forked from lijiext/lammps
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 1 by 1 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 = 2.80779 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 0.16771817 444 -0 0.015707963
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2000 0.33019304 444 -0 0.031415927
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3000 0.4894321 444 -0 0.04712389
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4000 0.64879322 444 -0 0.062831853
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5000 0.80816507 444 -0 0.078539816
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6000 0.96711302 444 -0 0.09424778
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7000 1.1265812 444 -0 0.10995574
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8000 1.286129 444 -0 0.12566371
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9000 1.445487 444 -0 0.14137167
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10000 1.6056392 444 -0 0.15707963
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11000 1.7650061 444 -0 0.1727876
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12000 1.9249642 444 -0 0.18849556
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13000 2.0851831 444 -0 0.20420352
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14000 2.244523 444 -0 0.21991149
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15000 2.4043641 444 -0 0.23561945
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16000 2.5638251 444 -0 0.25132741
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17000 2.7155962 444 -0 0.26703538
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18000 2.866904 444 -0 0.28274334
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19000 3.0188181 444 -0 0.2984513
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20000 3.17047 444 -0 0.31415927
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21000 3.3214712 444 -0 0.32986723
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22000 3.472692 444 -0 0.34557519
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23000 3.6240032 444 -0 0.36128316
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24000 3.7753551 444 -0 0.37699112
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25000 3.926239 444 -0 0.39269908
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26000 4.0782132 444 -0 0.40840704
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27000 4.2301712 444 -0 0.42411501
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28000 4.382267 444 -0 0.43982297
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29000 4.5339992 444 -0 0.45553093
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30000 4.6860211 444 -0 0.4712389
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31000 4.8376751 444 -0 0.48694686
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32000 4.989748 444 -0 0.50265482
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33000 5.1418142 444 -0 0.51836279
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34000 5.294476 444 -0 0.53407075
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35000 5.4472861 444 -0 0.54977871
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36000 5.5999811 444 -0 0.56548668
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37000 5.7526181 444 -0 0.58119464
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38000 5.9061031 444 -0 0.5969026
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39000 6.0593271 444 -0 0.61261057
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40000 6.2123802 444 -0 0.62831853
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41000 6.3652351 444 -0 0.64402649
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42000 6.5186551 444 -0 0.65973446
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43000 6.672132 444 -0 0.67544242
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44000 6.8245611 444 -0 0.69115038
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45000 6.9778051 444 -0 0.70685835
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46000 7.131258 444 -0 0.72256631
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47000 7.2841291 444 -0 0.73827427
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48000 7.4379101 444 -0 0.75398224
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49000 7.5915 444 -0 0.7696902
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50000 7.7461231 444 -0 0.78539816
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51000 7.9047191 444 -0 0.80110613
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52000 8.0634432 444 -0 0.81681409
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53000 8.2226322 444 -0 0.83252205
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54000 8.3817451 444 -0 0.84823002
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55000 8.5419021 444 -0 0.86393798
