610 lines
31 KiB
Groff
610 lines
31 KiB
Groff
LAMMPS (5 Oct 2016)
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variable name string mixer
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thermo_modify flush yes
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variable seed equal 14314
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###############################################
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# Particle parameters
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################################################
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variable rlo equal 0.3
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variable rhi equal 0.6
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variable dlo equal 2.0*${rlo}
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variable dlo equal 2.0*0.3
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variable dhi equal 2.0*${rhi}
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variable dhi equal 2.0*0.6
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variable skin equal ${rhi}
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variable skin equal 0.6
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variable coeffRes equal 0.1
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variable coeffFric equal 0.5
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variable kn equal 10^5
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variable kt equal 0.2*${kn}
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variable kt equal 0.2*100000
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variable gravity equal 1.0
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variable density equal 1.0
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variable min_mass equal ${density}*4.0/3.0*PI*${rlo}*${rlo}*${rlo}
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variable min_mass equal 1*4.0/3.0*PI*${rlo}*${rlo}*${rlo}
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variable min_mass equal 1*4.0/3.0*PI*0.3*${rlo}*${rlo}
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variable min_mass equal 1*4.0/3.0*PI*0.3*0.3*${rlo}
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variable min_mass equal 1*4.0/3.0*PI*0.3*0.3*0.3
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variable a equal (-2.0*log(${coeffRes})/PI)^2
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variable a equal (-2.0*log(0.1)/PI)^2
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variable gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a))
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variable gamma_n equal sqrt(0.405284734569351*2*${kn}/${min_mass}/(1+0.25*$a))
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variable gamma_n equal sqrt(0.405284734569351*2*100000/${min_mass}/(1+0.25*$a))
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variable gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*$a))
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variable gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*0.405284734569351))
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variable gamma_t equal ${gamma_n}*0.5
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variable gamma_t equal 806.699778405191*0.5
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variable tcol equal PI/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
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variable tcol equal PI/sqrt(2*100000/${min_mass}-${gamma_n}/4.0)
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variable tcol equal PI/sqrt(2*100000/0.113097335529233-${gamma_n}/4.0)
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variable tcol equal PI/sqrt(2*100000/0.113097335529233-806.699778405191/4.0)
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variable dt equal ${tcol}*0.02
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variable dt equal 0.00236257621510454*0.02
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timestep ${dt}
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timestep 4.72515243020908e-05
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###############################################
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variable dumpfreq equal 1000
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variable logfreq equal 1000
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newton on
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atom_style sphere
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boundary p p f
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region boxreg block 0 20 0 20 0 20
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create_box 1 boxreg
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Created orthogonal box = (0 0 0) to (20 20 20)
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1 by 2 by 2 MPI processor grid
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pair_style gran/hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
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pair_style gran/hertz/history 100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
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pair_style gran/hertz/history 100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1
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pair_style gran/hertz/history 100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1
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pair_style gran/hertz/history 100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1
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pair_style gran/hertz/history 100000 20000 806.699778405191 403.349889202595 0.5 1
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pair_coeff * *
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neighbor ${skin} bin
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neighbor 0.6 bin
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thermo ${logfreq}
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thermo 1000
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comm_style brick
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comm_modify mode multi group all vel yes
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balance 1.1 shift xyz 20 1.1
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Neighbor list info ...
