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lammps/examples/granregion/log.6Oct16.granregion.box.g++.4
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LAMMPS (5 Oct 2016)
# pouring spheres into container box
units lj
atom_style sphere
boundary f f f
dimension 3
comm_modify vel yes
region box block -10 10 -10 10 -10 10 units box
create_box 2 box
Created orthogonal box = (-10 -10 -10) to (10 10 10)
1 by 2 by 2 MPI processor grid
pair_style hybrid gran/hooke 4000.0 NULL 100.0 NULL 0.5 1
pair_coeff * * gran/hooke
region container block -6 6 -6 6 -6 6 units box
fix container all wall/gran/region hooke/history 4000.0 NULL 100.0 NULL 0.5 1 region container
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
fix 2 all nve/sphere
fix 3 all gravity 1.0 vector 0 0 -1
region slab block -2 2 -2 2 -2 2 units box
fix ins all pour 100 2 4767548 vol 0.4 10 diam one 1.0 region slab ignore
Particle insertion: 48 every 566 steps, 100 by step 1133
timestep 0.005
compute 1 all temp
compute_modify 1 dynamic yes
compute 2 all temp/sphere
compute_modify 2 dynamic yes
thermo 100
thermo_style custom step atoms temp c_1 c_2 press
thermo_modify lost ignore
compute_modify thermo_temp dynamic yes
#dump 2 all image 100 image.*.jpg type type # zoom 1.4 adiam 1.0 box no 0.0 axes yes 0.9 0.03
#dump_modify 2 pad 5
run 5000
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 0 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 1.3
ghost atom cutoff = 1.3
binsize = 0.65 -> bins = 31 31 31
Memory usage per processor = 0.0990257 Mbytes
Step Atoms Temp c_1 c_2 Press
0 0 0 0 0 0
100 21 0.54270729 0.54270729 0.26473526 0.0013567682
200 21 0.87606961 0.87606961 0.42735103 0.002190174
300 21 1.1428374 1.1428374 0.55748167 0.0028570936
400 21 1.3543103 1.3543103 0.66829516 0.0033857758
500 21 1.0677786 1.0677786 0.53582407 0.0045048164
600 56 0.6744286 0.6744286 0.3502938 0.0047464584
700 56 0.75569283 0.75569283 0.39779462 0.0051953882
800 56 0.61597505 0.61597505 0.32943642 0.0086022783
900 56 0.65260802 0.65260802 0.34474044 0.0059298996
1000 56 0.51624952 0.51624952 0.28326898 0.0067827337
1100 56 0.46050076 0.46050076 0.25656319 0.0061891094
1200 81 0.39112377 0.39112377 0.21690744 0.0086559347
1300 81 0.33302801 0.33302801 0.19110222 0.0033381288
1400 81 0.39333146 0.39333146 0.21220965 0.0041348597
1500 81 0.35493951 0.35493951 0.19924958 0.00373736
1600 81 0.34154491 0.34154491 0.19031147 0.005349672
1700 100 0.25598828 0.25598828 0.14171498 0.0092236643
1800 100 0.2114074 0.2114074 0.12162965 0.0027213483
1900 100 0.21810423 0.21810423 0.12176698 0.0036436054
2000 100 0.2553198 0.2553198 0.13900087 0.0032844518
2100 100 0.24809936 0.24809936 0.13753654 0.0088764777
2200 100 0.22455625 0.22455625 0.12500973 0.0043515755
2300 100 0.19586871 0.19586871 0.11064996 0.0055176298
2400 100 0.059621411 0.059621411 0.045535517 0.00079910861
2500 100 0.052217518 0.052217518 0.038542594 0.0009759424
