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 1 by 1 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 = 0.201172 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 0.0036436034
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2000 100 0.2553198 0.2553198 0.13900087 0.0032844504
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2100 100 0.24809937 0.24809937 0.13753654 0.0088764373
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2200 100 0.22455642 0.22455642 0.12500977 0.0043517009
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2300 100 0.19586874 0.19586874 0.11064996 0.0055178814
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2400 100 0.059619074 0.059619074 0.045535036 0.00079051539
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2500 100 0.052222462 0.052222462 0.038563852 0.00098981299
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2600 100 0.036930777 0.036930777 0.027579114 0.0012285499
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2700 100 0.027937818 0.027937818 0.020587353 0.00063085447
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2800 100 0.02103783 0.02103783 0.015469157 0.00050316582
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2900 100 0.010408128 0.010408128 0.0084894275 0.00035440391
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3000 100 0.0077664382 0.0077664382 0.0068149074 0.0011153614
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3100 100 0.0088789208 0.0088789208 0.0070143391 0.00032679783
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3200 100 0.0077683432 0.0077683432 0.0059711038 0.00044762363
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3300 100 0.00411 0.00411 0.00372409 0.00015328221
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3400 100 0.0039192171 0.0039192171 0.0032409072 9.3603399e-05
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3500 100 0.0023532199 0.0023532199 0.0020924799 0.00049044152
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3600 100 0.0022544513 0.0022544513 0.0019545724 8.1086108e-05
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3700 100 0.0012696379 0.0012696379 0.0013134108 5.0058058e-05
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3800 100 0.0012035225 0.0012035225 0.0012490584 6.0331967e-05
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3900 100 0.00080361803 0.00080361803 0.00094424552 6.7229227e-05
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4000 100 0.00060715659 0.00060715659 0.00076521759 6.7029916e-05
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4100 100 0.00058510487 0.00058510487 0.00073844578 5.5867098e-05
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4200 100 0.00046832309 0.00046832309 0.00060848748 5.3853715e-05
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4300 100 0.00045207186 0.00045207186 0.00057825336 4.8367831e-05
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4400 100 0.00041874845 0.00041874845 0.00053103589 8.666037e-05
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4500 100 0.00041136295 0.00041136295 0.00052246056 6.0456585e-05
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4600 100 0.00041021147 0.00041021147 0.0005190668 4.8701604e-05
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4700 100 0.00037176253 0.00037176253 0.00049156279 5.8874891e-05
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4800 100 0.0003262417 0.0003262417 0.00045551846 5.0610728e-05
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4900 100 0.00028093583 0.00028093583 0.00042099654 4.6558605e-05
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5000 100 0.00027730599 0.00027730599 0.00041664922 4.7053044e-05
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Loop time of 0.081454 on 1 procs for 5000 steps with 100 atoms
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Performance: 26518022.146 tau/day, 61384.311 timesteps/s
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99.4% CPU use with 1 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 | 0.0085223 | 0.0085223 | 0.0085223 | 0.0 | 10.46
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Neigh | 0.01466 | 0.01466 | 0.01466 | 0.0 | 18.00
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Comm | 0.00076532 | 0.00076532 | 0.00076532 | 0.0 | 0.94
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Output | 0.00052285 | 0.00052285 | 0.00052285 | 0.0 | 0.64
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Modify | 0.05317 | 0.05317 | 0.05317 | 0.0 | 65.28
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Other | | 0.003814 | | | 4.68