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2 neighbor list requests
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update every 1 steps, delay 10 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 0
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ghost atom cutoff = 0
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binsize = 20 -> bins = 1 1 1
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fix bal all balance 10000 1.1 shift xyz 20 1.01
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####################### Options specific to pouring #########################
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region insreg cylinder z 10 10 8 10 18 side in units box
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region cylreg cylinder z 10 10 10 0 20 side in units box
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variable theta equal (step/400000)*2*PI
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region b1 block 2 18 9 11 0 4 side out rotate v_theta 10 10 0 0 0 1 units box
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region b2 block 9 11 2 18 0 3.99999 side out rotate v_theta 10 10 0 0 0 1 units box
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region mixer intersect 3 cylreg b1 b2 side in
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fix grav all gravity ${gravity} vector 0 0 -1
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fix grav all gravity 1 vector 0 0 -1
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fix 1 all nve/sphere
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fix mixwall all wall/gran/region hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
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fix mixwall all wall/gran/region hertz/history 100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
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fix mixwall all wall/gran/region hertz/history 100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
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fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1 region mixer
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fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1 region mixer
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fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 403.349889202595 0.5 1 region mixer
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fix ins all pour 1000 1 42424 region insreg diam range ${dlo} ${dhi} dens ${density} ${density}
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fix ins all pour 1000 1 42424 region insreg diam range 0.6 ${dhi} dens ${density} ${density}
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fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens ${density} ${density}
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fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens 1 ${density}
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fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens 1 1
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Particle insertion: 444 every 84653 steps, 1000 by step 169307
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#dump 1 all custom ${dumpfreq} ${name}_pour.dump # id type mass diameter x y z
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#dump 2 all image 4000 image.*.jpg type type # axes yes 0.8 0.02 view 60 -30 zoom 1.5 # box no 0.0 axes no 0.0 0.0
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#dump_modify 2 pad 6
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thermo_style custom step cpu atoms ke v_theta
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WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:690)
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thermo_modify flush yes lost warn
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run 200000
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Neighbor list info ...
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2 neighbor list requests
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update every 1 steps, delay 10 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 1.8
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ghost atom cutoff = 1.8
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binsize = 0.9 -> bins = 23 23 23
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Memory usage per processor = 2.76258 Mbytes
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Step CPU Atoms KinEng v_theta
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0 0 0 -0 0
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1000 0.10398197 444 -0 0.015707963
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2000 0.20485091 444 -0 0.031415927
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3000 0.3069241 444 -0 0.04712389
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4000 0.40875912 444 -0 0.062831853
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5000 0.50989199 444 -0 0.078539816
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6000 0.60949397 444 -0 0.09424778
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7000 0.708915 444 -0 0.10995574
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8000 0.80870605 444 -0 0.12566371
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9000 0.90752602 444 -0 0.14137167
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10000 1.0054469 444 -0 0.15707963
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11000 1.072515 444 -0 0.1727876
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12000 1.139096 444 -0 0.18849556
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13000 1.2049479 444 -0 0.20420352
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14000 1.2707851 444 -0 0.21991149
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15000 1.3377919 444 -0 0.23561945
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16000 1.405757 444 -0 0.25132741
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17000 1.471797 444 -0 0.26703538
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18000 1.538343 444 -0 0.28274334
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19000 1.6035659 444 -0 0.2984513
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20000 1.6690421 444 -0 0.31415927
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21000 1.729399 444 -0 0.32986723
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22000 1.7885301 444 -0 0.34557519
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23000 1.8496239 444 -0 0.36128316
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24000 1.913486 444 -0 0.37699112
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25000 1.977428 444 -0 0.39269908
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26000 2.04282 444 -0 0.40840704
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27000 2.1089439 444 -0 0.42411501
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28000 2.1759491 444 -0 0.43982297
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29000 2.243813 444 -0 0.45553093
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30000 2.312156 444 -0 0.4712389
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31000 2.3742449 444 -0 0.48694686
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32000 2.435447 444 -0 0.50265482
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33000 2.495765 444 -0 0.51836279
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34000 2.556865 444 -0 0.53407075
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35000 2.6201291 444 -0 0.54977871
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36000 2.6843281 444 -0 0.56548668
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37000 2.7505059 444 -0 0.58119464
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38000 2.817348 444 -0 0.5969026
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39000 2.8837919 444 -0 0.61261057