2600 100 0.036907358 0.036907358 0.027550263 0.0014047668
2700 100 0.027926944 0.027926944 0.020599405 0.00063362027
2800 100 0.020876282 0.020876282 0.015385856 0.00066161626
2900 100 0.010390963 0.010390963 0.0085038611 0.00026222195
3000 100 0.0080105974 0.0080105974 0.006995365 0.00059521652
3100 100 0.0087388005 0.0087388005 0.0069051613 0.00028045343
3200 100 0.0078828927 0.0078828927 0.0060159861 0.00014819289
3300 100 0.0039336821 0.0039336821 0.0036525886 0.0001439482
3400 100 0.0037684472 0.0037684472 0.0031531439 0.00010653386
3500 100 0.0023527874 0.0023527874 0.0020983632 6.3797052e-05
3600 100 0.0018768162 0.0018768162 0.0017248798 0.00014904114
3700 100 0.00135595 0.00135595 0.0013962044 6.2461444e-05
3800 100 0.0012673777 0.0012673777 0.0013074364 0.00028034063
3900 100 0.00081311806 0.00081311806 0.00095642595 7.9543605e-05
4000 100 0.00059774673 0.00059774673 0.00074849615 6.8190201e-05
4100 100 0.00052811986 0.00052811986 0.00067263919 5.012633e-05
4200 100 0.00049555855 0.00049555855 0.00061736675 4.9888372e-05
4300 100 0.00048274473 0.00048274473 0.00059050389 5.1381757e-05
4400 100 0.00047341333 0.00047341333 0.00058083446 5.02623e-05
4500 100 0.00046792237 0.00046792237 0.00057416894 4.9019652e-05
4600 100 0.00046035378 0.00046035378 0.00056694823 6.0353699e-05
4700 100 0.00038114933 0.00038114933 0.0004980117 6.5173515e-05
4800 100 0.0003783967 0.0003783967 0.00049488428 4.8463898e-05
4900 100 0.00027940611 0.00027940611 0.00041517649 5.0979155e-05
5000 100 0.00026071989 0.00026071989 0.00040045214 5.151673e-05
Loop time of 0.0799825 on 4 procs for 5000 steps with 100 atoms
Performance: 27005901.076 tau/day, 62513.660 timesteps/s
96.6% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.00093961 | 0.0032012 | 0.0054553 | 3.8 | 4.00
Neigh | 0.0032456 | 0.0046872 | 0.0061908 | 2.0 | 5.86
Comm | 0.014328 | 0.02121 | 0.029619 | 4.7 | 26.52
Output | 0.0011828 | 0.0014142 | 0.0015574 | 0.4 | 1.77
Modify | 0.002455 | 0.013876 | 0.026567 | 9.6 | 17.35
Other | | 0.03559 | | | 44.50
Nlocal: 25 ave 51 max 0 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost: 4.75 ave 11 max 0 min
Histogram: 2 0 0 0 0 0 0 1 0 1
Neighs: 39.5 ave 85 max 0 min
Histogram: 2 0 0 0 0 0 0 0 1 1
Total # of neighbors = 158
Ave neighs/atom = 1.58
Neighbor list builds = 305
Dangerous builds = 0
region container delete
variable theta equal (step-5000)*(4.0*PI/5000)
region container block -6 6 -6 6 -6 6 units box rotate v_theta 0 0 0 0 0 1
run 5000
Memory usage per processor = 5.16122 Mbytes
Step Atoms Temp c_1 c_2 Press
5000 100 0.00026071989 0.00026071989 0.00040045214 5.1497323e-05
5100 100 0.66352492 0.66352492 0.35750241 0.015948709
5200 100 0.6922229 0.6922229 0.37176131 0.011025479
5300 100 0.76307067 0.76307067 0.40325027 0.010979511
5400 100 0.83871418 0.83871418 0.43756084 0.012600965
5500 100 0.93090048 0.93090048 0.4817574 0.012306942
5600 100 0.98338567 0.98338567 0.50374148 0.015434412
5700 100 1.0455442 1.0455442 0.53265847 0.017959409
