485 lines
30 KiB
Groff
485 lines
30 KiB
Groff
LAMMPS (8 Feb 2023)
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OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
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using 1 OpenMP thread(s) per MPI task
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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/dof yes
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compute 2 all temp/sphere
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compute_modify 2 dynamic/dof 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/dof 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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Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
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Neighbor list info ...
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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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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair gran/hooke, perpetual
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attributes: half, newton on, size
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pair build: half/size/bin/newton
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stencil: half/bin/3d
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bin: standard
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Per MPI rank memory allocation (min/avg/max) = 0.5861 | 0.5861 | 0.5861 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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WARNING: Fewer insertions than requested (src/GRANULAR/fix_pour.cpp:681)
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100 30 0.803783 0.803783 0.39507978 0.0029137134
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200 30 1.1967995 1.1967995 0.5882574 0.0043383984
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300 30 1.2814686 1.2814686 0.62987441 0.0046453238
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400 30 0.82331082 0.82331082 0.41173176 0.0029845017
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500 30 0.7708462 0.7708462 0.38777784 0.0043831147
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WARNING: Fewer insertions than requested (src/GRANULAR/fix_pour.cpp:681)
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600 64 0.51564897 0.51564897 0.26631577 0.0040059368
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700 64 0.57239348 0.57239348 0.29566901 0.0045075987
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800 64 0.61837087 0.61837087 0.32195387 0.0048123564
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900 64 0.53061888 0.53061888 0.28564763 0.0055906552
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1000 64 0.496299 0.496299 0.26801572 0.0061169128
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1100 64 0.46068308 0.46068308 0.24699057 0.0055717699
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WARNING: Fewer insertions than requested (src/GRANULAR/fix_pour.cpp:681)
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1200 99 0.39206225 0.39206225 0.21356546 0.0066294211
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1300 99 0.38624966 0.38624966 0.21345854 0.0049051051
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1400 99 0.35615284 0.35615284 0.19785725 0.0046170772
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1500 99 0.31486693 0.31486693 0.17429055 0.0064903432
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1600 99 0.26369001 0.26369001 0.15095266 0.0045226847
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1700 100 0.1925923 0.1925923 0.11308104 0.007362313
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1800 100 0.13724978 0.13724978 0.083276845 0.0058136373
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1900 100 0.077212636 0.077212636 0.053159386 0.0016509598
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2000 100 0.065294031 0.065294031 0.04372752 0.0020346467
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2100 100 0.057431398 0.057431398 0.037977068 0.0012681098
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2200 100 0.059093045 0.059093045 0.037435193 0.00096610799
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2300 100 0.03422338 0.03422338 0.025491304 0.00069886052
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2400 100 0.020558284 0.020558284 0.016163009 0.0017260663
