forked from lijiext/lammps
469 lines
25 KiB
Groff
469 lines
25 KiB
Groff
LAMMPS (5 Oct 2016)
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# pouring spheres into container box
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units lj
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atom_style sphere
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boundary f f f
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dimension 3
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comm_modify vel yes
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region box block -10 10 -10 10 -10 10 units box
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create_box 2 box
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Created orthogonal box = (-10 -10 -10) to (10 10 10)
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1 by 2 by 2 MPI processor grid
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pair_style hybrid gran/hooke 4000.0 NULL 100.0 NULL 0.5 1
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pair_coeff * * gran/hooke
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region container block -6 6 -6 6 -6 6 units box
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fix container all wall/gran/region hooke/history 4000.0 NULL 100.0 NULL 0.5 1 region container
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neighbor 0.3 bin
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neigh_modify delay 0 every 1 check yes
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fix 2 all nve/sphere
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fix 3 all gravity 1.0 vector 0 0 -1
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region slab block -2 2 -2 2 -2 2 units box
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fix ins all pour 100 2 4767548 vol 0.4 10 diam one 1.0 region slab ignore
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Particle insertion: 48 every 566 steps, 100 by step 1133
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timestep 0.005
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compute 1 all temp
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compute_modify 1 dynamic yes
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compute 2 all temp/sphere
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compute_modify 2 dynamic yes
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thermo 100
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thermo_style custom step atoms temp c_1 c_2 press
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thermo_modify lost ignore
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compute_modify thermo_temp dynamic yes
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#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
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#dump_modify 2 pad 5
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run 5000
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Neighbor list info ...
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1 neighbor list requests
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update every 1 steps, delay 0 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 1.3
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ghost atom cutoff = 1.3
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binsize = 0.65 -> bins = 31 31 31
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Memory usage per processor = 0.0990257 Mbytes
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Step Atoms Temp c_1 c_2 Press
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0 0 0 0 0 0
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100 21 0.54270729 0.54270729 0.26473526 0.0013567682
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200 21 0.87606961 0.87606961 0.42735103 0.002190174
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300 21 1.1428374 1.1428374 0.55748167 0.0028570936
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400 21 1.3543103 1.3543103 0.66829516 0.0033857758
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500 21 1.0677786 1.0677786 0.53582407 0.0045048164
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600 56 0.6744286 0.6744286 0.3502938 0.0047464584
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700 56 0.75569283 0.75569283 0.39779462 0.0051953882
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800 56 0.61597505 0.61597505 0.32943642 0.0086022783
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900 56 0.65260802 0.65260802 0.34474044 0.0059298996
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1000 56 0.51624952 0.51624952 0.28326898 0.0067827337
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1100 56 0.46050076 0.46050076 0.25656319 0.0061891094
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1200 81 0.39112377 0.39112377 0.21690744 0.0086559347
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1300 81 0.33302801 0.33302801 0.19110222 0.0033381288
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1400 81 0.39333146 0.39333146 0.21220965 0.0041348597
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1500 81 0.35493951 0.35493951 0.19924958 0.00373736
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1600 81 0.34154491 0.34154491 0.19031147 0.005349672
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1700 100 0.25598828 0.25598828 0.14171498 0.0092236643
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1800 100 0.2114074 0.2114074 0.12162965 0.0027213483
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1900 100 0.21810423 0.21810423 0.12176698 0.0036436054
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2000 100 0.2553198 0.2553198 0.13900087 0.0032844518
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2100 100 0.24809936 0.24809936 0.13753654 0.0088764777
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2200 100 0.22455625 0.22455625 0.12500973 0.0043515755
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2300 100 0.19586871 0.19586871 0.11064996 0.0055176298
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2400 100 0.059621411 0.059621411 0.045535517 0.00079910861
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2500 100 0.052217518 0.052217518 0.038542594 0.0009759424
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2600 100 0.036907358 0.036907358 0.027550263 0.0014047668
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2700 100 0.027926944 0.027926944 0.020599405 0.00063362027
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2800 100 0.020876282 0.020876282 0.015385856 0.00066161626
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2900 100 0.010390963 0.010390963 0.0085038611 0.00026222195
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3000 100 0.0080105974 0.0080105974 0.006995365 0.00059521652
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3100 100 0.0087388005 0.0087388005 0.0069051613 0.00028045343