5800 100 1.1081511 1.1081511 0.56112842 0.018832417
5900 100 1.1724309 1.1724309 0.59276447 0.019257973
6000 100 1.1914813 1.1914813 0.60201665 0.019694573
6100 100 1.2417733 1.2417733 0.62578893 0.019616524
6200 100 1.2612898 1.2612898 0.63503847 0.020442394
6300 100 1.2657345 1.2657345 0.63714395 0.020498843
6400 100 1.2678009 1.2678009 0.63828941 0.019900919
6500 100 1.284156 1.284156 0.64724666 0.020147256
6600 100 1.3090278 1.3090278 0.65925035 0.02136883
6700 100 1.3122075 1.3122075 0.66136807 0.020782325
6800 100 1.3147107 1.3147107 0.66026206 0.022887611
6900 100 1.3185295 1.3185295 0.66157265 0.021249838
7000 100 1.3232771 1.3232771 0.66334852 0.021738995
7100 100 1.3375003 1.3375003 0.67017176 0.021997185
7200 100 1.3349835 1.3349835 0.66895884 0.022149977
7300 100 1.3388711 1.3388711 0.67061163 0.021662545
7400 100 1.338676 1.338676 0.67074642 0.021076102
7500 100 1.3409052 1.3409052 0.67205098 0.021664853
7600 100 1.3499236 1.3499236 0.67612412 0.021653422
7700 100 1.3479719 1.3479719 0.67510646 0.021873569
7800 100 1.3489138 1.3489138 0.67563223 0.021419315
7900 100 1.357018 1.357018 0.6795804 0.022201202
8000 100 1.3540513 1.3540513 0.67843711 0.02275761
8100 100 1.3560429 1.3560429 0.67947065 0.022421723
8200 100 1.3590694 1.3590694 0.6806094 0.022004213
8300 100 1.3592154 1.3592154 0.68083948 0.021923269
8400 100 1.3601392 1.3601392 0.68121418 0.022155184
8500 100 1.3622149 1.3622149 0.6824182 0.022126924
8600 100 1.3651697 1.3651697 0.68397342 0.022195287
8700 100 1.3679254 1.3679254 0.68540978 0.023609651
8800 100 1.3686254 1.3686254 0.68559712 0.02242291
8900 100 1.3761277 1.3761277 0.68897201 0.023594162
9000 100 1.379968 1.379968 0.69045216 0.022516846
9100 100 1.3784732 1.3784732 0.68955121 0.022836115
9200 100 1.376848 1.376848 0.6885551 0.02279321
9300 100 1.3799231 1.3799231 0.68964009 0.023105818
9400 100 1.3817992 1.3817992 0.69057466 0.023062265
9500 100 1.3836544 1.3836544 0.69156755 0.024363244
9600 100 1.388032 1.388032 0.69348762 0.024930983
9700 100 1.3943738 1.3943738 0.6965703 0.024448451
9800 100 1.3963094 1.3963094 0.6971039 0.02341203
9900 100 1.3995489 1.3995489 0.69881652 0.023502542
10000 100 1.3974742 1.3974742 0.69765474 0.02340004
Loop time of 0.18267 on 4 procs for 5000 steps with 100 atoms
Performance: 11824571.055 tau/day, 27371.692 timesteps/s
99.1% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.0010765 | 0.012038 | 0.023519 | 9.9 | 6.59
Neigh | 0.0057316 | 0.010541 | 0.015351 | 4.6 | 5.77
Comm | 0.0067229 | 0.017007 | 0.028509 | 7.8 | 9.31
Output | 0.0011928 | 0.002021 | 0.0027668 | 1.6 | 1.11
Modify | 0.009697 | 0.053707 | 0.098413 | 19.0 | 29.40
Other | | 0.08736 | | | 47.82
Nlocal: 25 ave 51 max 0 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost: 3.25 ave 8 max 0 min
Histogram: 2 0 0 0 0 0 1 0 0 1
Neighs: 46.75 ave 104 max 0 min
Histogram: 2 0 0 0 0 0 0 1 0 1
Total # of neighbors = 187
Ave neighs/atom = 1.87