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2500 100 0.015339709 0.015339709 0.012329236 0.00041308031
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2600 100 0.012891354 0.012891354 0.009766054 0.00030356722
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2700 100 0.0092634449 0.0092634449 0.0073580108 0.00077723051
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2800 100 0.0073925841 0.0073925841 0.0059932218 0.00016466767
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2900 100 0.0081228267 0.0081228267 0.006281761 0.00013828388
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3000 100 0.0041833223 0.0041833223 0.0035147096 0.00013160599
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3100 100 0.0035930775 0.0035930775 0.0030039922 0.00060639771
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3200 100 0.0030824465 0.0030824465 0.0026541293 0.00047391014
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3300 100 0.0035087522 0.0035087522 0.0027664508 0.00014080317
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3400 100 0.0018537868 0.0018537868 0.0017099705 6.3326674e-05
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3500 100 0.0015371228 0.0015371228 0.0014155433 0.00021612522
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3600 100 0.001708556 0.001708556 0.0014369892 8.1034202e-05
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3700 100 0.00095948652 0.00095948652 0.0009788528 3.4694023e-05
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3800 100 0.00091875668 0.00091875668 0.00086805146 3.9373686e-05
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3900 100 0.001557068 0.001557068 0.001159526 2.5178607e-05
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4000 100 0.00062012451 0.00062012451 0.00066806922 5.6680551e-06
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4100 100 0.00060940771 0.00060940771 0.00065614741 1.0137901e-05
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4200 100 0.00059538437 0.00059538437 0.00064501521 7.3679744e-06
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4300 100 0.00052946048 0.00052946048 0.00059353641 5.9225081e-06
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4400 100 0.00051202281 0.00051202281 0.00057524772 3.6198435e-05
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4500 100 0.00049986632 0.00049986632 0.00055754521 2.2275519e-05
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4600 100 0.00048187334 0.00048187334 0.00053988815 2.2015243e-05
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4700 100 0.00045261491 0.00045261491 0.00050298355 8.9681339e-05
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4800 100 0.00034965427 0.00034965427 0.0004278781 1.0983535e-05
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4900 100 0.00033555621 0.00033555621 0.00041435167 2.9266598e-05
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5000 100 0.00031387148 0.00031387148 0.00039605781 2.5628425e-05
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Loop time of 0.073938 on 1 procs for 5000 steps with 100 atoms
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Performance: 29213677.752 tau/day, 67624.254 timesteps/s, 6.762 Matom-step/s
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98.6% CPU use with 1 MPI tasks x 1 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 | 0.0084547 | 0.0084547 | 0.0084547 | 0.0 | 11.43
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Neigh | 0.011399 | 0.011399 | 0.011399 | 0.0 | 15.42
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Comm | 0.00077205 | 0.00077205 | 0.00077205 | 0.0 | 1.04
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Output | 0.00042663 | 0.00042663 | 0.00042663 | 0.0 | 0.58
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Modify | 0.049692 | 0.049692 | 0.049692 | 0.0 | 67.21
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Other | | 0.003194 | | | 4.32
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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: 164 ave 164 max 164 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 164
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Ave neighs/atom = 1.64
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Neighbor list builds = 281
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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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Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