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56000 8.701194 444 -0 0.87964594
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57000 8.8613491 444 -0 0.89535391
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58000 9.0211501 444 -0 0.91106187
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59000 9.180917 444 -0 0.92676983
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60000 9.341964 444 -0 0.9424778
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61000 9.5026722 444 -0 0.95818576
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62000 9.6630561 444 -0 0.97389372
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63000 9.8236201 444 -0 0.98960169
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64000 9.9854801 444 -0 1.0053096
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65000 10.148318 444 -0 1.0210176
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66000 10.311267 444 -0 1.0367256
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67000 10.476498 444 -0 1.0524335
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68000 10.640768 444 -0 1.0681415
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69000 10.804709 444 -0 1.0838495
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70000 10.969271 444 -0 1.0995574
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71000 11.133451 444 -0 1.1152654
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72000 11.299253 444 -0 1.1309734
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73000 11.463999 444 -0 1.1466813
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74000 11.62903 444 -0 1.1623893
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75000 11.795109 444 -0 1.1780972
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76000 11.962154 444 -0 1.1938052
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77000 12.1292 444 -0 1.2095132
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78000 12.298106 444 -0 1.2252211
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79000 12.46744 444 -0 1.2409291
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80000 12.637916 444 -0 1.2566371
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81000 12.808494 444 -0 1.272345
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82000 12.97813 444 -0 1.288053
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83000 13.149135 444 -0 1.303761
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84000 13.32082 444 -0 1.3194689
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85000 13.56205 888 -0 1.3351769
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86000 13.908699 888 -0 1.3508848
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87000 14.254615 888 -0 1.3665928
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88000 14.600851 888 -0 1.3823008
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89000 14.946295 888 -0 1.3980087
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90000 15.291315 888 -0 1.4137167
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91000 15.637396 888 -0 1.4294247
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92000 15.981426 888 -0 1.4451326
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93000 16.327519 888 -0 1.4608406
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94000 16.675434 888 -0 1.4765485
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95000 17.023515 888 -0 1.4922565
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96000 17.372152 888 -0 1.5079645
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97000 17.719346 888 -0 1.5236724
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98000 18.067159 888 -0 1.5393804
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99000 18.414599 888 -0 1.5550884
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100000 18.764775 888 -0 1.5707963
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101000 19.114239 888 -0 1.5865043
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102000 19.464285 888 -0 1.6022123
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103000 19.813956 888 -0 1.6179202
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104000 20.163276 888 -0 1.6336282
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105000 20.553808 888 -0 1.6493361
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106000 20.904093 888 -0 1.6650441
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107000 21.25918 888 -0 1.6807521
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108000 21.615056 888 -0 1.69646
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109000 21.971067 888 -0 1.712168
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110000 22.326407 888 -0 1.727876
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111000 22.68062 888 -0 1.7435839