Neighbor list builds = 633
Dangerous builds = 0
region container delete
region container block -6 6 -6 6 -6 6 units box
run 5000
Memory usage per processor = 5.16122 Mbytes
Step Atoms Temp c_1 c_2 Press
10000 100 1.3974742 1.3974742 0.69765474 0.023347613
10100 100 0.34944285 0.34944285 0.20251378 0.019176827
10200 100 0.22524385 0.22524385 0.14368424 0.0033260831
10300 100 0.15243438 0.15243438 0.11070165 0.0064816535
10400 100 0.1143586 0.1143586 0.087867032 0.0024091961
10500 100 0.092025102 0.092025102 0.071291506 0.0030683413
10600 100 0.071051442 0.071051442 0.05700858 0.00100243
10700 100 0.058346771 0.058346771 0.04843626 0.0006073275
10800 100 0.048700232 0.048700232 0.039550383 0.00091511006
10900 100 0.036880936 0.036880936 0.029482183 0.0011698854
11000 100 0.028768807 0.028768807 0.023865852 0.0011980794
11100 100 0.022823005 0.022823005 0.018819891 0.0004639259
11200 100 0.016954703 0.016954703 0.014075803 0.00085142865
11300 100 0.015359685 0.015359685 0.01295219 0.00026241662
11400 100 0.012748378 0.012748378 0.011085291 0.00045626939
11500 100 0.010464459 0.010464459 0.0087024732 0.00029325411
11600 100 0.0099186727 0.0099186727 0.0080127406 0.00031388584
11700 100 0.0088308874 0.0088308874 0.0072317369 0.00017850972
11800 100 0.0081740195 0.0081740195 0.0066522963 0.00012282618
11900 100 0.0079005289 0.0079005289 0.0063346391 0.00010630403
12000 100 0.0066277573 0.0066277573 0.0054122601 5.4791661e-05
12100 100 0.00567928 0.00567928 0.0047331385 9.2668647e-05
12200 100 0.005282803 0.005282803 0.0043827202 8.7820361e-05
12300 100 0.0051590302 0.0051590302 0.0042806737 6.5433983e-05
12400 100 0.0049013329 0.0049013329 0.0040882737 6.2007733e-05
12500 100 0.0044725745 0.0044725745 0.0037535523 6.1132729e-05
12600 100 0.0043131884 0.0043131884 0.0035845765 5.3375706e-05
12700 100 0.0042020236 0.0042020236 0.0034902096 0.0001192142
12800 100 0.0041367453 0.0041367453 0.003433341 0.00011052418
12900 100 0.0039862367 0.0039862367 0.0033026224 5.2674711e-05
13000 100 0.0033163769 0.0033163769 0.0028118123 5.9042575e-05
13100 100 0.0030645983 0.0030645983 0.002571872 4.9521551e-05
13200 100 0.002808301 0.002808301 0.0023652684 3.4748246e-05
13300 100 0.002556475 0.002556475 0.0021699595 0.00042840611
13400 100 0.0023430405 0.0023430405 0.0019913198 2.2687303e-05
13500 100 0.0021422817 0.0021422817 0.0018017112 -6.7761855e-06
13600 100 0.0020993702 0.0020993702 0.001749657 2.5979707e-05
13700 100 0.0019871396 0.0019871396 0.0016647634 5.754995e-05
13800 100 0.0017311886 0.0017311886 0.0014696399 2.1585018e-05
13900 100 0.0016249641 0.0016249641 0.0013982224 2.0108931e-05
14000 100 0.0015874763 0.0015874763 0.0013613318 0.00018348921
14100 100 0.0013772541 0.0013772541 0.0012193388 1.9336869e-05
14200 100 0.0013587865 0.0013587865 0.0012054213 1.807845e-05
14300 100 0.0011824329 0.0011824329 0.0010348168 0.00017307518
14400 100 0.0011387278 0.0011387278 0.0010010725 1.4091757e-05