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WARNING: Region properties for region container changed between runs, resetting its motion (src/GRANULAR/fix_wall_gran_region.cpp:101)
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Per MPI rank memory allocation (min/avg/max) = 5.837 | 5.837 | 5.837 Mbytes
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Step Atoms Temp c_1 c_2 Press
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5000 100 0.00031387148 0.00031387148 0.00039605781 2.6174978e-05
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5100 100 0.54537023 0.54537023 0.30042175 0.0087427352
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5200 100 0.57210852 0.57210852 0.3192468 0.0098134067
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5300 100 0.7168108 0.7168108 0.38577893 0.011004584
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5400 100 0.78895524 0.78895524 0.41889428 0.013555713
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5500 100 0.87797874 0.87797874 0.45689223 0.01565356
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5600 100 0.95424379 0.95424379 0.48830429 0.014707858
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5700 100 1.0046012 1.0046012 0.51054927 0.01469179
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5800 100 1.0371453 1.0371453 0.5262568 0.015576788
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5900 100 1.0545743 1.0545743 0.5361173 0.01589889
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6000 100 1.0932949 1.0932949 0.55402214 0.017484573
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6100 100 1.1148364 1.1148364 0.56241126 0.01721788
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6200 100 1.1315267 1.1315267 0.57050887 0.017961246
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6300 100 1.1506124 1.1506124 0.58009471 0.017159062
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6400 100 1.1663328 1.1663328 0.5876586 0.017935311
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6500 100 1.1821086 1.1821086 0.59595161 0.018005316
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6600 100 1.2039397 1.2039397 0.60567523 0.021604661
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6700 100 1.2269912 1.2269912 0.61770225 0.018907995
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6800 100 1.2447034 1.2447034 0.62576519 0.020537655
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6900 100 1.2625323 1.2625323 0.63486698 0.02010613
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7000 100 1.2617127 1.2617127 0.63318163 0.019670429
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7100 100 1.260715 1.260715 0.63311254 0.01981063
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7200 100 1.2790404 1.2790404 0.64079 0.020218912
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7300 100 1.2760228 1.2760228 0.6395331 0.021749952
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7400 100 1.2799657 1.2799657 0.64139078 0.020472917
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7500 100 1.2846472 1.2846472 0.64343076 0.020610029
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7600 100 1.2883963 1.2883963 0.6449186 0.020748906
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7700 100 1.2926891 1.2926891 0.64684538 0.020599574
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7800 100 1.3033565 1.3033565 0.65126214 0.021822145
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7900 100 1.3025797 1.3025797 0.65069472 0.02121384
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8000 100 1.3052551 1.3052551 0.65209898 0.021398725
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8100 100 1.3069868 1.3069868 0.65304899 0.021246465
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8200 100 1.3091964 1.3091964 0.65438143 0.021222398
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8300 100 1.3101277 1.3101277 0.65518554 0.021329556
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8400 100 1.3117162 1.3117162 0.65551056 0.021468306
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8500 100 1.3143892 1.3143892 0.65683087 0.021610874
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8600 100 1.3164123 1.3164123 0.65789423 0.021564818
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8700 100 1.3186854 1.3186854 0.65914031 0.021745193
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8800 100 1.3216944 1.3216944 0.66041385 0.022178553