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112000 23.03653 888 -0 1.7592919
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113000 23.39161 888 -0 1.7749998
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114000 23.751273 888 -0 1.7907078
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115000 24.106946 888 -0 1.8064158
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116000 24.461182 888 -0 1.8221237
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117000 24.797533 888 -0 1.8378317
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118000 25.133924 888 -0 1.8535397
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119000 25.472617 888 -0 1.8692476
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120000 25.810786 888 -0 1.8849556
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121000 26.147399 888 -0 1.9006636
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122000 26.485868 888 -0 1.9163715
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123000 26.82395 888 -0 1.9320795
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124000 27.162345 888 -0 1.9477874
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125000 27.501503 888 -0 1.9634954
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126000 27.843318 888 -0 1.9792034
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127000 28.183379 888 -0 1.9949113
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128000 28.525406 888 -0 2.0106193
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129000 28.869601 888 -0 2.0263273
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130000 29.216232 888 -0 2.0420352
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131000 29.562432 888 -0 2.0577432
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132000 29.95624 888 -0 2.0734512
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133000 30.308919 888 -0 2.0891591
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134000 30.662184 888 -0 2.1048671
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135000 31.015509 888 -0 2.120575
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136000 31.366132 888 -0 2.136283
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137000 31.71887 888 -0 2.151991
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138000 32.0723 888 -0 2.1676989
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139000 32.428657 888 -0 2.1834069
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140000 32.781484 888 -0 2.1991149
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141000 33.133593 888 -0 2.2148228
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142000 33.487376 888 -0 2.2305308
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143000 33.838656 888 -0 2.2462387
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144000 34.188723 888 -0 2.2619467
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145000 34.540083 888 -0 2.2776547
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146000 34.895624 888 -0 2.2933626
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147000 35.25153 888 -0 2.3090706
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148000 35.607482 888 -0 2.3247786
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149000 35.9642 888 -0 2.3404865
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150000 36.321759 888 -0 2.3561945
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151000 36.667172 888 -0 2.3719025
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152000 37.013822 888 -0 2.3876104
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153000 37.362735 888 -0 2.4033184
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154000 37.712576 888 -0 2.4190263
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155000 38.063528 888 -0 2.4347343
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156000 38.414666 888 -0 2.4504423
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157000 38.766119 888 -0 2.4661502
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158000 39.115828 888 -0 2.4818582
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159000 39.470874 888 -0 2.4975662
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160000 39.827871 888 -0 2.5132741
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161000 40.184885 888 -0 2.5289821
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162000 40.543838 888 -0 2.54469
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163000 40.901814 888 -0 2.560398
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164000 41.258631 888 -0 2.576106
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165000 41.619086 888 -0 2.5918139
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166000 41.977332 888 -0 2.6075219
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167000 42.33775 888 -0 2.6232299
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168000 42.701344 888 -0 2.6389378