14500 100 0.0010441599 0.0010441599 0.00092205881 1.3630652e-05
14600 100 0.00096839518 0.00096839518 0.00086828535 1.2437299e-05
14700 100 0.00094215882 0.00094215882 0.00084418599 5.3989122e-05
14800 100 0.00077297853 0.00077297853 0.00070382005 8.5049867e-06
14900 100 0.00072181281 0.00072181281 0.00066110432 8.9324335e-06
15000 100 0.00070122327 0.00070122327 0.00063826734 3.4876262e-05
Loop time of 0.0815294 on 4 procs for 5000 steps with 100 atoms
Performance: 26493517.176 tau/day, 61327.586 timesteps/s
97.8% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.00076294 | 0.0033154 | 0.0062585 | 4.3 | 4.07
Neigh | 0.0010953 | 0.0020078 | 0.002914 | 2.0 | 2.46
Comm | 0.0021389 | 0.012184 | 0.023433 | 9.1 | 14.94
Output | 0.0011332 | 0.0014591 | 0.0017147 | 0.7 | 1.79
Modify | 0.00083971 | 0.017889 | 0.035367 | 12.7 | 21.94
Other | | 0.04467 | | | 54.79
Nlocal: 25 ave 54 max 0 min
Histogram: 2 0 0 0 0 0 0 0 1 1
Nghost: 3.75 ave 8 max 0 min
Histogram: 2 0 0 0 0 0 0 0 1 1
Neighs: 37.5 ave 97 max 0 min
Histogram: 2 0 0 0 0 1 0 0 0 1
Total # of neighbors = 150
Ave neighs/atom = 1.5
Neighbor list builds = 120
Dangerous builds = 0
region container delete
variable theta equal (step-15000)*(4.0*PI/5000)
region container block -6 6 -6 6 -6 6 units box rotate v_theta 0 0 0 1 1 1
run 5000
Memory usage per processor = 5.16122 Mbytes
Step Atoms Temp c_1 c_2 Press
15000 100 0.00070122327 0.00070122327 0.00063826734 3.4742207e-05
15100 100 1.1981004 1.1981004 0.74046013 0.017300203
15200 100 1.2197457 1.2197457 0.75847511 0.016724637
15300 100 1.1794198 1.1794198 0.77076582 0.017228755
15400 100 1.4027714 1.4027714 0.87950036 0.021028602
15500 100 1.5514702 1.5514702 0.95040716 0.019935207
15600 100 1.8360404 1.8360404 1.0987247 0.02494663
15700 100 2.0317625 2.0317625 1.2004001 0.029286087
15800 100 2.0478625 2.0478625 1.189893 0.031660426
15900 100 2.1289888 2.1289888 1.2083316 0.028754408
16000 100 2.2261493 2.2261493 1.2550891 0.030665647
16100 100 2.3005184 2.3005184 1.29238 0.036511242
16200 100 2.4515818 2.4515818 1.3563253 0.033787104
16300 100 2.4524614 2.4524614 1.3571527 0.031905963
16400 100 2.5592541 2.5592541 1.405001 0.035688651
16500 100 2.5311864 2.5311864 1.3918694 0.032451265
16600 100 2.6471904 2.6471904 1.4481739 0.034763978
16700 100 2.7024085 2.7024085 1.4785065 0.037514299
16800 100 2.8116979 2.8116979 1.5403269 0.03585152
16900 100 2.9095374 2.9095374 1.5962283 0.038244982
17000 100 2.9228985 2.9228985 1.5978628 0.037971615
17100 100 2.983589 2.983589 1.6205713 0.038332341
17200 100 3.1245984 3.1245984 1.6925827 0.042532223
17300 100 3.1060575 3.1060575 1.6713928 0.052589575
17400 100 3.2494904 3.2494904 1.7567188 0.044783721
17500 100 3.2313349 3.2313349 1.7549177 0.044959213
17600 100 3.3928412 3.3928412 1.822978 0.052512199
17700 100 3.3064729 3.3064729 1.7924768 0.046624738
17800 100 3.1907518 3.1907518 1.7406131 0.042864325
17900 100 3.0224556 3.0224556 1.6641648 0.040151025