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3200 100 0.0078828927 0.0078828927 0.0060159861 0.00014819289
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3300 100 0.0039336821 0.0039336821 0.0036525886 0.0001439482
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3400 100 0.0037684472 0.0037684472 0.0031531439 0.00010653386
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3500 100 0.0023527874 0.0023527874 0.0020983632 6.3797052e-05
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3600 100 0.0018768162 0.0018768162 0.0017248798 0.00014904114
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3700 100 0.00135595 0.00135595 0.0013962044 6.2461444e-05
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3800 100 0.0012673777 0.0012673777 0.0013074364 0.00028034063
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3900 100 0.00081311806 0.00081311806 0.00095642595 7.9543605e-05
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4000 100 0.00059774673 0.00059774673 0.00074849615 6.8190201e-05
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4100 100 0.00052811986 0.00052811986 0.00067263919 5.012633e-05
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4200 100 0.00049555855 0.00049555855 0.00061736675 4.9888372e-05
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4300 100 0.00048274473 0.00048274473 0.00059050389 5.1381757e-05
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4400 100 0.00047341333 0.00047341333 0.00058083446 5.02623e-05
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4500 100 0.00046792237 0.00046792237 0.00057416894 4.9019652e-05
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4600 100 0.00046035378 0.00046035378 0.00056694823 6.0353699e-05
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4700 100 0.00038114933 0.00038114933 0.0004980117 6.5173515e-05
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4800 100 0.0003783967 0.0003783967 0.00049488428 4.8463898e-05
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4900 100 0.00027940611 0.00027940611 0.00041517649 5.0979155e-05
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5000 100 0.00026071989 0.00026071989 0.00040045214 5.151673e-05
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Loop time of 0.0799825 on 4 procs for 5000 steps with 100 atoms
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Performance: 27005901.076 tau/day, 62513.660 timesteps/s
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96.6% CPU use with 4 MPI tasks x no OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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Pair | 0.00093961 | 0.0032012 | 0.0054553 | 3.8 | 4.00
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Neigh | 0.0032456 | 0.0046872 | 0.0061908 | 2.0 | 5.86
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Comm | 0.014328 | 0.02121 | 0.029619 | 4.7 | 26.52
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Output | 0.0011828 | 0.0014142 | 0.0015574 | 0.4 | 1.77
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Modify | 0.002455 | 0.013876 | 0.026567 | 9.6 | 17.35
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Other | | 0.03559 | | | 44.50
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Nlocal: 25 ave 51 max 0 min
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Histogram: 2 0 0 0 0 0 0 0 0 2
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Nghost: 4.75 ave 11 max 0 min
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Histogram: 2 0 0 0 0 0 0 1 0 1
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Neighs: 39.5 ave 85 max 0 min
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Histogram: 2 0 0 0 0 0 0 0 1 1
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Total # of neighbors = 158
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Ave neighs/atom = 1.58
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Neighbor list builds = 305
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Dangerous builds = 0
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region container delete
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variable theta equal (step-5000)*(4.0*PI/5000)
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region container block -6 6 -6 6 -6 6 units box rotate v_theta 0 0 0 0 0 1
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run 5000
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Memory usage per processor = 5.16122 Mbytes
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Step Atoms Temp c_1 c_2 Press
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5000 100 0.00026071989 0.00026071989 0.00040045214 5.1497323e-05
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5100 100 0.66352492 0.66352492 0.35750241 0.015948709
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5200 100 0.6922229 0.6922229 0.37176131 0.011025479
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5300 100 0.76307067 0.76307067 0.40325027 0.010979511
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5400 100 0.83871418 0.83871418 0.43756084 0.012600965
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5500 100 0.93090048 0.93090048 0.4817574 0.012306942
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5600 100 0.98338567 0.98338567 0.50374148 0.015434412
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5700 100 1.0455442 1.0455442 0.53265847 0.017959409
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5800 100 1.1081511 1.1081511 0.56112842 0.018832417
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5900 100 1.1724309 1.1724309 0.59276447 0.019257973
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6000 100 1.1914813 1.1914813 0.60201665 0.019694573
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6100 100 1.2417733 1.2417733 0.62578893 0.019616524
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6200 100 1.2612898 1.2612898 0.63503847 0.020442394
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6300 100 1.2657345 1.2657345 0.63714395 0.020498843
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6400 100 1.2678009 1.2678009 0.63828941 0.019900919
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6500 100 1.284156 1.284156 0.64724666 0.020147256
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6600 100 1.3090278 1.3090278 0.65925035 0.02136883
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6700 100 1.3122075 1.3122075 0.66136807 0.020782325
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6800 100 1.3147107 1.3147107 0.66026206 0.022887611
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6900 100 1.3185295 1.3185295 0.66157265 0.021249838
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7000 100 1.3232771 1.3232771 0.66334852 0.021738995
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7100 100 1.3375003 1.3375003 0.67017176 0.021997185
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7200 100 1.3349835 1.3349835 0.66895884 0.022149977