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40000 2.951216 444 -0 0.62831853
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41000 3.012845 444 -0 0.64402649
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42000 3.074688 444 -0 0.65973446
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43000 3.13556 444 -0 0.67544242
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44000 3.1965449 444 -0 0.69115038
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45000 3.2582009 444 -0 0.70685835
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46000 3.3201971 444 -0 0.72256631
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47000 3.3819821 444 -0 0.73827427
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48000 3.4455171 444 -0 0.75398224
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49000 3.508738 444 -0 0.7696902
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50000 3.5734961 444 -0 0.78539816
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51000 3.6333289 444 -0 0.80110613
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52000 3.694531 444 -0 0.81681409
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53000 3.757041 444 -0 0.83252205
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54000 3.820612 444 -0 0.84823002
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55000 3.8852711 444 -0 0.86393798
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56000 3.950211 444 -0 0.87964594
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57000 4.015795 444 -0 0.89535391
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58000 4.0818441 444 -0 0.91106187
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59000 4.1476641 444 -0 0.92676983
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60000 4.2141221 444 -0 0.9424778
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61000 4.276612 444 -0 0.95818576
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62000 4.339952 444 -0 0.97389372
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63000 4.404351 444 -0 0.98960169
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64000 4.4700999 444 -0 1.0053096
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65000 4.5364759 444 -0 1.0210176
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66000 4.605715 444 -0 1.0367256
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67000 4.677629 444 -0 1.0524335
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68000 4.7494669 444 -0 1.0681415
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69000 4.8212609 444 -0 1.0838495
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70000 4.894326 444 -0 1.0995574
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71000 4.9639831 444 -0 1.1152654
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72000 5.0345671 444 -0 1.1309734
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73000 5.1048689 444 -0 1.1466813
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74000 5.175498 444 -0 1.1623893
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75000 5.2477591 444 -0 1.1780972
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76000 5.3205409 444 -0 1.1938052
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77000 5.394573 444 -0 1.2095132
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78000 5.4685309 444 -0 1.2252211
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79000 5.5431759 444 -0 1.2409291
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80000 5.6212411 444 -0 1.2566371
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81000 5.6890731 444 -0 1.272345
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82000 5.7582159 444 -0 1.288053
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83000 5.8298571 444 -0 1.303761
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84000 5.9029069 444 -0 1.3194689
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85000 6.0061591 888 -0 1.3351769
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86000 6.1541281 888 -0 1.3508848
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87000 6.3004079 888 -0 1.3665928
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88000 6.4460659 888 -0 1.3823008
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89000 6.591886 888 -0 1.3980087
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90000 6.7376239 888 -0 1.4137167
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91000 6.850734 888 -0 1.4294247
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92000 6.9631939 888 -0 1.4451326
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93000 7.0786369 888 -0 1.4608406
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94000 7.1958089 888 -0 1.4765485
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95000 7.3130219 888 -0 1.4922565
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96000 7.430867 888 -0 1.5079645
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97000 7.5498819 888 -0 1.5236724
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98000 7.673686 888 -0 1.5393804
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99000 7.7966969 888 -0 1.5550884
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100000 7.921546 888 -0 1.5707963
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101000 8.0396931 888 -0 1.5865043
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102000 8.1583791 888 -0 1.6022123
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103000 8.276613 888 -0 1.6179202
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104000 8.3952639 888 -0 1.6336282
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105000 8.514308 888 -0 1.6493361
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106000 8.6361439 888 -0 1.6650441
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107000 8.762326 888 -0 1.6807521
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108000 8.8900061 888 -0 1.69646
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109000 9.0179789 888 -0 1.712168
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110000 9.1496761 888 -0 1.727876
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111000 9.2728269 888 -0 1.7435839
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112000 9.398078 888 -0 1.7592919
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113000 9.519841 888 -0 1.7749998
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114000 9.642343 888 -0 1.7907078
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115000 9.7643859 888 -0 1.8064158
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116000 9.8893411 888 -0 1.8221237
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117000 10.01295 888 -0 1.8378317
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118000 10.137574 888 -0 1.8535397
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119000 10.263738 888 -0 1.8692476
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120000 10.388673 888 -0 1.8849556
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121000 10.507599 888 -0 1.9006636
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122000 10.623901 888 -0 1.9163715
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123000 10.740251 888 -0 1.9320795
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124000 10.857467 888 -0 1.9477874
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125000 10.975856 888 -0 1.9634954
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126000 11.096002 888 -0 1.9792034
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127000 11.217218 888 -0 1.9949113
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128000 11.341925 888 -0 2.0106193
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129000 11.467607 888 -0 2.0263273
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130000 11.59517 888 -0 2.0420352
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131000 11.71358 888 -0 2.0577432