18000 100 3.105271 3.105271 1.7045599 0.047137803
18100 100 3.0293425 3.0293425 1.6626024 0.04198758
18200 100 3.139773 3.139773 1.7310307 0.040137164
18300 100 2.9732894 2.9732894 1.6555933 0.03777758
18400 100 3.1250324 3.1250324 1.739812 0.038542298
18500 100 3.1687407 3.1687407 1.7593494 0.041591022
18600 100 3.2880821 3.2880821 1.8169373 0.042503015
18700 100 3.4877047 3.4877047 1.9049979 0.048156272
18800 100 3.7982973 3.7982973 2.055323 0.049805341
18900 100 3.9922267 3.9922267 2.1260665 0.062688073
19000 100 3.8620284 3.8620284 2.0652184 0.064418518
19100 100 3.8757665 3.8757665 2.0615465 0.058600317
19200 100 3.9425495 3.9425495 2.1030375 0.053714175
19300 100 3.8589133 3.8589133 2.0485568 0.05531747
19400 100 3.9202395 3.9202395 2.0904529 0.056324297
19500 100 3.9748628 3.9748628 2.1114492 0.055590699
19600 100 3.8876771 3.8876771 2.0918436 0.052415532
19700 100 3.8975921 3.8975921 2.0755799 0.050647718
19800 100 3.7488333 3.7488333 2.0024562 0.056966734
19900 100 3.7818574 3.7818574 2.00915 0.050079148
20000 100 3.4510736 3.4510736 1.8525818 0.053548452
Loop time of 0.156607 on 4 procs for 5000 steps with 100 atoms
Performance: 13792452.627 tau/day, 31926.974 timesteps/s
98.5% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.0030923 | 0.0049732 | 0.0071678 | 2.1 | 3.18
Neigh | 0.012225 | 0.015592 | 0.017859 | 1.7 | 9.96
Comm | 0.034876 | 0.037526 | 0.040807 | 1.1 | 23.96
Output | 0.0013812 | 0.0015668 | 0.0017419 | 0.3 | 1.00
Modify | 0.026932 | 0.044011 | 0.054787 | 5.0 | 28.10
Other | | 0.05294 | | | 33.80
Nlocal: 25 ave 41 max 12 min
Histogram: 1 0 0 1 1 0 0 0 0 1
Nghost: 3.25 ave 6 max 1 min
Histogram: 1 0 1 0 0 0 1 0 0 1
Neighs: 35.75 ave 59 max 9 min
Histogram: 1 0 0 0 0 1 1 0 0 1
Total # of neighbors = 143
Ave neighs/atom = 1.43
Neighbor list builds = 917
Dangerous builds = 0
region container delete
region container block -6 6 -6 6 -6 6 units box
run 5000
Memory usage per processor = 5.16122 Mbytes
Step Atoms Temp c_1 c_2 Press
20000 100 3.4510736 3.4510736 1.8525818 0.053182767
20100 100 0.99241675 0.99241675 0.61590164 0.015233656
20200 100 0.92799489 0.92799489 0.55540992 0.011885237
20300 100 0.9171573 0.9171573 0.54477252 0.012926388
20400 100 0.86718407 0.86718407 0.5145422 0.011384414
20500 100 0.84470122 0.84470122 0.50181203 0.010482207
20600 100 0.93025469 0.93025469 0.53939952 0.011377044
20700 100 0.96631348 0.96631348 0.55772027 0.015287231
20800 100 0.90708015 0.90708015 0.52037018 0.014854537
20900 100 0.73319001 0.73319001 0.42824847 0.0092980012
21000 100 0.3371096 0.3371096 0.21272171 0.0061783554
21100 100 0.21771022 0.21771022 0.14128887 0.0082147558
21200 100 0.18133275 0.18133275 0.11945636 0.0055722731
21300 100 0.17117199 0.17117199 0.11048263 0.0027980106
21400 100 0.15741047 0.15741047 0.10346676 0.0023057723
21500 100 0.10045855 0.10045855 0.069905343 0.0023941181
21600 100 0.066094864 0.066094864 0.051285108 0.0022519002
21700 100 0.048622069 0.048622069 0.040662255 0.00073951939
