mirror of https://github.com/lammps/lammps.git
603 lines
31 KiB
Groff
603 lines
31 KiB
Groff
LAMMPS (27 Nov 2018)
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OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
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using 1 OpenMP thread(s) per MPI task
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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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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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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair gran/hertz/history, perpetual
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attributes: half, newton on, size, history
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pair build: half/size/bin/newton
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stencil: half/bin/3d/newton
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bin: standard
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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 (src/output.cpp:705)
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thermo_modify flush yes lost warn
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run 200000
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Per MPI rank memory allocation (min/avg/max) = 5.817 | 5.817 | 5.817 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 0.096722603 444 -0 0.015707963
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2000 0.18796778 444 -0 0.031415927
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3000 0.27916241 444 -0 0.04712389
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4000 0.37111688 444 -0 0.062831853
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5000 0.46224833 444 -0 0.078539816
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6000 0.55190682 444 -0 0.09424778
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7000 0.64120579 444 -0 0.10995574
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8000 0.73025131 444 -0 0.12566371
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9000 0.82121348 444 -0 0.14137167
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10000 0.91006637 444 -0 0.15707963
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11000 0.97034311 444 -0 0.1727876
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12000 1.030247 444 -0 0.18849556
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13000 1.0894752 444 -0 0.20420352
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14000 1.1483686 444 -0 0.21991149
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15000 1.2138393 444 -0 0.23561945
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16000 1.2744856 444 -0 0.25132741
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17000 1.3361425 444 -0 0.26703538
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18000 1.3998857 444 -0 0.28274334
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19000 1.4625463 444 -0 0.2984513
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20000 1.5255082 444 -0 0.31415927
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21000 1.5845048 444 -0 0.32986723
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22000 1.6437175 444 -0 0.34557519
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23000 1.7022173 444 -0 0.36128316
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24000 1.7614172 444 -0 0.37699112
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25000 1.8209105 444 -0 0.39269908
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26000 1.8818901 444 -0 0.40840704
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27000 1.9439991 444 -0 0.42411501
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28000 2.0067189 444 -0 0.43982297
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29000 2.0697014 444 -0 0.45553093
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30000 2.1327429 444 -0 0.4712389
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31000 2.1904151 444 -0 0.48694686
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32000 2.2478669 444 -0 0.50265482
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33000 2.3062997 444 -0 0.51836279
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34000 2.3723967 444 -0 0.53407075
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35000 2.4331915 444 -0 0.54977871
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36000 2.4937904 444 -0 0.56548668
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37000 2.5550685 444 -0 0.58119464
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38000 2.6170652 444 -0 0.5969026
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39000 2.6789875 444 -0 0.61261057
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40000 2.7414019 444 -0 0.62831853
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41000 2.799027 444 -0 0.64402649
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42000 2.8570235 444 -0 0.65973446
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43000 2.9140713 444 -0 0.67544242
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44000 2.9702985 444 -0 0.69115038
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45000 3.0274565 444 -0 0.70685835
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46000 3.0860338 444 -0 0.72256631
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47000 3.1450455 444 -0 0.73827427
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48000 3.2057948 444 -0 0.75398224
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49000 3.267339 444 -0 0.7696902
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50000 3.3300545 444 -0 0.78539816
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51000 3.3942592 444 -0 0.80110613
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52000 3.4522727 444 -0 0.81681409
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53000 3.5117693 444 -0 0.83252205
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54000 3.5717957 444 -0 0.84823002
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55000 3.6338761 444 -0 0.86393798
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56000 3.7006576 444 -0 0.87964594
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57000 3.7648654 444 -0 0.89535391
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58000 3.829128 444 -0 0.91106187
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59000 3.8930187 444 -0 0.92676983
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60000 3.9581499 444 -0 0.9424778
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61000 4.0213017 444 -0 0.95818576
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62000 4.0822632 444 -0 0.97389372
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63000 4.1443422 444 -0 0.98960169
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64000 4.2072315 444 -0 1.0053096
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65000 4.2711387 444 -0 1.0210176
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66000 4.3361402 444 -0 1.0367256
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67000 4.4031398 444 -0 1.0524335
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68000 4.4698064 444 -0 1.0681415
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69000 4.5374978 444 -0 1.0838495
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70000 4.6051283 444 -0 1.0995574
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71000 4.6694169 444 -0 1.1152654
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72000 4.7335079 444 -0 1.1309734