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8900 100 1.3207558 1.3207558 0.65988071 0.021810027
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9000 100 1.3213131 1.3213131 0.66020938 0.021890893
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9100 100 1.3224905 1.3224905 0.66088289 0.021824994
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9200 100 1.3240681 1.3240681 0.66183168 0.021784616
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9300 100 1.3254174 1.3254174 0.66279883 0.021664485
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9400 100 1.3326916 1.3326916 0.66633358 0.021979709
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9500 100 1.3405062 1.3405062 0.66975745 0.022238702
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9600 100 1.3363695 1.3363695 0.66742377 0.022104646
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9700 100 1.3363391 1.3363391 0.6673032 0.022066628
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9800 100 1.334875 1.334875 0.6665532 0.021902669
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9900 100 1.3339805 1.3339805 0.66614358 0.022018971
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10000 100 1.3337897 1.3337897 0.66609803 0.022184385
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Loop time of 0.213875 on 1 procs for 5000 steps with 100 atoms
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Performance: 10099379.673 tau/day, 23378.194 timesteps/s, 2.338 Matom-step/s
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99.6% CPU use with 1 MPI tasks x 1 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 | 0.031863 | 0.031863 | 0.031863 | 0.0 | 14.90
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Neigh | 0.026844 | 0.026844 | 0.026844 | 0.0 | 12.55
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Comm | 0.0011059 | 0.0011059 | 0.0011059 | 0.0 | 0.52
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Output | 0.00072907 | 0.00072907 | 0.00072907 | 0.0 | 0.34
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Modify | 0.14874 | 0.14874 | 0.14874 | 0.0 | 69.54
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Other | | 0.004595 | | | 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: 186 ave 186 max 186 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 186
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Ave neighs/atom = 1.86
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Neighbor list builds = 626
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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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Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
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Per MPI rank memory allocation (min/avg/max) = 5.837 | 5.837 | 5.837 Mbytes
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Step Atoms Temp c_1 c_2 Press
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10000 100 1.3337897 1.3337897 0.66609803 0.022303323
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10100 100 0.29960521 0.29960521 0.17535846 0.0099382421
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10200 100 0.15737069 0.15737069 0.1024212 0.0045555648
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10300 100 0.087501771 0.087501771 0.070895975 0.00093482858
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10400 100 0.069967301 0.069967301 0.059253397 0.0008760803
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10500 100 0.056137153 0.056137153 0.047810947 0.0009202993
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10600 100 0.046835352 0.046835352 0.039400006 0.0011343063
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10700 100 0.035422167 0.035422167 0.030746587 0.00081816474
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10800 100 0.029180739 0.029180739 0.02627693 0.00039292712
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10900 100 0.025094915 0.025094915 0.023244435 0.00044742245
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11000 100 0.018014893 0.018014893 0.016862375 0.00017018411
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11100 100 0.014549072 0.014549072 0.014551468 0.00020988549
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11200 100 0.012586232 0.012586232 0.012569333 0.00019035396
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11300 100 0.01003586 0.01003586 0.010253286 0.0004598214
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11400 100 0.0067515743 0.0067515743 0.0069569741 0.00040592883