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Nlocal: 100 ave 100 max 100 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 0 ave 0 max 0 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 158 ave 158 max 158 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 158
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Ave neighs/atom = 1.58
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Neighbor list builds = 306
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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 = 5.26337 Mbytes
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Step Atoms Temp c_1 c_2 Press
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5000 100 0.00027730599 0.00027730599 0.00041664922 4.705763e-05
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5100 100 0.60717077 0.60717077 0.33118944 0.010686501
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5200 100 0.64991179 0.64991179 0.35498767 0.011370453
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5300 100 0.72038713 0.72038713 0.38745069 0.010507667
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5400 100 0.81357499 0.81357499 0.42946808 0.012920419
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5500 100 0.90488411 0.90488411 0.46803321 0.015077428
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5600 100 0.99065617 0.99065617 0.50811954 0.015556572
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5700 100 1.0701203 1.0701203 0.54641187 0.016464366
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5800 100 1.1351242 1.1351242 0.57607707 0.017832476
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5900 100 1.1883602 1.1883602 0.60022389 0.019571838
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6000 100 1.2153421 1.2153421 0.61245652 0.020549414
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6100 100 1.2369293 1.2369293 0.62229634 0.01827529
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6200 100 1.2556883 1.2556883 0.63207905 0.020286322
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6300 100 1.2618555 1.2618555 0.63610311 0.019844583
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6400 100 1.2671678 1.2671678 0.63873131 0.019817249
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6500 100 1.2875312 1.2875312 0.64728693 0.020097362
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6600 100 1.3014055 1.3014055 0.65413071 0.020000886
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6700 100 1.2904021 1.2904021 0.6485358 0.020009625
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6800 100 1.2962767 1.2962767 0.65088367 0.021340143
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6900 100 1.3056081 1.3056081 0.65490644 0.020455771
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7000 100 1.3116731 1.3116731 0.65766216 0.020475061
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7100 100 1.319457 1.319457 0.66105016 0.020937651
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7200 100 1.3213585 1.3213585 0.66207982 0.02120792
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7300 100 1.3232411 1.3232411 0.66392391 0.021040683
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7400 100 1.3300163 1.3300163 0.66599805 0.021202273
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7500 100 1.3350122 1.3350122 0.66894534 0.021161833
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7600 100 1.3344633 1.3344633 0.6688403 0.020871936
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7700 100 1.3492825 1.3492825 0.6751371 0.021415859
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7800 100 1.3539647 1.3539647 0.67757279 0.021306442
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7900 100 1.3527157 1.3527157 0.67722774 0.021793531
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8000 100 1.3526931 1.3526931 0.67713399 0.022973395
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8100 100 1.3568279 1.3568279 0.67936578 0.021422428
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8200 100 1.3599258 1.3599258 0.68113142 0.021397012
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8300 100 1.3601893 1.3601893 0.68165656 0.021643375
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8400 100 1.3752164 1.3752164 0.68788213 0.022208765
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8500 100 1.3821458 1.3821458 0.69165274 0.022015877
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8600 100 1.3784691 1.3784691 0.68964478 0.022144188
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8700 100 1.3801422 1.3801422 0.6904093 0.0220402
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8800 100 1.3900051 1.3900051 0.6947875 0.02216362
