064953597 72000 0.00032709207 0 0.00032705936 0.56231837 103595.49 -0.085540239
73000 0.00068953092 0 0.00068946197 0.029671751 103595.49 -0.0064422021 73000 0.00032545048 0 0.00032541793 0.56278947 103595.49 -0.085940822
74000 0.00069106659 0 0.00069099748 0.029918321 103595.49 -0.0062634576 74000 0.00033285331 0 0.00033282002 0.56288405 103595.49 -0.08695227
75000 0.00069609345 0 0.00069602384 0.029666179 103595.49 -0.0063552778 75000 0.00034622589 0 0.00034619127 0.56198219 103595.49 -0.086349357
76000 0.00070399534 0 0.00070392494 0.029599912 103595.49 -0.0063251165 76000 0.00033654825 0 0.0003365146 0.56183659 103595.49 -0.086892729
77000 0.00070284669 0 0.00070277641 0.029658992 103595.49 -0.0061988379 77000 0.00033550364 0 0.00033547009 0.56197292 103595.49 -0.087018641
78000 0.00070619715 0 0.00070612653 0.029578035 103595.49 -0.0062153063 78000 0.00032680247 0 0.00032676979 0.56183307 103595.49 -0.087097072
79000 0.00070895477 0 0.00070888388 0.029617734 103595.49 -0.0062090554 79000 0.00031624495 0 0.00031621333 0.56161689 103595.49 -0.087358849
80000 0.00071127424 0 0.00071120311 0.029539347 103595.49 -0.0062883775 80000 0.0003124879 0 0.00031245665 0.5618608 103595.49 -0.087165611
81000 0.00070945256 0 0.00070938162 0.029515493 103595.49 -0.0063350852 81000 0.00029451552 0 0.00029448606 0.56211081 103595.49 -0.087652479
82000 0.00070895167 0 0.00070888078 0.029537389 103595.49 -0.0063819074 82000 0.00029588468 0 0.00029585509 0.5628096 103595.49 -0.08832193
83000 0.00070948858 0 0.00070941763 0.02998589 103595.49 -0.0061284544 83000 0.00030483225 0 0.00030480177 0.56261673 103595.49 -0.088586937
84000 0.00071197606 0 0.00071190486 0.030005566 103595.49 -0.0061829926 84000 0.00029556003 0 0.00029553047 0.56272654 103595.49 -0.089434209
85000 0.00071266684 0 0.00071259557 0.029675137 103595.49 -0.0063804963 85000 0.00030506369 0 0.00030503319 0.5627918 103595.49 -0.089830152
86000 0.00071465352 0 0.00071458205 0.029762675 103595.49 -0.0062924985 86000 0.00030015302 0 0.00030012301 0.56240656 103595.49 -0.090100219
87000 0.00071779428 0 0.0007177225 0.029712831 103595.49 -0.0063812951 87000 0.00030322942 0 0.0003031991 0.56243997 103595.49 -0.090327187
88000 0.00072016431 0 0.0007200923 0.029932619 103595.49 -0.0063145709 88000 0.00030569181 0 0.00030566124 0.56236256 103595.49 -0.090734148
89000 0.00072271727 0 0.000722645 0.029818327 103595.49 -0.0064025621 89000 0.00031220625 0 0.00031217503 0.5621542 103595.49 -0.090898044
90000 0.00072122834 0 0.00072115622 0.029829495 103595.49 -0.0065870713 90000 0.00032214966 0 0.00032211744 0.56209534 103595.49 -0.090909986
91000 0.00072441206 0 0.00072433962 0.029939415 103595.49 -0.0064224045 91000 0.00033884101 0 0.00033880712 0.56191673 103595.49 -0.090818046
92000 0.00072735846 0 0.00072728572 0.02991447 103595.49 -0.0064256019 92000 0.00033260559 0 0.00033257233 0.56172194 103595.49 -0.090647169
93000 0.00072898882 0 0.00072891592 0.030230938 103595.49 -0.0061929729 93000 0.00032732547 0 0.00032729274 0.5619652 103595.49 -0.090575176
94000 0.00072985209 0 0.00072977911 0.030145973 103595.49 -0.0062797016 94000 0.00033817734 0 0.00033814352 0.56155436 103595.49 -0.090700379