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11500 100 0.0057834612 0.0057834612 0.0060790719 0.00013993531
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11600 100 0.005496335 0.005496335 0.0056855922 0.00013419698
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11700 100 0.0051524178 0.0051524178 0.0053354591 7.4388594e-05
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11800 100 0.004911096 0.004911096 0.0051415984 0.00010665621
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11900 100 0.004687138 0.004687138 0.0049520306 6.7492552e-05
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12000 100 0.0041516495 0.0041516495 0.0044351666 4.3841199e-05
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12100 100 0.0033948026 0.0033948026 0.0036851466 4.2010682e-05
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12200 100 0.0029584231 0.0029584231 0.0031151054 5.1583068e-05
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12300 100 0.0028401114 0.0028401114 0.0030094644 4.5499489e-05
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12400 100 0.002650861 0.002650861 0.0027699066 0.00015370263
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12500 100 0.0026018053 0.0026018053 0.0027178583 3.219734e-05
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12600 100 0.0025788693 0.0025788693 0.0026939358 3.6615314e-05
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12700 100 0.0024798907 0.0024798907 0.0026181033 3.0688648e-05
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12800 100 0.0023930719 0.0023930719 0.0025491721 7.5200629e-05
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12900 100 0.0022100795 0.0022100795 0.0024231125 2.3210159e-05
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13000 100 0.0021267492 0.0021267492 0.0023312893 2.463758e-05
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13100 100 0.0020732193 0.0020732193 0.0022673707 2.5656089e-05
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13200 100 0.0020010659 0.0020010659 0.0021834293 2.4913608e-05
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13300 100 0.0019645929 0.0019645929 0.0021311636 6.8209063e-05
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13400 100 0.0019236711 0.0019236711 0.0020928899 2.3805429e-05
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13500 100 0.001857137 0.001857137 0.0020387354 3.1316165e-05
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13600 100 0.0018399111 0.0018399111 0.0020204586 2.27689e-05
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13700 100 0.0016240252 0.0016240252 0.0017492695 0.00023180963
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13800 100 0.0015856393 0.0015856393 0.0017164012 4.2480373e-05
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13900 100 0.0014770352 0.0014770352 0.001571278 2.3192512e-05
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14000 100 0.0013712974 0.0013712974 0.0014839763 4.7410142e-05
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14100 100 0.0012396318 0.0012396318 0.0013778109 1.3867692e-05
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14200 100 0.0011502319 0.0011502319 0.0012780584 0.00018410725
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14300 100 0.0011020896 0.0011020896 0.0012348357 7.8122446e-05
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14400 100 0.0010486644 0.0010486644 0.0011483239 0.00015074963
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14500 100 0.00094167471 0.00094167471 0.0010033809 1.9550083e-05
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14600 100 0.00080775791 0.00080775791 0.00087434944 4.6043659e-05
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14700 100 0.00076176039 0.00076176039 0.00083462461 8.1916038e-05
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14800 100 0.00073637901 0.00073637901 0.00081306941 9.1126903e-06
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14900 100 0.00072682383 0.00072682383 0.00079396231 8.9944449e-06
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15000 100 0.00070207518 0.00070207518 0.00077168127 2.2155171e-05
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Loop time of 0.0756704 on 1 procs for 5000 steps with 100 atoms
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Performance: 28544845.995 tau/day, 66076.032 timesteps/s, 6.608 Matom-step/s