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8900 100 1.3897902 1.3897902 0.69427134 0.023078569
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9000 100 1.3909918 1.3909918 0.69456955 0.022043699
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9100 100 1.3925028 1.3925028 0.69519141 0.022180156
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9200 100 1.3923277 1.3923277 0.69512657 0.022113729
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9300 100 1.3945193 1.3945193 0.69625374 0.022344694
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9400 100 1.3960782 1.3960782 0.69705144 0.022181158
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9500 100 1.3932407 1.3932407 0.69560365 0.022129998
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9600 100 1.3925489 1.3925489 0.69532399 0.022124653
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9700 100 1.3935299 1.3935299 0.69581607 0.022258368
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9800 100 1.3933949 1.3933949 0.69579137 0.022209028
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9900 100 1.3934712 1.3934712 0.69587898 0.022214942
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10000 100 1.3935828 1.3935828 0.69598655 0.022231414
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Loop time of 0.261407 on 1 procs for 5000 steps with 100 atoms
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Performance: 8262972.563 tau/day, 19127.251 timesteps/s
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99.8% CPU use with 1 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 | 0.042233 | 0.042233 | 0.042233 | 0.0 | 16.16
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Neigh | 0.035131 | 0.035131 | 0.035131 | 0.0 | 13.44
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Comm | 0.0010462 | 0.0010462 | 0.0010462 | 0.0 | 0.40
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Output | 0.00051785 | 0.00051785 | 0.00051785 | 0.0 | 0.20
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Modify | 0.17687 | 0.17687 | 0.17687 | 0.0 | 67.66
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Other | | 0.00561 | | | 2.15
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Nlocal: 100 ave 100 max 100 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 0 ave 0 max 0 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 187 ave 187 max 187 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 187
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Ave neighs/atom = 1.87
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Neighbor list builds = 634
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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 = 5.26337 Mbytes
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Step Atoms Temp c_1 c_2 Press
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10000 100 1.3935828 1.3935828 0.69598655 0.02230659
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10100 100 0.3402861 0.3402861 0.19584226 0.014767914
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10200 100 0.19064555 0.19064555 0.12536788 0.0025413789
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10300 100 0.13281358 0.13281358 0.10275768 0.002843208
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10400 100 0.10124671 0.10124671 0.077914135 0.0017745353
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10500 100 0.082636734 0.082636734 0.063857622 0.001419336
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10600 100 0.066744462 0.066744462 0.051927437 0.0010830674
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10700 100 0.060778462 0.060778462 0.047461784 0.0011418844
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10800 100 0.043437178 0.043437178 0.032805669 0.0017050393
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10900 100 0.036483219 0.036483219 0.027387805 0.00086936813
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11000 100 0.027639076 0.027639076 0.021221241 0.00054920607
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11100 100 0.023614696 0.023614696 0.018445634 0.00058724552
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11200 100 0.020103248 0.020103248 0.015933089 0.00072830275
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11300 100 0.018645345 0.018645345 0.014559759 0.0002319388
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11400 100 0.015499672 0.015499672 0.01248828 0.00036020862
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11500 100 0.013421296 0.013421296 0.010743248 0.00043093929
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11600 100 0.011214892 0.011214892 0.0089653924 0.00059789544