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132000 11.833024 888 -0 2.0734512
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133000 11.954967 888 -0 2.0891591
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134000 12.078482 888 -0 2.1048671
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135000 12.202435 888 -0 2.120575
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136000 12.327202 888 -0 2.136283
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137000 12.453334 888 -0 2.151991
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138000 12.583142 888 -0 2.1676989
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139000 12.718396 888 -0 2.1834069
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140000 12.854459 888 -0 2.1991149
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141000 12.981024 888 -0 2.2148228
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142000 13.108875 888 -0 2.2305308
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143000 13.236802 888 -0 2.2462387
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144000 13.36691 888 -0 2.2619467
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145000 13.500126 888 -0 2.2776547
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146000 13.633748 888 -0 2.2933626
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147000 13.769077 888 -0 2.3090706
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148000 13.90522 888 -0 2.3247786
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149000 14.040417 888 -0 2.3404865
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150000 14.176483 888 -0 2.3561945
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151000 14.303389 888 -0 2.3719025
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152000 14.432187 888 -0 2.3876104
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153000 14.559857 888 -0 2.4033184
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154000 14.691256 888 -0 2.4190263
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155000 14.823413 888 -0 2.4347343
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156000 14.956581 888 -0 2.4504423
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157000 15.090666 888 -0 2.4661502
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158000 15.228012 888 -0 2.4818582
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159000 15.364569 888 -0 2.4975662
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160000 15.501847 888 -0 2.5132741
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161000 15.642772 888 -0 2.5289821
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162000 15.783889 888 -0 2.54469
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163000 15.926508 888 -0 2.560398
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164000 16.07293 888 -0 2.576106
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165000 16.221293 888 -0 2.5918139
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166000 16.371738 888 -0 2.6075219
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167000 16.523027 888 -0 2.6232299
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168000 16.675525 888 -0 2.6389378
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169000 16.830527 888 -0 2.6546458
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170000 16.989955 1000 -0 2.6703538
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171000 17.14772 1000 -0 2.6860617
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172000 17.305565 1000 -0 2.7017697
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173000 17.463517 1000 -0 2.7174776
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174000 17.623862 1000 -0 2.7331856
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175000 17.788165 1000 -0 2.7488936
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176000 17.952028 1000 -0 2.7646015
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177000 18.119269 1000 -0 2.7803095
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178000 18.285714 1000 -0 2.7960175
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179000 18.452439 1000 -0 2.8117254
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180000 18.621119 1000 -0 2.8274334
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181000 18.777982 1000 -0 2.8431414
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182000 18.940248 1000 -0 2.8588493
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183000 19.105385 1000 -0 2.8745573
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184000 19.273934 1000 -0 2.8902652
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185000 19.450922 1000 -0 2.9059732
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186000 19.625563 1000 -0 2.9216812
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187000 19.801329 1000 -0 2.9373891
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188000 19.976869 1000 -0 2.9530971
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189000 20.151134 1000 -0 2.9688051
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190000 20.319214 1000 -0 2.984513
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191000 20.485033 1000 -0 3.000221
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192000 20.652254 1000 -0 3.0159289
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193000 20.820876 1000 -0 3.0316369
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194000 20.988597 1000 -0 3.0473449
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195000 21.154705 1000 -0 3.0630528
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196000 21.322634 1000 -0 3.0787608
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197000 21.489394 1000 -0 3.0944688
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198000 21.659512 1000 -0 3.1101767
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199000 21.833228 1000 -0 3.1258847
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200000 22.006487 1000 -0 3.1415927
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Loop time of 22.0065 on 4 procs for 200000 steps with 1000 atoms
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Performance: 37102.953 tau/day, 9088.222 timesteps/s
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99.1% CPU use with 4 MPI tasks x no OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0.67692 | 1.166 | 1.6704 | 44.4 | 5.30
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Neigh | 0.01562 | 0.018723 | 0.0222 | 2.3 | 0.09
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Comm | 3.845 | 4.4454 | 5.0282 | 26.1 | 20.20
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Output | 0.0043464 | 0.0052906 | 0.0056455 | 0.8 | 0.02
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Modify | 12.239 | 13.152 | 14.347 | 25.1 | 59.76
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Other | | 3.22 | | | 14.63
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Nlocal: 250 ave 257 max 244 min
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Histogram: 1 1 0 0 0 0 1 0 0 1
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Nghost: 305.75 ave 372 max 242 min
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Histogram: 1 0 0 1 0 1 0 0 0 1
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Neighs: 982.5 ave 1380 max 572 min
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Histogram: 2 0 0 0 0 0 0 0 0 2
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Total # of neighbors = 3930
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Ave neighs/atom = 3.93
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Neighbor list builds = 216
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Dangerous builds = 0
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unfix ins
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run 200000
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Neighbor list info ...