21800 100 0.046829799 0.046829799 0.037431722 0.0015913976
21900 100 0.025308514 0.025308514 0.02092076 0.00064225773
22000 100 0.016326886 0.016326886 0.013588504 0.00087416572
22100 100 0.011892981 0.011892981 0.010417133 0.00080132313
22200 100 0.011974602 0.011974602 0.010342276 0.00044437732
22300 100 0.012567486 0.012567486 0.010294969 0.00048413872
22400 100 0.011676022 0.011676022 0.0091714238 0.00066567365
22500 100 0.0098737136 0.0098737136 0.0079252142 0.00024081335
22600 100 0.0052495523 0.0052495523 0.0047802341 0.00029167814
22700 100 0.0049396543 0.0049396543 0.0043570686 0.00019793167
22800 100 0.004469254 0.004469254 0.0038657445 0.00052965165
22900 100 0.0043837877 0.0043837877 0.0034611363 0.00045595698
23000 100 0.003439309 0.003439309 0.0028031344 0.00025784869
23100 100 0.0034805091 0.0034805091 0.0027537344 0.00012746906
23200 100 0.0045502061 0.0045502061 0.0032298328 0.00024006432
23300 100 0.0028553043 0.0028553043 0.0023107483 0.00012803066
23400 100 0.0022736412 0.0022736412 0.0018560302 0.0002706771
23500 100 0.0020966521 0.0020966521 0.0017106541 0.00014239612
23600 100 0.0018760993 0.0018760993 0.0015415318 0.00010892634
23700 100 0.0022362451 0.0022362451 0.0017014519 0.00012547256
23800 100 0.0017603403 0.0017603403 0.0014681398 0.00023372731
23900 100 0.0023396747 0.0023396747 0.0016700312 0.00017014305
24000 100 0.0012059144 0.0012059144 0.0009982224 3.6215959e-05
24100 100 0.0011739433 0.0011739433 0.00097155852 3.6169918e-05
24200 100 0.0011071139 0.0011071139 0.00092095478 8.8000847e-05
24300 100 0.0011078659 0.0011078659 0.00092073833 4.8706222e-05
24400 100 0.0011037562 0.0011037562 0.00091673546 3.7548502e-05
24500 100 0.00098422752 0.00098422752 0.00083054499 9.1151844e-05
24600 100 0.00097403646 0.00097403646 0.00082364881 5.0914687e-05
24700 100 0.00093082012 0.00093082012 0.00079047801 3.2230016e-05
24800 100 0.0009138973 0.0009138973 0.00075880177 2.8780789e-05
24900 100 0.0012881027 0.0012881027 0.00093025416 1.6385252e-05
25000 100 0.00076099168 0.00076099168 0.00065175575 9.417272e-06
Loop time of 0.0846543 on 4 procs for 5000 steps with 100 atoms
Performance: 25515528.493 tau/day, 59063.723 timesteps/s
98.9% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.0010469 | 0.0037468 | 0.0067947 | 4.3 | 4.43
Neigh | 0.0032442 | 0.0047541 | 0.0065064 | 2.0 | 5.62
Comm | 0.0085762 | 0.016923 | 0.024509 | 5.8 | 19.99
Output | 0.0011523 | 0.0014572 | 0.0016789 | 0.6 | 1.72
Modify | 0.0017715 | 0.016296 | 0.031399 | 11.1 | 19.25
Other | | 0.04148 | | | 49.00
Nlocal: 25 ave 50 max 0 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost: 6 ave 13 max 0 min
Histogram: 2 0 0 0 0 0 0 0 1 1
Neighs: 39 ave 80 max 0 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Total # of neighbors = 156
Ave neighs/atom = 1.56
Neighbor list builds = 284
Dangerous builds = 0
Total wall time: 0:00:00
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