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11700 100 0.0086660806 0.0086660806 0.0070563902 0.00029684573
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11800 100 0.0064777244 0.0064777244 0.0052946156 0.00046466386
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11900 100 0.0059360881 0.0059360881 0.0048568813 8.361561e-05
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12000 100 0.0045341025 0.0045341025 0.003883229 0.00016408047
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12100 100 0.0042504415 0.0042504415 0.0036944958 6.5005147e-05
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12200 100 0.0041367637 0.0041367637 0.0035928232 7.3025698e-05
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12300 100 0.0037700129 0.0037700129 0.003283398 6.381318e-05
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12400 100 0.0033494476 0.0033494476 0.0029274495 4.7731105e-05
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12500 100 0.0030903175 0.0030903175 0.0027068073 6.797313e-05
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12600 100 0.0026406999 0.0026406999 0.0023315387 0.0002371331
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12700 100 0.0025020713 0.0025020713 0.0022367855 4.2787276e-05
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12800 100 0.0022977381 0.0022977381 0.0020778307 3.9744567e-05
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12900 100 0.002039634 0.002039634 0.0018862012 0.00011669223
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13000 100 0.0018044702 0.0018044702 0.00171399 0.00013835538
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13100 100 0.0016600965 0.0016600965 0.0015553191 3.2320019e-05
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13200 100 0.0015596204 0.0015596204 0.001486374 1.9246911e-05
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13300 100 0.001316505 0.001316505 0.0012105249 9.1469679e-05
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13400 100 0.0012517536 0.0012517536 0.0011525753 4.815292e-05
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13500 100 0.0010827608 0.0010827608 0.001038339 2.0913017e-05
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13600 100 0.0009863908 0.0009863908 0.00095924929 9.7716736e-05
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13700 100 0.00094543599 0.00094543599 0.00092425645 1.378887e-05
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13800 100 0.00087893271 0.00087893271 0.00086801608 1.8981177e-05
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13900 100 0.00080241572 0.00080241572 0.0007930026 5.0987122e-05
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14000 100 0.00070705631 0.00070705631 0.00069238137 1.2900066e-05
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14100 100 0.0006525032 0.0006525032 0.000637991 0.00010838464
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14200 100 0.00059338444 0.00059338444 0.00057560454 7.3431324e-06
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14300 100 0.00058641228 0.00058641228 0.00056944735 7.256852e-06
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14400 100 0.00056221112 0.00056221112 0.00054625666 8.1343426e-06
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14500 100 0.00055493127 0.00055493127 0.00053957583 1.1713058e-05
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14600 100 0.00052854921 0.00052854921 0.00051816618 8.6527225e-06
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14700 100 0.00052630581 0.00052630581 0.00051584277 6.4890475e-06
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14800 100 0.00052563819 0.00052563819 0.00051493123 1.2687153e-05
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14900 100 0.00052131364 0.00052131364 0.00050917244 7.4589995e-08
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15000 100 0.00051902191 0.00051902191 0.00050725364 6.4228962e-06
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Loop time of 0.0895741 on 1 procs for 5000 steps with 100 atoms
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Performance: 24114113.723 tau/day, 55819.708 timesteps/s
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99.3% CPU use with 1 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 | 0.0098987 | 0.0098987 | 0.0098987 | 0.0 | 11.05
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Neigh | 0.0061045 | 0.0061045 | 0.0061045 | 0.0 | 6.81
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Comm | 0.00069976 | 0.00069976 | 0.00069976 | 0.0 | 0.78