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73000 4.7967482 444 -0 1.1466813
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74000 4.8603547 444 -0 1.1623893
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75000 4.9250085 444 -0 1.1780972
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76000 4.9909372 444 -0 1.1938052
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77000 5.0578024 444 -0 1.2095132
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78000 5.1250138 444 -0 1.2252211
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79000 5.1929755 444 -0 1.2409291
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80000 5.2627637 444 -0 1.2566371
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81000 5.3280981 444 -0 1.272345
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82000 5.3957336 444 -0 1.288053
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83000 5.4648135 444 -0 1.303761
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84000 5.5368683 444 -0 1.3194689
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85000 5.6352935 888 -0 1.3351769
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86000 5.7708502 888 -0 1.3508848
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87000 5.9051492 888 -0 1.3665928
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88000 6.0384896 888 -0 1.3823008
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89000 6.1714747 888 -0 1.3980087
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90000 6.3042989 888 -0 1.4137167
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91000 6.4114611 888 -0 1.4294247
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92000 6.5164247 888 -0 1.4451326
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93000 6.6219602 888 -0 1.4608406
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94000 6.728405 888 -0 1.4765485
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95000 6.8411646 888 -0 1.4922565
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96000 6.9479821 888 -0 1.5079645
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97000 7.0569239 888 -0 1.5236724
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98000 7.1673372 888 -0 1.5393804
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99000 7.2778809 888 -0 1.5550884
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100000 7.398834 888 -0 1.5707963
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101000 7.5066864 888 -0 1.5865043
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102000 7.6158357 888 -0 1.6022123
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103000 7.725111 888 -0 1.6179202
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104000 7.8344197 888 -0 1.6336282
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105000 7.9532022 888 -0 1.6493361
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106000 8.0643187 888 -0 1.6650441
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107000 8.1765473 888 -0 1.6807521
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108000 8.2890661 888 -0 1.69646
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109000 8.4048562 888 -0 1.712168
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110000 8.5208168 888 -0 1.727876
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111000 8.6303153 888 -0 1.7435839
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112000 8.7401052 888 -0 1.7592919
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113000 8.8518219 888 -0 1.7749998
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114000 8.9638157 888 -0 1.7907078
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115000 9.0766122 888 -0 1.8064158
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116000 9.1908746 888 -0 1.8221237
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117000 9.306145 888 -0 1.8378317
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118000 9.4229569 888 -0 1.8535397
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119000 9.5407412 888 -0 1.8692476
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120000 9.6574531 888 -0 1.8849556
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121000 9.7683234 888 -0 1.9006636
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122000 9.8812008 888 -0 1.9163715
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123000 9.9952521 888 -0 1.9320795
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124000 10.111879 888 -0 1.9477874
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125000 10.228812 888 -0 1.9634954
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126000 10.347842 888 -0 1.9792034
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127000 10.47052 888 -0 1.9949113
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128000 10.593136 888 -0 2.0106193
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129000 10.718124 888 -0 2.0263273
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130000 10.844211 888 -0 2.0420352
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131000 10.959177 888 -0 2.0577432
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132000 11.075781 888 -0 2.0734512
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133000 11.191418 888 -0 2.0891591
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134000 11.313376 888 -0 2.1048671
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135000 11.432321 888 -0 2.120575
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136000 11.551893 888 -0 2.136283
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137000 11.672695 888 -0 2.151991
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138000 11.793487 888 -0 2.1676989
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139000 11.914089 888 -0 2.1834069
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140000 12.037441 888 -0 2.1991149
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141000 12.161974 888 -0 2.2148228
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142000 12.286641 888 -0 2.2305308
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143000 12.414012 888 -0 2.2462387
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144000 12.540939 888 -0 2.2619467
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145000 12.66985 888 -0 2.2776547
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146000 12.79975 888 -0 2.2933626
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147000 12.932702 888 -0 2.3090706
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148000 13.066088 888 -0 2.3247786
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149000 13.200814 888 -0 2.3404865
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150000 13.33565 888 -0 2.3561945
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151000 13.465995 888 -0 2.3719025
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152000 13.586622 888 -0 2.3876104
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153000 13.711423 888 -0 2.4033184
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154000 13.835058 888 -0 2.4190263
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155000 13.967661 888 -0 2.4347343
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156000 14.100609 888 -0 2.4504423
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157000 14.234485 888 -0 2.4661502
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158000 14.373325 888 -0 2.4818582
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159000 14.510608 888 -0 2.4975662
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160000 14.651416 888 -0 2.5132741