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7300 100 1.3388711 1.3388711 0.67061163 0.021662545
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7400 100 1.338676 1.338676 0.67074642 0.021076102
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7500 100 1.3409052 1.3409052 0.67205098 0.021664853
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7600 100 1.3499236 1.3499236 0.67612412 0.021653422
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7700 100 1.3479719 1.3479719 0.67510646 0.021873569
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7800 100 1.3489138 1.3489138 0.67563223 0.021419315
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7900 100 1.357018 1.357018 0.6795804 0.022201202
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8000 100 1.3540513 1.3540513 0.67843711 0.02275761
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8100 100 1.3560429 1.3560429 0.67947065 0.022421723
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8200 100 1.3590694 1.3590694 0.6806094 0.022004213
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8300 100 1.3592154 1.3592154 0.68083948 0.021923269
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8400 100 1.3601392 1.3601392 0.68121418 0.022155184
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8500 100 1.3622149 1.3622149 0.6824182 0.022126924
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8600 100 1.3651697 1.3651697 0.68397342 0.022195287
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8700 100 1.3679254 1.3679254 0.68540978 0.023609651
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8800 100 1.3686254 1.3686254 0.68559712 0.02242291
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8900 100 1.3761277 1.3761277 0.68897201 0.023594162
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9000 100 1.379968 1.379968 0.69045216 0.022516846
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9100 100 1.3784732 1.3784732 0.68955121 0.022836115
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9200 100 1.376848 1.376848 0.6885551 0.02279321
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9300 100 1.3799231 1.3799231 0.68964009 0.023105818
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9400 100 1.3817992 1.3817992 0.69057466 0.023062265
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9500 100 1.3836544 1.3836544 0.69156755 0.024363244
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9600 100 1.388032 1.388032 0.69348762 0.024930983
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9700 100 1.3943738 1.3943738 0.6965703 0.024448451
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9800 100 1.3963094 1.3963094 0.6971039 0.02341203
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9900 100 1.3995489 1.3995489 0.69881652 0.023502542
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10000 100 1.3974742 1.3974742 0.69765474 0.02340004
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Loop time of 0.18267 on 4 procs for 5000 steps with 100 atoms
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Performance: 11824571.055 tau/day, 27371.692 timesteps/s
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99.1% CPU use with 4 MPI tasks x no OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0.0010765 | 0.012038 | 0.023519 | 9.9 | 6.59
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Neigh | 0.0057316 | 0.010541 | 0.015351 | 4.6 | 5.77
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Comm | 0.0067229 | 0.017007 | 0.028509 | 7.8 | 9.31
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Output | 0.0011928 | 0.002021 | 0.0027668 | 1.6 | 1.11
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Modify | 0.009697 | 0.053707 | 0.098413 | 19.0 | 29.40
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Other | | 0.08736 | | | 47.82
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Nlocal: 25 ave 51 max 0 min
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Histogram: 2 0 0 0 0 0 0 0 0 2
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Nghost: 3.25 ave 8 max 0 min
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Histogram: 2 0 0 0 0 0 1 0 0 1
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Neighs: 46.75 ave 104 max 0 min
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Histogram: 2 0 0 0 0 0 0 1 0 1
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Total # of neighbors = 187
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Ave neighs/atom = 1.87
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Neighbor list builds = 633
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Dangerous builds = 0
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region container delete
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region container block -6 6 -6 6 -6 6 units box
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run 5000
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Memory usage per processor = 5.16122 Mbytes
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Step Atoms Temp c_1 c_2 Press
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10000 100 1.3974742 1.3974742 0.69765474 0.023347613
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10100 100 0.34944285 0.34944285 0.20251378 0.019176827
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10200 100 0.22524385 0.22524385 0.14368424 0.0033260831
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10300 100 0.15243438 0.15243438 0.11070165 0.0064816535
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10400 100 0.1143586 0.1143586 0.087867032 0.0024091961
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10500 100 0.092025102 0.092025102 0.071291506 0.0030683413
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10600 100 0.071051442 0.071051442 0.05700858 0.00100243
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10700 100 0.058346771 0.058346771 0.04843626 0.0006073275
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10800 100 0.048700232 0.048700232 0.039550383 0.00091511006
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10900 100 0.036880936 0.036880936 0.029482183 0.0011698854
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11000 100 0.028768807 0.028768807 0.023865852 0.0011980794
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11100 100 0.022823005 0.022823005 0.018819891 0.0004639259
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11200 100 0.016954703 0.016954703 0.014075803 0.00085142865
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11300 100 0.015359685 0.015359685 0.01295219 0.00026241662
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11400 100 0.012748378 0.012748378 0.011085291 0.00045626939
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11500 100 0.010464459 0.010464459 0.0087024732 0.00029325411
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11600 100 0.0099186727 0.0099186727 0.0080127406 0.00031388584
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11700 100 0.0088308874 0.0088308874 0.0072317369 0.00017850972