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Output | 0.00049758 | 0.00049758 | 0.00049758 | 0.0 | 0.56
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Modify | 0.068435 | 0.068435 | 0.068435 | 0.0 | 76.40
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Other | | 0.003939 | | | 4.40
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Nlocal: 100 ave 100 max 100 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 0 ave 0 max 0 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 160 ave 160 max 160 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 160
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Ave neighs/atom = 1.6
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Neighbor list builds = 111
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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 = 5.26337 Mbytes
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Step Atoms Temp c_1 c_2 Press
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15000 100 0.00051902191 0.00051902191 0.00050725364 6.4228962e-06
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15100 100 1.1235353 1.1235353 0.72003773 0.013686681
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15200 100 1.0778556 1.0778556 0.69137925 0.013478363
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15300 100 1.069015 1.069015 0.69798184 0.014165255
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15400 100 1.2249943 1.2249943 0.79096059 0.020933395
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15500 100 1.5225664 1.5225664 0.94822282 0.023932611
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15600 100 1.5867194 1.5867194 0.98143504 0.024565132
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15700 100 1.6595267 1.6595267 1.0203985 0.025152432
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15800 100 1.8188027 1.8188027 1.0857586 0.031597641
|
|
15900 100 1.9234102 1.9234102 1.1099361 0.032381895
|
|
16000 100 2.039435 2.039435 1.1656948 0.032501981
|
|
16100 100 2.17315 2.17315 1.2265552 0.032675825
|
|
16200 100 2.2017279 2.2017279 1.23995 0.028634878
|
|
16300 100 2.3510902 2.3510902 1.3055642 0.03248003
|
|
16400 100 2.373932 2.373932 1.3059254 0.031292969
|
|
16500 100 2.5010862 2.5010862 1.3607219 0.032322054
|
|
16600 100 2.4815092 2.4815092 1.3524159 0.031223889
|
|
16700 100 2.6549226 2.6549226 1.4383508 0.033713507
|
|
16800 100 2.8087564 2.8087564 1.5261538 0.036598837
|
|
16900 100 2.8653588 2.8653588 1.5649123 0.035890231
|
|
17000 100 2.903748 2.903748 1.5907716 0.038038745
|
|
17100 100 2.9679376 2.9679376 1.6195577 0.051771432
|
|
17200 100 2.9632377 2.9632377 1.6233074 0.039825751
|
|
17300 100 3.0436883 3.0436883 1.6591248 0.042862982
|
|
17400 100 3.0969015 3.0969015 1.6811582 0.042104811
|
|
17500 100 3.0827135 3.0827135 1.691414 0.045839327
|
|
17600 100 3.0854805 3.0854805 1.689399 0.041770144
|
|
17700 100 3.07523 3.07523 1.6685518 0.045104715
|
|
17800 100 2.9610899 2.9610899 1.6349099 0.039060791
|
|
17900 100 2.8002989 2.8002989 1.5665223 0.037917927
|
|
18000 100 2.9139644 2.9139644 1.6206891 0.050841302
|
|
18100 100 3.0134757 3.0134757 1.6673916 0.040967255
|
|
18200 100 3.0731184 3.0731184 1.6777507 0.043503474
|
|
18300 100 3.0915242 3.0915242 1.6843452 0.040157898
|
|
18400 100 3.098896 3.098896 1.6904524 0.039629218
|
|
18500 100 3.1651814 3.1651814 1.7290259 0.042604953
|
|
18600 100 3.353247 3.353247 1.8236992 0.045132486
|
|
18700 100 3.540156 3.540156 1.9078363 0.046602063
|
|
18800 100 3.6395129 3.6395129 1.9578976 0.045659959
|
|
18900 100 3.7638134 3.7638134 2.0179445 0.051061068
|
|
19000 100 3.7603453 3.7603453 2.003355 0.057123184
|
|
19100 100 3.9218495 3.9218495 2.0968869 0.057671742
|
|
19200 100 3.9924222 3.9924222 2.1321955 0.051824898
|
|
19300 100 3.9690887 3.9690887 2.1270643 0.054832867
|
|
19400 100 3.9408481 3.9408481 2.1146593 0.057020024
|
|
19500 100 3.8313782 3.8313782 2.0610797 0.055164704
|
|
19600 100 3.8317496 3.8317496 2.0668123 0.049840804
|
|
19700 100 3.6068628 3.6068628 1.964227 0.05142407
|
|
19800 100 3.5477437 3.5477437 1.9314948 0.051076014
|
|
19900 100 3.6526881 3.6526881 1.9855353 0.047130029
|
|
20000 100 3.7243709 3.7243709 2.0380212 0.048446835
|
|
Loop time of 0.206397 on 1 procs for 5000 steps with 100 atoms
|
|
|
|
Performance: 10465265.522 tau/day, 24225.152 timesteps/s
|
|
100.3% CPU use with 1 MPI tasks x no OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 0.014297 | 0.014297 | 0.014297 | 0.0 | 6.93
|
|
Neigh | 0.050213 | 0.050213 | 0.050213 | 0.0 | 24.33
|
|
Comm | 0.0011115 | 0.0011115 | 0.0011115 | 0.0 | 0.54
|
|
Output | 0.00051141 | 0.00051141 | 0.00051141 | 0.0 | 0.25
|
|
Modify | 0.13415 | 0.13415 | 0.13415 | 0.0 | 65.00