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2 neighbor list requests
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update every 1 steps, delay 10 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 1.79826
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ghost atom cutoff = 1.79826
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binsize = 0.899132 -> bins = 23 23 23
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Memory usage per processor = 8.63577 Mbytes
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Step CPU Atoms KinEng v_theta
|
|
200000 0 1000 0.90316284 3.1415927
|
|
201000 0.16518497 1000 0.8867387 3.1573006
|
|
202000 0.33065486 1000 0.88745316 3.1730086
|
|
203000 0.4991529 1000 0.87793424 3.1887165
|
|
204000 0.6695168 1000 0.87009551 3.2044245
|
|
205000 0.83599901 1000 0.86431259 3.2201325
|
|
206000 1.001833 1000 0.85039776 3.2358404
|
|
207000 1.166487 1000 0.82897867 3.2515484
|
|
208000 1.3331649 1000 0.82069182 3.2672564
|
|
209000 1.5031869 1000 0.82349024 3.2829643
|
|
210000 1.6751509 1000 0.81859611 3.2986723
|
|
211000 1.846776 1000 0.82053992 3.3143802
|
|
212000 2.0198569 1000 0.82832647 3.3300882
|
|
213000 2.1932938 1000 0.82676865 3.3457962
|
|
214000 2.3676898 1000 0.82425781 3.3615041
|
|
215000 2.5424879 1000 0.83127148 3.3772121
|
|
216000 2.715348 1000 0.83925992 3.3929201
|
|
217000 2.8844988 1000 0.84390181 3.408628
|
|
218000 3.0485029 1000 0.85705713 3.424336
|
|
219000 3.211767 1000 0.85325946 3.440044
|
|
220000 3.3767338 1000 0.85641557 3.4557519
|
|
221000 3.5419538 1000 0.86922287 3.4714599
|
|
222000 3.710084 1000 0.89591143 3.4871678
|
|
223000 3.880873 1000 0.90395821 3.5028758
|
|
224000 4.054816 1000 0.91161431 3.5185838
|
|
225000 4.2260928 1000 0.92716425 3.5342917
|
|
226000 4.3996999 1000 0.91664886 3.5499997
|
|
227000 4.5679309 1000 0.9128853 3.5657077
|
|
228000 4.7353978 1000 0.91063998 3.5814156
|
|
229000 4.9045198 1000 0.90616712 3.5971236
|
|
230000 5.079206 1000 0.9042797 3.6128316
|
|
231000 5.252316 1000 0.91588137 3.6285395
|
|
232000 5.4218178 1000 0.92322871 3.6442475
|
|
233000 5.592988 1000 0.92370885 3.6599554
|
|
234000 5.753634 1000 0.91531408 3.6756634
|
|
235000 5.9159088 1000 0.91016621 3.6913714
|
|
236000 6.0817358 1000 0.89501073 3.7070793
|
|
237000 6.249059 1000 0.88504426 3.7227873
|
|
238000 6.4182718 1000 0.88268268 3.7384953
|
|
239000 6.5897119 1000 0.87811868 3.7542032
|
|
240000 6.758353 1000 0.88272663 3.7699112
|
|
241000 6.928581 1000 0.87751512 3.7856191
|
|
242000 7.0978079 1000 0.87017281 3.8013271
|
|
243000 7.268832 1000 0.86587613 3.8170351
|
|
244000 7.439904 1000 0.85157794 3.832743
|
|
245000 7.6105168 1000 0.8291738 3.848451
|
|