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99.7% CPU use with 1 MPI tasks x 1 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 | 0.0079484 | 0.0079484 | 0.0079484 | 0.0 | 10.50
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Neigh | 0.0043035 | 0.0043035 | 0.0043035 | 0.0 | 5.69
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Comm | 0.00064796 | 0.00064796 | 0.00064796 | 0.0 | 0.86
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Output | 0.00044137 | 0.00044137 | 0.00044137 | 0.0 | 0.58
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Modify | 0.059329 | 0.059329 | 0.059329 | 0.0 | 78.40
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Other | | 0.003 | | | 3.97
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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: 165 ave 165 max 165 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 165
|
|
Ave neighs/atom = 1.65
|
|
Neighbor list builds = 101
|
|
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
|
|
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
|
|
Per MPI rank memory allocation (min/avg/max) = 5.837 | 5.837 | 5.837 Mbytes
|
|
Step Atoms Temp c_1 c_2 Press
|
|
15000 100 0.00070207518 0.00070207518 0.00077168127 2.0192237e-05
|
|
15100 100 1.1160127 1.1160127 0.69939857 0.01822663
|
|
15200 100 1.2546016 1.2546016 0.78819474 0.017013321
|
|
15300 100 1.1930613 1.1930613 0.77429911 0.015607175
|
|
15400 100 1.3791371 1.3791371 0.87875984 0.018478669
|
|
15500 100 1.6063158 1.6063158 0.98587325 0.027330546
|
|
15600 100 1.7719925 1.7719925 1.0773314 0.025651867
|
|
15700 100 1.8053439 1.8053439 1.0934572 0.033790716
|
|
15800 100 1.959016 1.959016 1.1465659 0.033715025
|
|
15900 100 2.1365654 2.1365654 1.2217718 0.03009529
|
|
16000 100 2.2883378 2.2883378 1.2768504 0.030582689
|
|
16100 100 2.4384012 2.4384012 1.3513708 0.031435936
|
|
16200 100 2.3571308 2.3571308 1.29989 0.034824253
|
|
16300 100 2.4671092 2.4671092 1.3516798 0.032364282
|
|
16400 100 2.4411936 2.4411936 1.3385743 0.031890134
|
|
16500 100 2.4930545 2.4930545 1.3635435 0.032601452
|
|
16600 100 2.5771906 2.5771906 1.4113993 0.034547128
|
|
16700 100 2.723199 2.723199 1.4769168 0.036582811
|
|
16800 100 2.8616886 2.8616886 1.5379462 0.036224198
|
|
16900 100 2.9517942 2.9517942 1.5872824 0.038757052
|
|
17000 100 3.0150335 3.0150335 1.6337001 0.044031411
|
|
17100 100 3.2211536 3.2211536 1.7374532 0.041483093
|
|
17200 100 3.2509982 3.2509982 1.7512835 0.042718835
|
|
17300 100 3.262348 3.262348 1.7648674 0.049291835
|
|
17400 100 3.4050702 3.4050702 1.8352043 0.04435958
|
|
17500 100 3.5236051 3.5236051 1.9003369 0.045640904
|
|
17600 100 3.4005287 3.4005287 1.8404347 0.044832295
|
|
17700 100 3.3190992 3.3190992 1.8154147 0.046365998
|
|
17800 100 3.2981138 3.2981138 1.811389 0.04607132
|
|
17900 100 3.2839466 3.2839466 1.7863773 0.045628167
|
|
18000 100 3.1519747 3.1519747 1.7382103 0.041739193
|
|
18100 100 3.1205305 3.1205305 1.7101547 0.043511342
|
|
18200 100 3.2014874 3.2014874 1.746745 0.04452173
|
|
18300 100 3.2739622 3.2739622 1.7796276 0.041345823
|
|
18400 100 3.3157359 3.3157359 1.8158932 0.047414
|
|
18500 100 3.5592096 3.5592096 1.9307695 0.046458132
|
|
18600 100 3.6594352 3.6594352 1.9851626 0.046396953
|
|
18700 100 3.6392917 3.6392917 1.9701361 0.047272883
|
|
18800 100 3.8490892 3.8490892 2.0832481 0.052344106
|
|
18900 100 3.8465732 3.8465732 2.0790411 0.054203126
|
|
19000 100 4.010008 4.010008 2.1620722 0.054242542
|
|
19100 100 4.0417392 4.0417392 2.168506 0.066484948
|
|
19200 100 3.8791541 3.8791541 2.0791914 0.060788142
|
|
19300 100 4.1023603 4.1023603 2.1944127 0.056461298
|
|
19400 100 4.1294375 4.1294375 2.2009649 0.061099665
|
|
19500 100 3.9274112 3.9274112 2.0877398 0.066068401
|
|
19600 100 4.066229 4.066229 2.1678487 0.055961003
|
|
19700 100 3.9829257 3.9829257 2.1184329 0.061961838
|
|
19800 100 4.0303258 4.0303258 2.14544 0.053667616
|
|
19900 100 3.9385166 3.9385166 2.1074364 0.060804382
|
|
20000 100 3.8534401 3.8534401 2.0796496 0.057588336
|
|
Loop time of 0.167801 on 1 procs for 5000 steps with 100 atoms
|
|
|
|
Performance: 12872385.064 tau/day, 29797.188 timesteps/s, 2.980 Matom-step/s
|
|
99.1% CPU use with 1 MPI tasks x 1 OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 0.013849 | 0.013849 | 0.013849 | 0.0 | 8.25
|
|
Neigh | 0.038108 | 0.038108 | 0.038108 | 0.0 | 22.71
|
|
Comm | 0.0011352 | 0.0011352 | 0.0011352 | 0.0 | 0.68
|
|
Output | 0.00073125 | 0.00073125 | 0.00073125 | 0.0 | 0.44
|
|
Modify | 0.10927 | 0.10927 | 0.10927 | 0.0 | 65.12
|
|
Other | | 0.004703 | | | 2.80