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169000 43.067663 888 -0 2.6546458
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170000 43.461687 1000 -0 2.6703538
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171000 43.866086 1000 -0 2.6860617
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172000 44.271406 1000 -0 2.7017697
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173000 44.677085 1000 -0 2.7174776
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174000 45.082441 1000 -0 2.7331856
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175000 45.491593 1000 -0 2.7488936
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176000 45.903002 1000 -0 2.7646015
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177000 46.315031 1000 -0 2.7803095
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178000 46.726531 1000 -0 2.7960175
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179000 47.140818 1000 -0 2.8117254
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180000 47.553784 1000 -0 2.8274334
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181000 47.964021 1000 -0 2.8431414
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182000 48.376739 1000 -0 2.8588493
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183000 48.789612 1000 -0 2.8745573
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184000 49.204073 1000 -0 2.8902652
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185000 49.642401 1000 -0 2.9059732
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186000 50.083479 1000 -0 2.9216812
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187000 50.523357 1000 -0 2.9373891
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188000 50.963685 1000 -0 2.9530971
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189000 51.404166 1000 -0 2.9688051
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190000 51.849094 1000 -0 2.984513
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191000 52.291805 1000 -0 3.000221
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192000 52.731855 1000 -0 3.0159289
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193000 53.174104 1000 -0 3.0316369
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194000 53.619739 1000 -0 3.0473449
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195000 54.061019 1000 -0 3.0630528
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196000 54.501149 1000 -0 3.0787608
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197000 54.940486 1000 -0 3.0944688
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198000 55.381843 1000 -0 3.1101767
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199000 55.822243 1000 -0 3.1258847
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200000 56.264319 1000 -0 3.1415927
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Loop time of 56.2643 on 1 procs for 200000 steps with 1000 atoms
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Performance: 14511.970 tau/day, 3554.650 timesteps/s
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99.9% CPU use with 1 MPI tasks x no OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 4.6309 | 4.6309 | 4.6309 | 0.0 | 8.23
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Neigh | 0.071456 | 0.071456 | 0.071456 | 0.0 | 0.13
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Comm | 0.50064 | 0.50064 | 0.50064 | 0.0 | 0.89
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Output | 0.0039163 | 0.0039163 | 0.0039163 | 0.0 | 0.01
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Modify | 50.189 | 50.189 | 50.189 | 0.0 | 89.20
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Other | | 0.8688 | | | 1.54
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Nlocal: 1000 ave 1000 max 1000 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 183 ave 183 max 183 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 3926 ave 3926 max 3926 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 3926
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Ave neighs/atom = 3.926
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Neighbor list builds = 217
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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 = 8.62017 Mbytes
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Step CPU Atoms KinEng v_theta
|
|
200000 0 1000 0.90078559 3.1415927
|
|
201000 0.44072509 1000 0.90377135 3.1573006
|
|
202000 0.8800211 1000 0.89194106 3.1730086
|
|
203000 1.3210881 1000 0.8940532 3.1887165
|
|
204000 1.762887 1000 0.8967696 3.2044245
|
|
205000 2.2080901 1000 0.89758718 3.2201325
|
|
206000 2.6548181 1000 0.89434418 3.2358404
|
|
207000 3.1002531 1000 0.87633906 3.2515484
|
|
208000 3.547334 1000 0.86721615 3.2672564
|
|
209000 3.993988 1000 0.86214817 3.2829643
|
|
210000 4.4423161 1000 0.85463743 3.2986723