246000 7.7830069 1000 0.82315948 3.864159
|
|
247000 7.9578128 1000 0.81231703 3.8798669
|
|
248000 8.134944 1000 0.79931415 3.8955749
|
|
249000 8.3061719 1000 0.78877578 3.9112829
|
|
250000 8.476692 1000 0.78519942 3.9269908
|
|
251000 8.6525538 1000 0.78837716 3.9426988
|
|
252000 8.8288019 1000 0.79621044 3.9584067
|
|
253000 9.006846 1000 0.78744385 3.9741147
|
|
254000 9.1839809 1000 0.78810047 3.9898227
|
|
255000 9.3600328 1000 0.79053484 4.0055306
|
|
256000 9.538172 1000 0.79976932 4.0212386
|
|
257000 9.7188668 1000 0.81724577 4.0369466
|
|
258000 9.9032769 1000 0.81135963 4.0526545
|
|
259000 10.084928 1000 0.82017101 4.0683625
|
|
260000 10.266693 1000 0.82352898 4.0840704
|
|
261000 10.449515 1000 0.81662689 4.0997784
|
|
262000 10.630166 1000 0.82707216 4.1154864
|
|
263000 10.812056 1000 0.82001278 4.1311943
|
|
264000 10.991668 1000 0.81136264 4.1469023
|
|
265000 11.172162 1000 0.80507755 4.1626103
|
|
266000 11.353101 1000 0.80247583 4.1783182
|
|
267000 11.533476 1000 0.78870449 4.1940262
|
|
268000 11.716022 1000 0.77775428 4.2097342
|
|
269000 11.900351 1000 0.78170639 4.2254421
|
|
270000 12.083609 1000 0.78023258 4.2411501
|
|
271000 12.266298 1000 0.76257507 4.256858
|
|
272000 12.449454 1000 0.75871195 4.272566
|
|
273000 12.633748 1000 0.75909277 4.288274
|
|
274000 12.820916 1000 0.76329234 4.3039819
|
|
275000 13.004197 1000 0.76188557 4.3196899
|
|
276000 13.188507 1000 0.75974847 4.3353979
|
|
277000 13.372202 1000 0.75392834 4.3511058
|
|
278000 13.557712 1000 0.74837333 4.3668138
|
|
279000 13.747933 1000 0.74268307 4.3825218
|
|
280000 13.934871 1000 0.73840427 4.3982297
|
|
281000 14.11717 1000 0.73817851 4.4139377
|
|
282000 14.30208 1000 0.73666069 4.4296456
|
|
283000 14.485039 1000 0.74064713 4.4453536
|
|
284000 14.671087 1000 0.73916222 4.4610616
|
|
285000 14.863267 1000 0.73225442 4.4767695
|
|
286000 15.050005 1000 0.7312283 4.4924775
|
|
287000 15.234556 1000 0.72947519 4.5081855
|
|
288000 15.422593 1000 0.72469992 4.5238934
|
|
289000 15.609153 1000 0.70843645 4.5396014
|
|
290000 15.797906 1000 0.69731415 4.5553093
|
|
291000 15.983677 1000 0.69099822 4.5710173
|
|
292000 16.168935 1000 0.68855366 4.5867253
|
|
293000 16.355853 1000 0.69826256 4.6024332
|
|
294000 16.544831 1000 0.70211589 4.6181412
|
|
295000 16.733875 1000 0.7055847 4.6338492
|
|
296000 16.918698 1000 0.69692413 4.6495571
|
|
297000 17.100869 1000 0.68027227 4.6652651
|
|
298000 17.280404 1000 0.67254493 4.6809731
|
|
299000 17.46406 1000 0.67767946 4.696681
|
|
300000 17.652748 1000 0.68480172 4.712389
|
|
301000 17.84199 1000 0.67864643 4.7280969
|
|
302000 18.025759 1000 0.67656342 4.7438049
|
|
303000 18.208747 1000 0.67719641 4.7595129
|
|