|
|
|
|
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: 157 ave 157 max 157 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 157
|
|
Ave neighs/atom = 1.57
|
|
Neighbor list builds = 914
|
|
Dangerous builds = 0
|
|
|
|
region container delete
|
|
region container block -6 6 -6 6 -6 6 units box
|
|
run 5000
|
|
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
|
|
Per MPI rank memory allocation (min/avg/max) = 5.837 | 5.837 | 5.837 Mbytes
|
|
Step Atoms Temp c_1 c_2 Press
|
|
20000 100 3.8534401 3.8534401 2.0796496 0.057176513
|
|
20100 100 1.2993548 1.2993548 0.81360425 0.016153186
|
|
20200 100 1.0761427 1.0761427 0.68479926 0.014383682
|
|
20300 100 0.95889127 0.95889127 0.61193887 0.01314653
|
|
20400 100 0.89684043 0.89684043 0.57475851 0.011106613
|
|
20500 100 0.85901565 0.85901565 0.54372093 0.015717834
|
|
20600 100 0.98438384 0.98438384 0.6079212 0.013965815
|
|
20700 100 1.1061789 1.1061789 0.66511277 0.013698526
|
|
20800 100 1.0615292 1.0615292 0.6269413 0.014496973
|
|
20900 100 0.92980037 0.92980037 0.54727184 0.014568574
|
|
21000 100 0.71248123 0.71248123 0.41945517 0.01199152
|
|
21100 100 0.34785801 0.34785801 0.21699877 0.0062324631
|
|
21200 100 0.2452514 0.2452514 0.15265503 0.0041094159
|
|
21300 100 0.22937209 0.22937209 0.13988978 0.0034016589
|
|
21400 100 0.17765021 0.17765021 0.11334596 0.0024169343
|
|
21500 100 0.11484505 0.11484505 0.078119393 0.0020987046
|
|
21600 100 0.077564645 0.077564645 0.056175123 0.002107237
|
|
21700 100 0.049571519 0.049571519 0.039920177 0.00099127481
|
|
21800 100 0.0403125 0.0403125 0.032827882 0.00074671903
|
|
21900 100 0.02735168 0.02735168 0.023877339 0.0018186225
|
|
22000 100 0.02218474 0.02218474 0.01893178 0.00061438633
|
|
22100 100 0.021701103 0.021701103 0.0179008 0.00068071664
|
|
22200 100 0.01777321 0.01777321 0.014521817 0.00045296506
|
|
22300 100 0.016056338 0.016056338 0.01280709 0.00038192299
|
|
22400 100 0.013344054 0.013344054 0.010788852 0.0002617289
|
|
22500 100 0.011625836 0.011625836 0.0094362641 0.00045947089
|
|
22600 100 0.0068875777 0.0068875777 0.0058858647 0.00028566999
|
|
22700 100 0.0054081662 0.0054081662 0.0049545239 0.00029291503
|
|
22800 100 0.0045080107 0.0045080107 0.0042362636 0.00015217816
|
|
22900 100 0.0038090552 0.0038090552 0.0036905284 0.00049430003
|
|
23000 100 0.003551951 0.003551951 0.0033639677 0.00022478393
|
|
23100 100 0.0033854012 0.0033854012 0.00317485 0.00015179604
|
|
23200 100 0.0032951003 0.0032951003 0.0029760374 0.00015363208
|
|
23300 100 0.0022995179 0.0022995179 0.0023224311 0.00018791799
|
|
23400 100 0.0020834178 0.0020834178 0.0021434342 0.00020683744
|
|
23500 100 0.0019221303 0.0019221303 0.0020227484 0.00018960984
|
|
23600 100 0.0018393381 0.0018393381 0.0019560681 0.00021375486
|
|
23700 100 0.0019027035 0.0019027035 0.0020047598 0.00010932204
|
|
23800 100 0.0023612063 0.0023612063 0.0021895633 6.7671176e-05
|
|
23900 100 0.0019570853 0.0019570853 0.0018847178 5.6761457e-05
|
|
24000 100 0.0013011744 0.0013011744 0.0013899106 3.8847148e-05
|
|
24100 100 0.001281115 0.001281115 0.0013737259 3.7559904e-05
|
|
24200 100 0.0012136262 0.0012136262 0.0013002937 6.8727546e-05
|
|
24300 100 0.0011789934 0.0011789934 0.0012399341 3.7633632e-05
|
|
24400 100 0.0011601514 0.0011601514 0.0012186534 4.0077907e-05
|
|
24500 100 0.0010660295 0.0010660295 0.0011419405 0.00015757237
|
|
24600 100 0.00098862453 0.00098862453 0.0010869455 4.5714503e-05
|
|
24700 100 0.00087647136 0.00087647136 0.00091405278 3.3129869e-05
|
|
24800 100 0.00063913046 0.00063913046 0.00072298864 3.5424308e-05
|
|
24900 100 0.00062195456 0.00062195456 0.00070527087 2.6201396e-05
|
|
25000 100 0.00057599538 0.00057599538 0.00065623226 2.0096103e-05
|
|
Loop time of 0.0771328 on 1 procs for 5000 steps with 100 atoms
|
|
|
|
Performance: 28003659.560 tau/day, 64823.286 timesteps/s, 6.482 Matom-step/s
|
|
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 0.0090635 | 0.0090635 | 0.0090635 | 0.0 | 11.75
|
|
Neigh | 0.012028 | 0.012028 | 0.012028 | 0.0 | 15.59
|
|
Comm | 0.0008345 | 0.0008345 | 0.0008345 | 0.0 | 1.08
|
|
Output | 0.00038777 | 0.00038777 | 0.00038777 | 0.0 | 0.50
|
|
Modify | 0.051619 | 0.051619 | 0.051619 | 0.0 | 66.92
|
|
Other | | 0.0032 | | | 4.15
|
|
|
|
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: 158 ave 158 max 158 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 158
|
|
Ave neighs/atom = 1.58
|
|
Neighbor list builds = 310
|
|
Dangerous builds = 0
|
|
Total wall time: 0:00:00
|