|
|
211000 4.889446 1000 0.85744914 3.3143802
|
|
212000 5.3357229 1000 0.84702799 3.3300882
|
|
213000 5.780273 1000 0.84375104 3.3457962
|
|
214000 6.2249129 1000 0.83820701 3.3615041
|
|
215000 6.670651 1000 0.83566708 3.3772121
|
|
216000 7.113143 1000 0.83620798 3.3929201
|
|
217000 7.5359521 1000 0.83581605 3.408628
|
|
218000 7.9623129 1000 0.84045719 3.424336
|
|
219000 8.3878851 1000 0.85410521 3.440044
|
|
220000 8.8153811 1000 0.84336839 3.4557519
|
|
221000 9.244349 1000 0.85145747 3.4714599
|
|
222000 9.6728511 1000 0.8476916 3.4871678
|
|
223000 10.104052 1000 0.8412701 3.5028758
|
|
224000 10.532736 1000 0.8390277 3.5185838
|
|
225000 10.959564 1000 0.8359107 3.5342917
|
|
226000 11.38617 1000 0.83920631 3.5499997
|
|
227000 11.814104 1000 0.83930526 3.5657077
|
|
228000 12.241758 1000 0.83152308 3.5814156
|
|
229000 12.67198 1000 0.81211079 3.5971236
|
|
230000 13.101597 1000 0.80395018 3.6128316
|
|
231000 13.532943 1000 0.79991397 3.6285395
|
|
232000 13.969412 1000 0.80828959 3.6442475
|
|
233000 14.403885 1000 0.80892923 3.6599554
|
|
234000 14.833452 1000 0.82048914 3.6756634
|
|
235000 15.266211 1000 0.8174713 3.6913714
|
|
236000 15.697822 1000 0.81898551 3.7070793
|
|
237000 16.133023 1000 0.82034714 3.7227873
|
|
238000 16.569559 1000 0.81950728 3.7384953
|
|
239000 17.006308 1000 0.82152915 3.7542032
|
|
240000 17.445493 1000 0.83217597 3.7699112
|
|
241000 17.885585 1000 0.83464253 3.7856191
|
|
242000 18.324268 1000 0.84326166 3.8013271
|
|
243000 18.763748 1000 0.84235055 3.8170351
|
|
244000 19.203869 1000 0.83325408 3.832743
|
|
245000 19.645 1000 0.82577315 3.848451
|
|
246000 20.08666 1000 0.83923456 3.864159
|
|
247000 20.530596 1000 0.84153419 3.8798669
|
|
248000 20.971984 1000 0.85768309 3.8955749
|
|
249000 21.413571 1000 0.86910799 3.9112829
|
|
250000 21.854153 1000 0.8775521 3.9269908
|
|
251000 22.302884 1000 0.87299296 3.9426988
|
|
252000 22.753789 1000 0.86613861 3.9584067
|
|
253000 23.202458 1000 0.85513456 3.9741147
|
|
254000 23.655372 1000 0.84629733 3.9898227
|
|
255000 24.108225 1000 0.84154885 4.0055306
|
|
256000 24.561535 1000 0.84162715 4.0212386
|
|
257000 25.012338 1000 0.83959672 4.0369466
|
|
258000 25.466506 1000 0.83577695 4.0526545
|
|
259000 25.919168 1000 0.83021368 4.0683625
|
|
260000 26.37215 1000 0.81106893 4.0840704
|
|
261000 26.823834 1000 0.79884608 4.0997784
|
|
262000 27.276505 1000 0.78360303 4.1154864
|
|
263000 27.728503 1000 0.77030843 4.1311943
|
|
264000 28.181969 1000 0.76127974 4.1469023
|
|
265000 28.636329 1000 0.75553065 4.1626103
|
|
266000 29.090593 1000 0.75332019 4.1783182
|
|
267000 29.549547 1000 0.74670528 4.1940262
|
|
268000 30.008774 1000 0.74216141 4.2097342
|
|
269000 30.463826 1000 0.74564756 4.2254421
|
|
270000 30.920159 1000 0.7416035 4.2411501
|
|
271000 31.377192 1000 0.73061389 4.256858
|
|
272000 31.836268 1000 0.71620113 4.272566
|
|
273000 32.291662 1000 0.70840181 4.288274
|
|
274000 32.743646 1000 0.70946906 4.3039819
|
|
275000 33.197723 1000 0.70418049 4.3196899
|
|
276000 33.651405 1000 0.69591327 4.3353979
|
|
277000 34.106289 1000 0.69499716 4.3511058
|
|
278000 34.564324 1000 0.69242545 4.3668138
|
|
279000 35.020887 1000 0.69690811 4.3825218
|
|
280000 35.478222 1000 0.70402124 4.3982297
|
|
281000 35.938226 1000 0.71936578 4.4139377
|
|
282000 36.39808 1000 0.72439386 4.4296456
|
|
283000 36.855587 1000 0.72221632 4.4453536
|
|
284000 37.309629 1000 0.70387029 4.4610616
|
|
285000 37.791869 1000 0.70505716 4.4767695
|
|
286000 38.277853 1000 0.70731734 4.4924775
|
|
287000 38.764774 1000 0.71149743 4.5081855
|
|
288000 39.24815 1000 0.70994023 4.5238934
|
|
289000 39.728005 1000 0.69794225 4.5396014
|
|
290000 40.206798 1000 0.6905751 4.5553093
|
|
291000 40.678802 1000 0.68652972 4.5710173
|
|
292000 41.147991 1000 0.6743341 4.5867253
|
|
293000 41.618836 1000 0.67357205 4.6024332
|
|
294000 42.08982 1000 0.66465346 4.6181412
|
|
295000 42.561323 1000 0.65587678 4.6338492
|
|
296000 43.034196 1000 0.65455827 4.6495571
|
|
297000 43.505748 1000 0.65135145 4.6652651
|
|
298000 43.975299 1000 0.65400349 4.6809731
|
|
299000 44.447556 1000 0.66186899 4.696681
|
|
300000 44.926073 1000 0.66844193 4.712389
|
|
301000 45.402658 1000 0.67720506 4.7280969
|
|
302000 45.880643 1000 0.68554918 4.7438049
|
|
303000 46.359444 1000 0.69321489 4.7595129
|
|
304000 46.841542 1000 0.70345329 4.7752208
|
|
305000 47.323539 1000 0.70172137 4.7909288
|
|
306000 47.809358 1000 0.70989191 4.8066368
|
|
307000 48.291664 1000 0.70546377 4.8223447
|
|
308000 48.770327 1000 0.70820389 4.8380527
|
|
309000 49.248974 1000 0.69637815 4.8537606
|
|
310000 49.72965 1000 0.68679532 4.8694686
|
|
311000 50.204503 1000 0.68824984 4.8851766
|
|
312000 50.683502 1000 0.68647935 4.9008845
|
|
313000 51.161407 1000 0.68289956 4.9165925
|
|
314000 51.638365 1000 0.68356788 4.9323005
|
|
