317 lines
19 KiB
Groff
317 lines
19 KiB
Groff
LAMMPS (27 Jun 2024)
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WARNING: Using I/O redirection is unreliable with parallel runs. Better to use the -in switch to read input files. (../lammps.cpp:551)
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# pouring spheres into box made of triangles
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units lj
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atom_style sphere
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#atom_modify map array
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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 -7 7 -7 7 0 9 units box
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create_box 2 box # simply for dump_modify to color lines = green
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Created orthogonal box = (-7 -7 0) to (7 7 9)
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2 by 2 by 1 MPI processor grid
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pair_style gran/hooke/history 4000.0 NULL 100.0 NULL 0.5 1
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pair_coeff * *
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neighbor 0.3 bin
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neigh_modify delay 0 every 1 check yes
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#displace_atoms all rotate 0 0 0 0 0 1 45
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fix 20 all surface/global surf.tri.stl hooke 4000.0 NULL 100.0 NULL 0.5 1
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Reading STL object STL version of surf.tri from text file surf.tri.stl
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#fix 20 all surface/global surf.tri.stl hooke/history # 4000.0 NULL 100.0 NULL 0.5 1
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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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#fix 4 all viscous 0.2
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region slab block -2 2 -2 2 7 9 units box
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fix ins all pour 100 1 4767548 vol 0.4 10 diam one 1.0 region slab ignore
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Particle insertion: 24 every 400 steps, 100 by step 1601
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fix wall all wall/gran hooke/history 4000.0 NULL 100.0 NULL 0.5 1 zcylinder 7.0
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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 tmp.image.*.ppm type type zoom 1.4 adiam 1.0 fix 20 type 2 0.5
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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 = 22 22 14
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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair gran/hooke/history, perpetual
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attributes: half, newton on, size, history
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pair build: half/size/bin/atomonly/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) = 5.786 | 5.786 | 5.786 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 24 0.43156905 0.43156905 0.21119336 0.005627034
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200 24 0.73291569 0.73291569 0.35866087 0.009556157
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300 24 1.125323 1.125323 0.55068998 0.014672579
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400 24 1.608791 1.608791 0.78728068 0.020976299
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WARNING: Fewer insertions than requested (../fix_pour.cpp:683)
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500 44 1.0393538 1.0393538 0.51608705 0.025335722
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600 44 0.91758637 0.91758637 0.46172806 0.022367468
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700 44 0.94006427 0.94006427 0.48254195 0.035377091
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800 44 0.79393033 0.79393033 0.42561821 0.019944664
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900 68 0.72089876 0.72089876 0.37868178 0.027381075
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1000 68 0.63399342 0.63399342 0.33666552 0.052128303
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1100 68 0.63724402 0.63724402 0.3383098 0.024876228
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1200 68 0.61528554 0.61528554 0.33134629 0.030248652
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WARNING: Fewer insertions than requested (../fix_pour.cpp:683)
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1300 88 0.45289831 0.45289831 0.24603739 0.032314185
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1400 88 0.51028258 0.51028258 0.27462447 0.027721293
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1500 88 0.52728648 0.52728648 0.28580371 0.030249652
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1600 88 0.46373765 0.46373765 0.25474076 0.023383063
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1700 100 0.32521568 0.32521568 0.18562847 0.044525945
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1800 100 0.30850324 0.30850324 0.17882757 0.031769348
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1900 100 0.25365045 0.25365045 0.15147723 0.020592523
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2000 100 0.21618068 0.21618068 0.12797228 0.016906764
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2100 100 0.24765668 0.24765668 0.13878326 0.014412505
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2200 100 0.23385636 0.23385636 0.13254109 0.028043759
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2300 99 0.11484144 0.11484144 0.07191588 0.013339992
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2400 99 0.053908946 0.053908946 0.042287303 0.0035096828
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2500 99 0.042127084 0.042127084 0.032805289 0.0034968494
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2600 98 0.03620012 0.03620012 0.027643861 0.0031757884
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2700 98 0.030497382 0.030497382 0.02276464 0.0062433907
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2800 98 0.025840421 0.025840421 0.019571636 0.0017100476
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2900 98 0.020282706 0.020282706 0.01512433 0.0039918866
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3000 97 0.011469683 0.011469683 0.0095129501 0.00083264863