95000 0.0007320685 0 0.0007319953 0.030113809 103595.49 -0.0062765142 95000 0.00033009649 0 0.00033006348 0.56147407 103595.49 -0.090940641
96000 0.0007337917 0 0.00073371832 0.029919191 103595.49 -0.0063350801 96000 0.00032882782 0 0.00032879494 0.56191577 103595.49 -0.091469188
97000 0.00073385417 0 0.00073378078 0.030184207 103595.49 -0.0062855982 97000 0.00032856078 0 0.00032852793 0.56271585 103595.49 -0.092256803
98000 0.00073531629 0 0.00073524276 0.029974905 103595.49 -0.0064826333 98000 0.00033030749 0 0.00033027446 0.56340097 103595.49 -0.093188128
99000 0.0007380024 0 0.0007379286 0.030678507 103595.49 -0.0060867823 99000 0.00033611507 0 0.00033608146 0.56375754 103595.49 -0.093539699
100000 0.00073858055 0 0.00073850669 0.030048209 103595.49 -0.0065772058 100000 0.00034990568 0 0.00034987069 0.56450225 103595.49 -0.093951624
Loop time of 77.8133 on 4 procs for 100000 steps with 10000 atoms 101000 0.00044441478 0 0.00044437034 0.56437908 103595.49 -0.094161976
102000 0.00045403284 0 0.00045398743 0.56433013 103595.49 -0.093900071
103000 0.00045412317 0 0.00045407776 0.56468095 103595.49 -0.093670567
104000 0.00046494637 0 0.00046489988 0.56478442 103595.49 -0.093397211
105000 0.00047962271 0 0.00047957475 0.56482329 103595.49 -0.093141318
106000 0.00046840864 0 0.0004683618 0.56494359 103595.49 -0.092994704
107000 0.00046432422 0 0.00046427779 0.56543377 103595.49 -0.093135897
108000 0.0004655443 0 0.00046549774 0.5656898 103595.49 -0.093383926
109000 0.0004863785 0 0.00048632986 0.5657434 103595.49 -0.093328929
110000 0.00048804324 0 0.00048799443 0.5656147 103595.49 -0.09302382
111000 0.00050352097 0 0.00050347062 0.56529279 103595.49 -0.092461373
112000 0.00050474509 0 0.00050469461 0.56537494 103595.49 -0.092212501
113000 0.0005125299 0 0.00051247865 0.56547326 103595.49 -0.092304578
114000 0.00052700168 0 0.00052694898 0.56568076 103595.49 -0.092013613
115000 0.00054217865 0 0.00054212444 0.56526328 103595.49 -0.091011537
116000 0.00055122699 0 0.00055117186 0.56489606 103595.49 -0.090688925
117000 0.00055802701 0 0.00055797121 0.56458767 103595.49 -0.090385903
118000 0.00055416633 0 0.00055411091 0.56433528 103595.49 -0.090454192
119000 0.00055519395 0 0.00055513843 0.56411926 103595.49 -0.090495063
120000 0.0005535194 0 0.00055346405 0.56424847 103595.49 -0.090915789
121000 0.00054781097 0 0.00054775619 0.56443756 103595.49 -0.090687173
122000 0.00054528815 0 0.00054523362 0.56401103 103595.49 -0.090443168
123000 0.0005456223 0 0.00054556773 0.56376875 103595.49 -0.090277114
124000 0.00054080131 0 0.00054074723 0.563306 103595.49 -0.091297668
125000 0.00054597 0 0.0005459154 0.56387718 103595.49 -0.091522394
126000 0.000544669 0 0.00054461453 0.56318185 103595.49 -0.091100523
127000 0.00054592361 0 0.00054586902 0.56328758 103595.49 -0.091299714
128000 0.00056246325 0 0.000562407 0.56296852 103595.49 -0.091491356
129000 0.00057655488 0 0.00057649723 0.56242057 103595.49 -0.091474584
130000 0.00060363901 0 0.00060357864 0.56182729 103595.49 -0.091367782
131000 0.00060590757 0 0.00060584698 0.56115572 103595.49 -0.090594163
132000 0.00061689139 0 0.0006168297 0.56029248 103595.49 -0.089857939
133000 0.00063288773 0 0.00063282444 0.55971427 103595.49 -0.08954619