304000 18.391225 1000 0.68049491 4.7752208
|
|
305000 18.576276 1000 0.68230722 4.7909288
|
|
306000 18.764125 1000 0.67985 4.8066368
|
|
307000 18.956063 1000 0.67790944 4.8223447
|
|
308000 19.147159 1000 0.6836647 4.8380527
|
|
309000 19.339173 1000 0.69705355 4.8537606
|
|
310000 19.530591 1000 0.69858847 4.8694686
|
|
311000 19.720214 1000 0.69448554 4.8851766
|
|
312000 19.907717 1000 0.68878539 4.9008845
|
|
313000 20.088793 1000 0.68810484 4.9165925
|
|
314000 20.268118 1000 0.68483484 4.9323005
|
|
315000 20.445564 1000 0.67732034 4.9480084
|
|
316000 20.627415 1000 0.67943319 4.9637164
|
|
317000 20.807826 1000 0.67326868 4.9794244
|
|
318000 20.983587 1000 0.67762092 4.9951323
|
|
319000 21.156655 1000 0.68914624 5.0108403
|
|
320000 21.331391 1000 0.69872806 5.0265482
|
|
321000 21.506313 1000 0.71510434 5.0422562
|
|
322000 21.679505 1000 0.71452122 5.0579642
|
|
323000 21.85396 1000 0.71765429 5.0736721
|
|
324000 22.02904 1000 0.72748838 5.0893801
|
|
325000 22.205191 1000 0.72974854 5.1050881
|
|
326000 22.38063 1000 0.73324928 5.120796
|
|
327000 22.555817 1000 0.72479525 5.136504
|
|
328000 22.729859 1000 0.71942855 5.152212
|
|
329000 22.903234 1000 0.71890587 5.1679199
|
|
330000 23.078575 1000 0.73495891 5.1836279
|
|
331000 23.252865 1000 0.74306733 5.1993358
|
|
332000 23.427175 1000 0.75274051 5.2150438
|
|
333000 23.604881 1000 0.75981346 5.2307518
|
|
334000 23.789045 1000 0.75410165 5.2464597
|
|
335000 23.971105 1000 0.74802374 5.2621677
|
|
336000 24.150954 1000 0.73111266 5.2778757
|
|
337000 24.331991 1000 0.72226021 5.2935836
|
|
338000 24.515157 1000 0.70866271 5.3092916
|
|
339000 24.69639 1000 0.70253496 5.3249995
|
|
340000 24.879524 1000 0.69381505 5.3407075
|
|
341000 25.061928 1000 0.68285569 5.3564155
|
|
342000 25.2437 1000 0.67262303 5.3721234
|
|
343000 25.423809 1000 0.67160137 5.3878314
|
|
344000 25.605531 1000 0.67658439 5.4035394
|
|
345000 25.78848 1000 0.67113748 5.4192473
|
|
346000 25.969866 1000 0.67506296 5.4349553
|
|
347000 26.152485 1000 0.67686518 5.4506633
|
|
348000 26.335445 1000 0.68878941 5.4663712
|
|
349000 26.522271 1000 0.70728493 5.4820792
|
|
350000 26.709942 1000 0.70870657 5.4977871
|
|
351000 26.889998 1000 0.71541489 5.5134951
|
|
352000 27.069872 1000 0.71827633 5.5292031
|
|
353000 27.249259 1000 0.7099127 5.544911
|
|
354000 27.428386 1000 0.70507946 5.560619
|
|
355000 27.607797 1000 0.70709703 5.576327
|
|
356000 27.788887 1000 0.70637714 5.5920349
|
|
357000 27.975344 1000 0.7088694 5.6077429
|
|
358000 28.164236 1000 0.70907948 5.6234508
|
|
359000 28.352999 1000 0.71504714 5.6391588
|
|
360000 28.539172 1000 0.71417205 5.6548668
|
|
361000 28.722691 1000 0.70716852 5.6705747
|
|