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3100 97 0.011061428 0.011061428 0.0089852941 0.0011413524
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3200 97 0.0085729018 0.0085729018 0.0065027781 0.0015793608
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3300 97 0.0048844117 0.0048844117 0.0043831348 0.00054654825
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3400 97 0.0031718513 0.0031718513 0.002919676 0.00041030186
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3500 97 0.0026149541 0.0026149541 0.0024273609 0.00064176505
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3600 96 0.0022374762 0.0022374762 0.0021346878 0.0009000487
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3700 96 0.002015425 0.002015425 0.0019283015 0.00010102156
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3800 96 0.0016640247 0.0016640247 0.0016542081 0.00058063795
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3900 96 0.0014953491 0.0014953491 0.0015554014 0.00043366101
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4000 96 0.0014314643 0.0014314643 0.001549993 0.00016144849
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4100 96 0.0012797618 0.0012797618 0.001462077 0.0001478758
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4200 96 0.001301217 0.001301217 0.0015150334 0.00032745678
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4300 96 0.0011719389 0.0011719389 0.0013301205 0.00025779628
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4400 96 0.00092491728 0.00092491728 0.0010319633 0.00030044217
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4500 96 0.00087292243 0.00087292243 0.001019192 0.00025577747
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4600 96 0.00075144495 0.00075144495 0.00091990059 0.00018817234
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4700 96 0.00074883306 0.00074883306 0.00093930259 0.0005619372
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4800 96 0.00065460832 0.00065460832 0.00089919023 0.00024621022
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4900 96 0.0006499224 0.0006499224 0.00092528447 0.00026790153
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5000 96 0.00061981936 0.00061981936 0.00078233948 0.00061552671
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Loop time of 15.3967 on 4 procs for 5000 steps with 96 atoms
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Performance: 140290.241 tau/day, 324.746 timesteps/s, 31.176 katom-step/s
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99.7% 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 | 0.065219 | 0.068376 | 0.070577 | 0.8 | 0.44
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Neigh | 0.036209 | 0.037389 | 0.038344 | 0.4 | 0.24
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Comm | 0.94586 | 0.95361 | 0.96234 | 0.6 | 6.19
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Output | 11.31 | 11.99 | 13.148 | 21.9 | 77.87
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Modify | 0.7825 | 0.88835 | 0.95807 | 7.7 | 5.77
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Other | | 1.459 | | | 9.48
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Nlocal: 24 ave 25 max 22 min
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Histogram: 1 0 0 0 0 0 1 0 0 2
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Nghost: 9.25 ave 12 max 8 min
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Histogram: 2 0 1 0 0 0 0 0 0 1
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Neighs: 36.25 ave 40 max 34 min
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Histogram: 2 0 0 0 0 1 0 0 0 1
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Total # of neighbors = 145
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Ave neighs/atom = 1.5104167
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Neighbor list builds = 319
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Dangerous builds = 0
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fix_modify 20 move rotate 0 0 0 0 0 1 25
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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) = 10.6 | 10.6 | 10.6 Mbytes
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Step Atoms Temp c_1 c_2 Press
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5000 96 0.00061981936 0.00061981936 0.00078233948 0.00061520755
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5100 96 0.028314129 0.028314129 0.028887614 0.0015596074
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5200 93 0.038280284 0.038280284 0.045433502 0.003972808
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5300 92 0.044602602 0.044602602 0.050026258 0.0066549492
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5400 88 0.043591861 0.043591861 0.050587055 0.0021499387
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5500 88 0.043643437 0.043643437 0.051930078 0.0045848219
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5600 86 0.044398335 0.044398335 0.050588091 0.0021861193
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5700 86 0.048834817 0.048834817 0.052122986 0.0024353201
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5800 82 0.048657023 0.048657023 0.050882437 0.0022637024
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5900 79 0.047422209 0.047422209 0.050391753 0.0020519953
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6000 78 0.047430795 0.047430795 0.050706223 0.0020757537
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6100 76 0.047766342 0.047766342 0.050881831 0.0020365653
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6200 74 0.048553742 0.048553742 0.049322747 0.0040124193
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6300 73 0.050329565 0.050329565 0.050219503 0.0021932369
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6400 71 0.049899479 0.049899479 0.047423384 0.0019659021
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6500 71 0.051053882 0.051053882 0.048643589 0.0020292656
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6600 71 0.051795185 0.051795185 0.04927532 0.0023715227
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6700 69 0.052264693 0.052264693 0.048643292 0.0020434717
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6800 69 0.052349883 0.052349883 0.049265236 0.0020181077
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6900 68 0.051428051 0.051428051 0.048628957 0.0019545319