134000 0.00064153654 0 0.00064147238 0.55929877 103595.49 -0.089860563
135000 0.00065473169 0 0.00065466622 0.5590797 103595.49 -0.089932375
136000 0.0006814182 0 0.00068135006 0.55797116 103595.49 -0.08929097
137000 0.00068344911 0 0.00068338077 0.55796657 103595.49 -0.089644888
138000 0.00071510067 0 0.00071502916 0.55752379 103595.49 -0.089734088
139000 0.00074772787 0 0.0007476531 0.55740054 103595.49 -0.089968295
140000 0.00072706311 0 0.0007269904 0.55659113 103595.49 -0.090370844
141000 0.0007179286 0 0.00071785681 0.55659012 103595.49 -0.089976688
142000 0.00072587657 0 0.00072580399 0.55589037 103595.49 -0.090532153
143000 0.00074470967 0 0.0007446352 0.55553128 103595.49 -0.091019969
144000 0.00071737422 0 0.00071730248 0.55555994 103595.49 -0.090926005
145000 0.00070363824 0 0.00070356787 0.55548936 103595.49 -0.0912353
146000 0.00069604487 0 0.00069597527 0.55540516 103595.49 -0.091656715
147000 0.00070047196 0 0.00070040191 0.55466746 103595.49 -0.092101291
148000 0.00069764904 0 0.00069757927 0.55460283 103595.49 -0.092334573
149000 0.00068884707 0 0.00068877819 0.55462796 103595.49 -0.0928736
150000 0.00067704593 0 0.00067697823 0.55520015 103595.49 -0.093512131
151000 0.00067702275 0 0.00067695505 0.55530068 103595.49 -0.094127311
152000 0.000690717 0 0.00069064792 0.55432538 103595.49 -0.094248615
153000 0.00067758953 0 0.00067752177 0.55460446 103595.49 -0.094839924
154000 0.00067748542 0 0.00067741767 0.55532529 103595.49 -0.095832411
155000 0.00068723442 0 0.0006871657 0.55637763 103595.49 -0.096838207
156000 0.00071590663 0 0.00071583504 0.5569485 103595.49 -0.097686166
157000 0.00078378647 0 0.0007837081 0.55755381 103595.49 -0.097968527
158000 0.00080144334 0 0.00080136319 0.55741023 103595.49 -0.098119361
159000 0.00079183165 0 0.00079175247 0.55756142 103595.49 -0.097925888
160000 0.00081212358 0 0.00081204237 0.55669124 103595.49 -0.098171108
161000 0.00082903843 0 0.00082895553 0.55608918 103595.49 -0.097827206
162000 0.00084257416 0 0.0008424899 0.5560239 103595.49 -0.096775743
163000 0.00086279615 0 0.00086270987 0.55550215 103595.49 -0.095981927
164000 0.00092139657 0 0.00092130443 0.55395137 103595.49 -0.095215338
165000 0.00095519936 0 0.00095510384 0.55376787 103595.49 -0.0945666
166000 0.00092201276 0 0.00092192056 0.55373794 103595.49 -0.093531233
167000 0.0008525194 0 0.00085243415 0.55375862 103595.49 -0.09389901
168000 0.00081977785 0 0.00081969587 0.5536646 103595.49 -0.093829746
169000 0.00079692467 0 0.00079684497 0.55416599 103595.49 -0.094433271
170000 0.00077787798 0 0.0007778002 0.55416629 103595.49 -0.095043413
171000 0.0007651362 0 0.00076505969 0.55418872 103595.49 -0.095212376
172000 0.00074631438 0 0.00074623975 0.55403881 103595.49 -0.095463949
173000 0.00074431288 0 0.00074423845 0.55415801 103595.49 -0.095319615
174000 0.00073924649 0 0.00073917257 0.55373682 103595.49 -0.094724272
175000 0.00070973165 0 0.00070966068 0.55393569 103595.49 -0.094201112
176000 0.00069820766 0 0.00069813784 0.55341229 103595.49 -0.093530469
177000 0.00070922657 0 0.00070915564 0.55282781 103595.49 -0.093282587
178000 0.00073688566 0 0.00073681197 0.55223248 103595.49 -0.092190554