362000 28.906856 1000 0.70193967 5.6862827
|
|
363000 29.087598 1000 0.69786793 5.7019907
|
|
364000 29.268141 1000 0.68714789 5.7176986
|
|
365000 29.450765 1000 0.68170443 5.7334066
|
|
366000 29.633131 1000 0.67832571 5.7491146
|
|
367000 29.816219 1000 0.67809457 5.7648225
|
|
368000 29.999479 1000 0.66886004 5.7805305
|
|
369000 30.182675 1000 0.67233336 5.7962384
|
|
370000 30.36698 1000 0.67433369 5.8119464
|
|
371000 30.550787 1000 0.67478226 5.8276544
|
|
372000 30.736018 1000 0.67882814 5.8433623
|
|
373000 30.922576 1000 0.68494254 5.8590703
|
|
374000 31.107558 1000 0.69046765 5.8747783
|
|
375000 31.291329 1000 0.69398953 5.8904862
|
|
376000 31.474582 1000 0.68692367 5.9061942
|
|
377000 31.656979 1000 0.674184 5.9219022
|
|
378000 31.83851 1000 0.65899449 5.9376101
|
|
379000 32.019869 1000 0.65198402 5.9533181
|
|
380000 32.200375 1000 0.64366122 5.969026
|
|
381000 32.381651 1000 0.64443345 5.984734
|
|
382000 32.561897 1000 0.64655912 6.000442
|
|
383000 32.743947 1000 0.64894161 6.0161499
|
|
384000 32.927231 1000 0.65259561 6.0318579
|
|
385000 33.11882 1000 0.65230446 6.0475659
|
|
386000 33.311072 1000 0.64177598 6.0632738
|
|
387000 33.50435 1000 0.63900349 6.0789818
|
|
388000 33.695734 1000 0.64611067 6.0946897
|
|
389000 33.885915 1000 0.64943993 6.1103977
|
|
390000 34.076093 1000 0.66303716 6.1261057
|
|
391000 34.264909 1000 0.68916583 6.1418136
|
|
392000 34.45411 1000 0.71501556 6.1575216
|
|
393000 34.644116 1000 0.73685375 6.1732296
|
|
394000 34.834608 1000 0.74461041 6.1889375
|
|
395000 35.025693 1000 0.75251204 6.2046455
|
|
396000 35.217372 1000 0.75493054 6.2203535
|
|
397000 35.407008 1000 0.77028775 6.2360614
|
|
398000 35.594868 1000 0.7686439 6.2517694
|
|
399000 35.778411 1000 0.75167376 6.2674773
|
|
400000 35.962646 1000 0.73505917 6.2831853
|
|
Loop time of 35.9627 on 4 procs for 200000 steps with 1000 atoms
|
|
|
|
Performance: 22704.278 tau/day, 5561.323 timesteps/s
|
|
99.0% CPU use with 4 MPI tasks x no OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 2.0549 | 3.4094 | 4.9773 | 72.1 | 9.48
|
|
Neigh | 0.022087 | 0.026923 | 0.032716 | 2.9 | 0.07
|
|
Comm | 7.3555 | 9.2143 | 10.854 | 53.0 | 25.62
|
|
Output | 0.0046289 | 0.0058927 | 0.0071292 | 1.4 | 0.02
|
|
Modify | 17.504 | 19.601 | 22.342 | 44.9 | 54.50
|
|
Other | | 3.705 | | | 10.30
|
|
|
|
Nlocal: 250 ave 269 max 225 min
|
|
Histogram: 1 0 0 0 0 1 0 1 0 1
|
|
Nghost: 408.5 ave 500 max 320 min
|
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
|
Neighs: 1262.25 ave 1665 max 880 min
|
|
Histogram: 1 0 1 0 0 0 0 1 0 1
|
|
|
|
Total # of neighbors = 5049
|
|
Ave neighs/atom = 5.049
|
|
Neighbor list builds = 166
|
|
Dangerous builds = 0
|
|
Total wall time: 0:00:57
|