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7000 67 0.050476407 0.050476407 0.048064128 0.0018923271
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7100 67 0.050313513 0.050313513 0.048219142 0.001884633
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7200 67 0.050521342 0.050521342 0.047963518 0.0021063865
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7300 66 0.049017518 0.049017518 0.047288558 0.0018972353
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7400 65 0.048690842 0.048690842 0.048162015 0.0017669135
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7500 64 0.048934259 0.048934259 0.047906689 0.0019361894
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7600 62 0.048293135 0.048293135 0.047386457 0.0023701331
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7700 61 0.050821617 0.050821617 0.048266806 0.0018564185
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7800 60 0.052493396 0.052493396 0.049727548 0.0017921461
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7900 59 0.053162734 0.053162734 0.050327775 0.0017510558
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8000 57 0.051249525 0.051249525 0.048540418 0.0028770132
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8100 57 0.05261519 0.05261519 0.049923888 0.0016707326
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8200 55 0.051727022 0.051727022 0.047928098 0.0014557055
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8300 55 0.050489803 0.050489803 0.048163815 0.0033275674
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8400 54 0.049599363 0.049599363 0.047431898 0.0015088762
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8500 54 0.052050538 0.052050538 0.048908289 0.0015666966
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8600 52 0.050340482 0.050340482 0.046440415 0.0014555948
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8700 52 0.052028316 0.052028316 0.048176195 0.0015106353
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8800 50 0.0499901 0.0499901 0.045788044 0.0025087962
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8900 50 0.051750338 0.051750338 0.047753896 0.0014377545
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9000 50 0.051966831 0.051966831 0.048823952 0.0014437681
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9100 49 0.051660945 0.051660945 0.048110255 0.0014336784
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9200 49 0.051126513 0.051126513 0.048962201 0.0014162724
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9300 48 0.049057888 0.049057888 0.0492291 0.0013197818
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9400 48 0.045030047 0.045030047 0.047529619 0.0013481748
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9500 48 0.045513589 0.045513589 0.048536638 0.0012236674
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9600 48 0.043665627 0.043665627 0.048296609 0.0011806622
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9700 48 0.044106239 0.044106239 0.049540196 0.0011963288
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9800 46 0.042160287 0.042160287 0.048481885 0.0011107764
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9900 46 0.041772009 0.041772009 0.049483596 0.0011344326
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10000 44 0.040236277 0.040236277 0.045816406 0.00099962018
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Loop time of 14.3219 on 4 procs for 5000 steps with 44 atoms
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Performance: 150817.741 tau/day, 349.115 timesteps/s, 15.361 katom-step/s
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99.8% 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 | 0.045346 | 0.049249 | 0.05101 | 1.0 | 0.34
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Neigh | 0.027653 | 0.028827 | 0.029969 | 0.5 | 0.20
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Comm | 0.68027 | 0.70592 | 0.72986 | 2.2 | 4.93
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Output | 10.707 | 11.401 | 12.544 | 22.1 | 79.61
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Modify | 0.60999 | 0.65113 | 0.70846 | 4.7 | 4.55
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Other | | 1.485 | | | 10.37
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Nlocal: 11 ave 20 max 4 min
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Histogram: 1 0 0 2 0 0 0 0 0 1
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Nghost: 4 ave 6 max 2 min
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Histogram: 1 0 0 0 0 2 0 0 0 1
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Neighs: 9.75 ave 23 max 2 min
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Histogram: 1 1 1 0 0 0 0 0 0 1
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Total # of neighbors = 39
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Ave neighs/atom = 0.88636364
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Neighbor list builds = 333
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Dangerous builds = 0
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fix_modify 20 move none
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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) = 10.6 | 10.6 | 10.6 Mbytes
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Step Atoms Temp c_1 c_2 Press
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10000 44 0.040236277 0.040236277 0.045816406 0.00099979881
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10100 44 0.010977052 0.010977052 0.010149182 0.00026758119
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10200 44 0.004605352 0.004605352 0.0053045614 0.00011226198
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10300 44 0.0053942032 0.0053942032 0.0056431085 0.00013149135
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10400 44 0.0036859511 0.0036859511 0.0041662707 9.2662763e-05
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10500 44 0.0039184347 0.0039184347 0.0043067155 0.00049979829
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10600 44 0.0044427233 0.0044427233 0.0045879783 0.00011077625
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10700 44 0.0029607594 0.0029607594 0.0034776101 0.0006068726
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10800 44 0.0026942916 0.0026942916 0.0034401136 6.706354e-05
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10900 44 0.0026203469 0.0026203469 0.0034492724 6.9607138e-05
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11000 44 0.0019864947 0.0019864947 0.0031427116 8.3134017e-06