179000 0.00072455886 0 0.0007244864 0.55244288 103595.49 -0.09182393
180000 0.00071894558 0 0.00071887369 0.55281517 103595.49 -0.092177032
181000 0.00071752475 0 0.000717453 0.55297293 103595.49 -0.09230934
182000 0.00072247421 0 0.00072240196 0.55287294 103595.49 -0.092465908
183000 0.00070596821 0 0.00070589761 0.5526242 103595.49 -0.092013313
184000 0.00072460909 0 0.00072453663 0.55230817 103595.49 -0.092211243
185000 0.00072499917 0 0.00072492667 0.55273387 103595.49 -0.092920761
186000 0.00072852698 0 0.00072845413 0.55358929 103595.49 -0.093428623
187000 0.00072515668 0 0.00072508417 0.55336733 103595.49 -0.093440126
188000 0.00071355728 0 0.00071348593 0.55408468 103595.49 -0.094819333
189000 0.00071703212 0 0.00071696042 0.55424355 103595.49 -0.096198144
190000 0.00071808849 0 0.00071801668 0.55504118 103595.49 -0.097199842
191000 0.00072458142 0 0.00072450896 0.55493515 103595.49 -0.097564772
192000 0.00071472504 0 0.00071465357 0.55572657 103595.49 -0.097663072
193000 0.00070803966 0 0.00070796886 0.55546116 103595.49 -0.097306162
194000 0.00068236077 0 0.00068229254 0.55581155 103595.49 -0.097141594
195000 0.00067304613 0 0.00067297882 0.55559507 103595.49 -0.096646489
196000 0.00066680808 0 0.0006667414 0.55512029 103595.49 -0.096241456
197000 0.00065829161 0 0.00065822578 0.55545375 103595.49 -0.095808778
198000 0.0006617611 0 0.00066169492 0.55551074 103595.49 -0.095423531
199000 0.00066805655 0 0.00066798975 0.55581298 103595.49 -0.095287337
200000 0.00067263902 0 0.00067257175 0.55601669 103595.49 -0.095551006
Loop time of 145.127 on 4 procs for 200000 steps with 10000 atoms
Performance: 555175.163 tau/day, 1285.128 timesteps/s Performance: 595339.507 tau/day, 1378.101 timesteps/s
100.0% CPU use with 4 MPI tasks x 1 OpenMP threads 100.0% CPU use with 4 MPI tasks x 1 OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 28.939 | 48.992 | 61.808 | 189.4 | 62.96 Pair | 57.89 | 91.946 | 113.82 | 229.7 | 63.36
Neigh | 0.22765 | 0.31872 | 0.38751 | 10.9 | 0.41 Neigh | 0.34276 | 0.48607 | 0.56708 | 13.1 | 0.33
Comm | 3.53 | 16.362 | 36.515 | 328.8 | 21.03 Comm | 6.569 | 28.916 | 63.505 | 417.0 | 19.92
Output | 0.0046275 | 0.0064601 | 0.008626 | 1.8 | 0.01 Output | 0.0087178 | 0.011935 | 0.01563 | 2.3 | 0.01
Modify | 5.0862 | 8.3128 | 10.255 | 74.1 | 10.68 Modify | 10.432 | 16.495 | 20.378 | 97.7 | 11.37
Other | | 3.821 | | | 4.91 Other | | 7.272 | | | 5.01
Nlocal: 2500.00 ave 3016 max 1605 min Nlocal: 2500.00 ave 2990 max 1652 min
Histogram: 1 0 0 0 0 1 0 0 0 2 Histogram: 1 0 0 0 0 1 0 0 0 2
Nghost: 221.500 ave 273 max 176 min Nghost: 228.000 ave 254 max 198 min
Histogram: 1 0 0 1 0 1 0 0 0 1 Histogram: 1 0 1 0 0 0 0 0 0 2
Neighs: 8616.00 ave 10377 max 5447 min Neighs: 8611.25 ave 10364 max 5676 min
Histogram: 1 0 0 0 0 1 0 0 0 2 Histogram: 1 0 0 0 0 1 0 0 0 2
Total # of neighbors = 34464 Total # of neighbors = 34445
Ave neighs/atom = 3.4464000 Ave neighs/atom = 3.4445000
Neighbor list builds = 153 Neighbor list builds = 241
Dangerous builds = 0 Dangerous builds = 0
Please see the log.cite file for references relevant to this simulation Please see the log.cite file for references relevant to this simulation
Total wall time: 0:01:17 Total wall time: 0:02:25