315000 52.114341 1000 0.68269829 4.9480084
|
|
316000 52.590791 1000 0.67961769 4.9637164
|
|
317000 53.043198 1000 0.67437047 4.9794244
|
|
318000 53.499062 1000 0.66534726 4.9951323
|
|
319000 53.954004 1000 0.66052125 5.0108403
|
|
320000 54.409776 1000 0.65351962 5.0265482
|
|
321000 54.867935 1000 0.64155441 5.0422562
|
|
322000 55.324528 1000 0.63463177 5.0579642
|
|
323000 55.780399 1000 0.62945691 5.0736721
|
|
324000 56.239189 1000 0.63156746 5.0893801
|
|
325000 56.697767 1000 0.63883759 5.1050881
|
|
326000 57.155746 1000 0.64703516 5.120796
|
|
327000 57.618744 1000 0.65532057 5.136504
|
|
328000 58.083021 1000 0.66697061 5.152212
|
|
329000 58.547646 1000 0.66896271 5.1679199
|
|
330000 59.011518 1000 0.66551963 5.1836279
|
|
331000 59.478689 1000 0.65083894 5.1993358
|
|
332000 59.94887 1000 0.65171641 5.2150438
|
|
333000 60.416096 1000 0.65122777 5.2307518
|
|
334000 60.889826 1000 0.65844334 5.2464597
|
|
335000 61.363105 1000 0.66931264 5.2621677
|
|
336000 61.832482 1000 0.66847415 5.2778757
|
|
337000 62.300731 1000 0.65863495 5.2935836
|
|
338000 62.769011 1000 0.64977739 5.3092916
|
|
339000 63.232862 1000 0.6454395 5.3249995
|
|
340000 63.699228 1000 0.63484999 5.3407075
|
|
341000 64.165101 1000 0.62753448 5.3564155
|
|
342000 64.631118 1000 0.62781442 5.3721234
|
|
343000 65.099469 1000 0.63813963 5.3878314
|
|
344000 65.576568 1000 0.6485183 5.4035394
|
|
345000 66.054068 1000 0.67111606 5.4192473
|
|
346000 66.531747 1000 0.68435581 5.4349553
|
|
347000 67.007296 1000 0.69526046 5.4506633
|
|
348000 67.478242 1000 0.6876531 5.4663712
|
|
349000 67.944422 1000 0.67962108 5.4820792
|
|
350000 68.410281 1000 0.6800934 5.4977871
|
|
351000 68.862112 1000 0.67658657 5.5134951
|
|
352000 69.316476 1000 0.67043355 5.5292031
|
|
353000 69.76356 1000 0.66863154 5.544911
|
|
354000 70.212144 1000 0.65806572 5.560619
|
|
355000 70.658375 1000 0.6498301 5.576327
|
|
356000 71.103688 1000 0.64384284 5.5920349
|
|
357000 71.551545 1000 0.64228421 5.6077429
|
|
358000 72.001238 1000 0.6408188 5.6234508
|
|
359000 72.45158 1000 0.64388002 5.6391588
|
|
360000 72.906369 1000 0.64347896 5.6548668
|
|
361000 73.358316 1000 0.65055455 5.6705747
|
|
362000 73.814119 1000 0.65545061 5.6862827
|
|
363000 74.277034 1000 0.6667431 5.7019907
|
|
364000 74.737593 1000 0.6869856 5.7176986
|
|
365000 75.20209 1000 0.69651407 5.7334066
|
|
366000 75.667448 1000 0.70824091 5.7491146
|
|
367000 76.132389 1000 0.7144853 5.7648225
|
|
368000 76.596067 1000 0.71780876 5.7805305
|
|
369000 77.059749 1000 0.7159398 5.7962384
|
|
370000 77.519236 1000 0.70648968 5.8119464
|
|
371000 77.977404 1000 0.69796557 5.8276544
|
|
372000 78.434017 1000 0.69876891 5.8433623
|
|
373000 78.887217 1000 0.70908957 5.8590703
|
|
374000 79.341658 1000 0.70831124 5.8747783
|
|
375000 79.802381 1000 0.70631178 5.8904862
|
|
376000 80.265165 1000 0.70533876 5.9061942
|
|
377000 80.727821 1000 0.70097225 5.9219022
|
|
378000 81.187538 1000 0.70139806 5.9376101
|
|
379000 81.645627 1000 0.69691027 5.9533181
|
|
380000 82.105692 1000 0.69163881 5.969026
|
|
381000 82.56483 1000 0.68973183 5.984734
|
|
382000 83.025126 1000 0.68059207 6.000442
|
|
383000 83.482786 1000 0.68096466 6.0161499
|
|
384000 83.939808 1000 0.6698933 6.0318579
|
|
385000 84.418408 1000 0.66795846 6.0475659
|
|
386000 84.898757 1000 0.66153854 6.0632738
|
|
387000 85.376756 1000 0.66560025 6.0789818
|
|
388000 85.853575 1000 0.66671699 6.0946897
|
|
389000 86.32865 1000 0.66013733 6.1103977
|
|
390000 86.807772 1000 0.66181942 6.1261057
|
|
391000 87.290335 1000 0.66281334 6.1418136
|
|
392000 87.773899 1000 0.66657879 6.1575216
|
|
393000 88.248567 1000 0.66608992 6.1732296
|
|
394000 88.723817 1000 0.66128929 6.1889375
|
|
395000 89.200089 1000 0.65764538 6.2046455
|
|
396000 89.671826 1000 0.65073015 6.2203535
|
|
397000 90.142595 1000 0.64967355 6.2360614
|
|
398000 90.616654 1000 0.65193957 6.2517694
|
|
399000 91.093856 1000 0.64936977 6.2674773
|
|
400000 91.571678 1000 0.65849743 6.2831853
|
|
Loop time of 91.5717 on 1 procs for 200000 steps with 1000 atoms
|
|
|
|
Performance: 8916.580 tau/day, 2184.081 timesteps/s
|
|
99.9% CPU use with 1 MPI tasks x no OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 13.827 | 13.827 | 13.827 | 0.0 | 15.10
|
|
Neigh | 0.097679 | 0.097679 | 0.097679 | 0.0 | 0.11
|
|
Comm | 1.5668 | 1.5668 | 1.5668 | 0.0 | 1.71
|
|
Output | 0.0042615 | 0.0042615 | 0.0042615 | 0.0 | 0.00
|
|
Modify | 74.804 | 74.804 | 74.804 | 0.0 | 81.69
|
|
Other | | 1.273 | | | 1.39
|
|
|
|
Nlocal: 1000 ave 1000 max 1000 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Nghost: 289 ave 289 max 289 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Neighs: 5091 ave 5091 max 5091 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 5091
|
|
Ave neighs/atom = 5.091
|
|
Neighbor list builds = 160
|
|
Dangerous builds = 0
|
|
Total wall time: 0:02:27
|