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11800 100 0.0081740195 0.0081740195 0.0066522963 0.00012282618
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11900 100 0.0079005289 0.0079005289 0.0063346391 0.00010630403
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12000 100 0.0066277573 0.0066277573 0.0054122601 5.4791661e-05
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12100 100 0.00567928 0.00567928 0.0047331385 9.2668647e-05
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12200 100 0.005282803 0.005282803 0.0043827202 8.7820361e-05
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12300 100 0.0051590302 0.0051590302 0.0042806737 6.5433983e-05
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12400 100 0.0049013329 0.0049013329 0.0040882737 6.2007733e-05
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12500 100 0.0044725745 0.0044725745 0.0037535523 6.1132729e-05
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12600 100 0.0043131884 0.0043131884 0.0035845765 5.3375706e-05
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12700 100 0.0042020236 0.0042020236 0.0034902096 0.0001192142
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12800 100 0.0041367453 0.0041367453 0.003433341 0.00011052418
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12900 100 0.0039862367 0.0039862367 0.0033026224 5.2674711e-05
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13000 100 0.0033163769 0.0033163769 0.0028118123 5.9042575e-05
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13100 100 0.0030645983 0.0030645983 0.002571872 4.9521551e-05
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13200 100 0.002808301 0.002808301 0.0023652684 3.4748246e-05
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13300 100 0.002556475 0.002556475 0.0021699595 0.00042840611
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13400 100 0.0023430405 0.0023430405 0.0019913198 2.2687303e-05
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13500 100 0.0021422817 0.0021422817 0.0018017112 -6.7761855e-06
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13600 100 0.0020993702 0.0020993702 0.001749657 2.5979707e-05
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13700 100 0.0019871396 0.0019871396 0.0016647634 5.754995e-05
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13800 100 0.0017311886 0.0017311886 0.0014696399 2.1585018e-05
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13900 100 0.0016249641 0.0016249641 0.0013982224 2.0108931e-05
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14000 100 0.0015874763 0.0015874763 0.0013613318 0.00018348921
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14100 100 0.0013772541 0.0013772541 0.0012193388 1.9336869e-05
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14200 100 0.0013587865 0.0013587865 0.0012054213 1.807845e-05
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14300 100 0.0011824329 0.0011824329 0.0010348168 0.00017307518
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14400 100 0.0011387278 0.0011387278 0.0010010725 1.4091757e-05
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14500 100 0.0010441599 0.0010441599 0.00092205881 1.3630652e-05
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14600 100 0.00096839518 0.00096839518 0.00086828535 1.2437299e-05
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14700 100 0.00094215882 0.00094215882 0.00084418599 5.3989122e-05
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14800 100 0.00077297853 0.00077297853 0.00070382005 8.5049867e-06
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14900 100 0.00072181281 0.00072181281 0.00066110432 8.9324335e-06
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15000 100 0.00070122327 0.00070122327 0.00063826734 3.4876262e-05
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Loop time of 0.0815294 on 4 procs for 5000 steps with 100 atoms
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Performance: 26493517.176 tau/day, 61327.586 timesteps/s
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97.8% CPU use with 4 MPI tasks x no OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0.00076294 | 0.0033154 | 0.0062585 | 4.3 | 4.07
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Neigh | 0.0010953 | 0.0020078 | 0.002914 | 2.0 | 2.46
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Comm | 0.0021389 | 0.012184 | 0.023433 | 9.1 | 14.94
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Output | 0.0011332 | 0.0014591 | 0.0017147 | 0.7 | 1.79
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Modify | 0.00083971 | 0.017889 | 0.035367 | 12.7 | 21.94
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Other | | 0.04467 | | | 54.79
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Nlocal: 25 ave 54 max 0 min
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Histogram: 2 0 0 0 0 0 0 0 1 1
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Nghost: 3.75 ave 8 max 0 min
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Histogram: 2 0 0 0 0 0 0 0 1 1
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Neighs: 37.5 ave 97 max 0 min
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Histogram: 2 0 0 0 0 1 0 0 0 1
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Total # of neighbors = 150
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Ave neighs/atom = 1.5
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Neighbor list builds = 120
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Dangerous builds = 0
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region container delete
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variable theta equal (step-15000)*(4.0*PI/5000)
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region container block -6 6 -6 6 -6 6 units box rotate v_theta 0 0 0 1 1 1
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run 5000
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Memory usage per processor = 5.16122 Mbytes
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Step Atoms Temp c_1 c_2 Press
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15000 100 0.00070122327 0.00070122327 0.00063826734 3.4742207e-05
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15100 100 1.1981004 1.1981004 0.74046013 0.017300203
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15200 100 1.2197457 1.2197457 0.75847511 0.016724637
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15300 100 1.1794198 1.1794198 0.77076582 0.017228755
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15400 100 1.4027714 1.4027714 0.87950036 0.021028602
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15500 100 1.5514702 1.5514702 0.95040716 0.019935207
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15600 100 1.8360404 1.8360404 1.0987247 0.02494663
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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
|