|
|
Other | | 0.006114 | | | 2.96
|
|
|
|
Nlocal: 100 ave 100 max 100 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Nghost: 0 ave 0 max 0 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Neighs: 142 ave 142 max 142 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 142
|
|
Ave neighs/atom = 1.42
|
|
Neighbor list builds = 899
|
|
Dangerous builds = 0
|
|
|
|
region container delete
|
|
region container block -6 6 -6 6 -6 6 units box
|
|
run 5000
|
|
Memory usage per processor = 5.26337 Mbytes
|
|
Step Atoms Temp c_1 c_2 Press
|
|
20000 100 3.7243709 3.7243709 2.0380212 0.048156434
|
|
20100 100 1.1186527 1.1186527 0.69104385 0.014964891
|
|
20200 100 0.91445605 0.91445605 0.57005236 0.011324474
|
|
20300 100 0.8936601 0.8936601 0.55534411 0.011071843
|
|
20400 100 0.90773143 0.90773143 0.55999953 0.011254101
|
|
20500 100 0.91995508 0.91995508 0.55837916 0.011548541
|
|
20600 100 0.91682167 0.91682167 0.54095261 0.012563797
|
|
20700 100 0.97806337 0.97806337 0.56016442 0.012396925
|
|
20800 100 0.97778738 0.97778738 0.55606194 0.015441479
|
|
20900 100 0.77253213 0.77253213 0.44636799 0.011428992
|
|
21000 100 0.63053468 0.63053468 0.35995394 0.01005502
|
|
21100 100 0.25437539 0.25437539 0.16544433 0.004628738
|
|
21200 100 0.11828032 0.11828032 0.087911985 0.0037076362
|
|
21300 100 0.11219312 0.11219312 0.080957112 0.0015847347
|
|
21400 100 0.10765357 0.10765357 0.074676159 0.0022823419
|
|
21500 100 0.060787093 0.060787093 0.046135213 0.00091422949
|
|
21600 100 0.040447932 0.040447932 0.033050575 0.0013404194
|
|
21700 100 0.035227782 0.035227782 0.02916621 0.00138779
|
|
21800 100 0.03309101 0.03309101 0.026613861 0.00058184323
|
|
21900 100 0.031461843 0.031461843 0.024751985 0.0013090333
|
|
22000 100 0.021624144 0.021624144 0.017872639 0.0010893822
|
|
22100 100 0.016728267 0.016728267 0.01403934 0.00049128736
|
|
22200 100 0.016256915 0.016256915 0.013763903 0.00047288638
|
|
22300 100 0.01349256 0.01349256 0.011498343 0.0013508309
|
|
22400 100 0.010027007 0.010027007 0.0087924966 0.00030117996
|
|
22500 100 0.0107355 0.0107355 0.0088715062 0.001043188
|
|
22600 100 0.0095852245 0.0095852245 0.007965421 0.00028464236
|
|
22700 100 0.0072956464 0.0072956464 0.0062403843 0.00061636772
|
|
22800 100 0.0060874415 0.0060874415 0.0054788049 0.00021135824
|
|
22900 100 0.0059688159 0.0059688159 0.0049530273 0.00022094116
|
|
23000 100 0.0050218996 0.0050218996 0.0043518404 0.00022527705
|
|
23100 100 0.005022208 0.005022208 0.0043118432 0.00052482006
|
|
23200 100 0.0047096056 0.0047096056 0.0039698638 0.00026423471
|
|
23300 100 0.0039510068 0.0039510068 0.0034773285 0.0001891104
|
|
23400 100 0.0037308781 0.0037308781 0.0031763304 0.00027163016
|
|
23500 100 0.0036278619 0.0036278619 0.0030371899 0.00017961072
|
|
23600 100 0.0033598677 0.0033598677 0.0027586323 0.00015034494
|
|
23700 100 0.0028530843 0.0028530843 0.0024809444 0.00012294415
|
|
23800 100 0.0025388819 0.0025388819 0.0022812799 0.00018946676
|
|
23900 100 0.0021129272 0.0021129272 0.0019905358 0.00015816903
|
|
24000 100 0.0021010978 0.0021010978 0.0019864539 0.00017086049
|
|
24100 100 0.0022189886 0.0022189886 0.0020466911 0.00030932562
|
|
24200 100 0.0019226314 0.0019226314 0.0017933042 9.3246067e-05
|
|
24300 100 0.0016875781 0.0016875781 0.0015999656 9.9935458e-05
|
|
24400 100 0.0015929611 0.0015929611 0.001531011 9.7429139e-05
|
|
24500 100 0.0015143044 0.0015143044 0.0014044175 9.807117e-05
|
|
24600 100 0.0018595492 0.0018595492 0.0014740944 7.4734729e-05
|
|
24700 100 0.0011646988 0.0011646988 0.0010881356 6.1197025e-05
|
|
24800 100 0.0014641612 0.0014641612 0.0012316664 8.81462e-05
|
|
24900 100 0.001024996 0.001024996 0.00094311114 5.8776472e-05
|
|
25000 100 0.00097890442 0.00097890442 0.00090302317 3.3980657e-05
|
|
Loop time of 0.0954661 on 1 procs for 5000 steps with 100 atoms
|
|
|
|
Performance: 22625823.872 tau/day, 52374.592 timesteps/s
|
|
99.5% CPU use with 1 MPI tasks x no OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 0.01234 | 0.01234 | 0.01234 | 0.0 | 12.93
|
|
Neigh | 0.015404 | 0.015404 | 0.015404 | 0.0 | 16.14
|
|
Comm | 0.00077391 | 0.00077391 | 0.00077391 | 0.0 | 0.81
|
|
Output | 0.000494 | 0.000494 | 0.000494 | 0.0 | 0.52
|
|
Modify | 0.062222 | 0.062222 | 0.062222 | 0.0 | 65.18
|
|
Other | | 0.004233 | | | 4.43
|
|
|
|
Nlocal: 100 ave 100 max 100 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Nghost: 0 ave 0 max 0 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Neighs: 150 ave 150 max 150 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 150
|
|
Ave neighs/atom = 1.5
|
|
Neighbor list builds = 283
|
|
Dangerous builds = 0
|
|
Total wall time: 0:00:00
|