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11100 44 0.0019240976 0.0019240976 0.0032808084 2.0347364e-05
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11200 44 0.0018635948 0.0018635948 0.0034030363 5.7875998e-05
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11300 44 0.0017686207 0.0017686207 0.0029556669 9.3363224e-05
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11400 44 0.0014303652 0.0014303652 0.002751691 5.9528496e-05
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11500 44 0.001399414 0.001399414 0.0027540021 5.8871141e-05
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11600 44 0.0011285459 0.0011285459 0.0017454672 0.00063103388
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11700 44 0.0010672518 0.0010672518 0.0014970714 0.00012978783
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11800 44 0.0010754046 0.0010754046 0.0015525936 0.00011139988
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11900 44 0.00093155287 0.00093155287 0.0011682302 0.00012515367
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12000 44 0.00084853622 0.00084853622 0.0010681768 0.00010639935
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12100 44 0.00069411148 0.00069411148 0.00077780972 7.3742549e-05
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12200 44 0.0006859885 0.0006859885 0.0007696296 9.3309816e-05
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12300 44 0.00064103944 0.00064103944 0.00072985388 0.0001474211
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12400 44 0.00063849822 0.00063849822 0.00072417306 9.4166534e-05
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12500 44 0.0006361049 0.0006361049 0.00068646857 9.5282342e-05
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12600 44 0.00063622199 0.00063622199 0.00068538208 9.5058162e-05
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12700 44 0.00062165913 0.00062165913 0.00066876644 9.412044e-05
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12800 44 0.00058480739 0.00058480739 0.00063172101 0.00018653887
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12900 44 0.00054058957 0.00054058957 0.00059549487 9.384774e-05
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13000 44 0.00051904254 0.00051904254 0.00057073513 9.4434337e-05
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13100 44 0.00053410816 0.00053410816 0.00057766113 9.61856e-05
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13200 44 0.00050156547 0.00050156547 0.00055212122 9.7382505e-05
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13300 44 0.00049740896 0.00049740896 0.00054826803 9.7690479e-05
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13400 44 0.00049775099 0.00049775099 0.00054791017 9.7482658e-05
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13500 44 0.00049205909 0.00049205909 0.00054071132 0.00010353798
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13600 44 0.00049240333 0.00049240333 0.00054031425 9.7448102e-05
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13700 44 0.00049274845 0.00049274845 0.00053984708 9.7497469e-05
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13800 43 0.00050763917 0.00050763917 0.00055870605 8.5113661e-05
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13900 43 0.00047304434 0.00047304434 0.00054545171 7.7477263e-05
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14000 43 0.00047307851 0.00047307851 0.00056349029 0.00016615605
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14100 43 0.00048268391 0.00048268391 0.00059292333 8.4939642e-05
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14200 43 0.00049712412 0.00049712412 0.00064043909 8.522618e-05
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14300 43 0.00051010248 0.00051010248 0.00069557642 8.5161341e-05
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14400 43 0.0005010299 0.0005010299 0.00074528156 8.5292218e-05
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14500 43 0.00050900735 0.00050900735 0.00081321917 8.5452422e-05
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14600 43 0.00051293789 0.00051293789 0.00088464504 8.5523903e-05
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14700 43 0.00050022161 0.00050022161 0.00094898195 8.520624e-05
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14800 43 0.00049641051 0.00049641051 0.0010219267 8.5106195e-05
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14900 43 0.00048906772 0.00048906772 0.0010926634 8.4926556e-05
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15000 43 0.00048008443 0.00048008443 0.0011603655 8.470585e-05
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Loop time of 14.5369 on 4 procs for 5000 steps with 43 atoms
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Performance: 148587.184 tau/day, 343.952 timesteps/s, 14.790 katom-step/s
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99.7% 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 | 0.020082 | 0.038623 | 0.055378 | 6.7 | 0.27
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Neigh | 0.00203 | 0.0025526 | 0.0032587 | 0.9 | 0.02
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Comm | 0.46528 | 0.54133 | 0.62211 | 7.5 | 3.72
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Output | 10.574 | 11.671 | 12.961 | 26.2 | 80.28
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Modify | 0.20883 | 0.41514 | 0.69875 | 27.7 | 2.86
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Other | | 1.869 | | | 12.85
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Nlocal: 10.75 ave 20 max 5 min
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Histogram: 1 0 2 0 0 0 0 0 0 1
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Nghost: 4 ave 7 max 2 min
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Histogram: 1 0 1 0 1 0 0 0 0 1
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Neighs: 10 ave 22 max 2 min
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Histogram: 1 0 1 1 0 0 0 0 0 1
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Total # of neighbors = 40
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Ave neighs/atom = 0.93023256
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Neighbor list builds = 32
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Dangerous builds = 0
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Total wall time: 0:00:46
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