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161000 14.785767 888 -0 2.5289821
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162000 14.921569 888 -0 2.54469
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163000 15.058895 888 -0 2.560398
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164000 15.198786 888 -0 2.576106
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165000 15.341662 888 -0 2.5918139
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166000 15.487128 888 -0 2.6075219
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167000 15.649383 888 -0 2.6232299
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168000 15.795388 888 -0 2.6389378
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169000 15.942671 888 -0 2.6546458
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170000 16.091824 1000 -0 2.6703538
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171000 16.239863 1000 -0 2.6860617
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172000 16.391118 1000 -0 2.7017697
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173000 16.5417 1000 -0 2.7174776
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174000 16.69479 1000 -0 2.7331856
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175000 16.847412 1000 -0 2.7488936
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176000 17.000374 1000 -0 2.7646015
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177000 17.15471 1000 -0 2.7803095
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178000 17.31284 1000 -0 2.7960175
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179000 17.46991 1000 -0 2.8117254
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180000 17.629018 1000 -0 2.8274334
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181000 17.787736 1000 -0 2.8431414
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182000 17.946197 1000 -0 2.8588493
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183000 18.105271 1000 -0 2.8745573
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184000 18.263731 1000 -0 2.8902652
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185000 18.433277 1000 -0 2.9059732
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186000 18.594456 1000 -0 2.9216812
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187000 18.755532 1000 -0 2.9373891
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188000 18.918447 1000 -0 2.9530971
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189000 19.080359 1000 -0 2.9688051
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190000 19.243927 1000 -0 2.984513
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191000 19.395044 1000 -0 3.000221
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192000 19.546837 1000 -0 3.0159289
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193000 19.695827 1000 -0 3.0316369
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194000 19.843856 1000 -0 3.0473449
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195000 19.993821 1000 -0 3.0630528
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196000 20.145787 1000 -0 3.0787608
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197000 20.298114 1000 -0 3.0944688
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198000 20.45074 1000 -0 3.1101767
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199000 20.607595 1000 -0 3.1258847
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200000 20.760979 1000 -0 3.1415927
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Loop time of 20.7611 on 4 procs for 200000 steps with 1000 atoms
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Performance: 39328.699 tau/day, 9633.409 timesteps/s
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98.0% CPU use with 4 MPI tasks x 1 OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0.57172 | 0.93292 | 1.2995 | 37.1 | 4.49
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Neigh | 0.015648 | 0.018747 | 0.02175 | 2.1 | 0.09
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Comm | 3.17 | 3.6151 | 4.0856 | 23.0 | 17.41
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Output | 0.0051017 | 0.012686 | 0.033359 | 10.6 | 0.06
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Modify | 12.36 | 13.269 | 14.095 | 21.8 | 63.91
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Other | | 2.912 | | | 14.03
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Nlocal: 250 ave 270 max 230 min
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Histogram: 1 0 0 0 1 0 1 0 0 1
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Nghost: 297 ave 337 max 234 min
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Histogram: 1 0 0 0 0 1 0 0 0 2
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Neighs: 982.5 ave 1580 max 496 min
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Histogram: 2 0 0 0 0 0 0 1 0 1
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Total # of neighbors = 3930
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Ave neighs/atom = 3.93
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Neighbor list builds = 218
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Dangerous builds = 0
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unfix ins
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run 200000
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Per MPI rank memory allocation (min/avg/max) = 12 | 12.19 | 12.35 Mbytes
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Step CPU Atoms KinEng v_theta
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200000 0 1000 0.89289812 3.1415927
|
|
201000 0.15554476 1000 0.90162438 3.1573006
|
|
202000 0.31118774 1000 0.89175077 3.1730086
|
|
203000 0.47266722 1000 0.88068523 3.1887165
|
|
204000 0.64758801 1000 0.88775074 3.2044245
|
|
205000 0.85137105 1000 0.89009449 3.2201325
|
|
206000 1.0712745 1000 0.89031724 3.2358404
|
|
207000 1.3620427 1000 0.90901476 3.2515484
|
|
208000 1.6051998 1000 0.91977358 3.2672564
|
|
209000 1.7975032 1000 0.92044257 3.2829643
|
|
210000 1.9654117 1000 0.90550844 3.2986723
|
|
211000 2.1186137 1000 0.90179135 3.3143802
|
|
212000 2.2714169 1000 0.90474936 3.3300882
|
|
213000 2.4236252 1000 0.9011002 3.3457962
|
|
214000 2.5737655 1000 0.89619815 3.3615041
|
|
215000 2.7326233 1000 0.89129064 3.3772121
|
|
216000 2.8794787 1000 0.88785486 3.3929201
|
|
217000 3.0264313 1000 0.89448821 3.408628
|
|
218000 3.1743443 1000 0.89323746 3.424336
|
|
219000 3.3225086 1000 0.88176869 3.440044
|
|
220000 3.4717121 1000 0.86989815 3.4557519
|
|
221000 3.6229391 1000 0.85900389 3.4714599
|
|
222000 3.7768724 1000 0.85440461 3.4871678
|
|
223000 3.9287963 1000 0.8604449 3.5028758
|
|
224000 4.082505 1000 0.84537374 3.5185838
|
|
225000 4.234731 1000 0.84526488 3.5342917
|
|
226000 4.3872988 1000 0.85877362 3.5499997
|
|
227000 4.5396216 1000 0.86762074 3.5657077
|
|
228000 4.7092509 1000 0.86460359 3.5814156
|
|
229000 4.8631954 1000 0.85409682 3.5971236
|
|
230000 5.0194352 1000 0.83902718 3.6128316
|
|
231000 5.1765387 1000 0.83908755 3.6285395
|
|
232000 5.3335299 1000 0.83178808 3.6442475
|
|
233000 5.4917257 1000 0.83369584 3.6599554
|
|
234000 5.654233 1000 0.8530074 3.6756634
|
|
235000 5.8163757 1000 0.86385009 3.6913714
|
|
236000 5.9791231 1000 0.86453337 3.7070793
|
|
237000 6.1401029 1000 0.86137572 3.7227873
|
|
238000 6.300632 1000 0.8656285 3.7384953
|
|
239000 6.4597898 1000 0.85993724 3.7542032
|
|
240000 6.6216707 1000 0.8484153 3.7699112
|
|
241000 6.7793672 1000 0.84624799 3.7856191
|
|
242000 6.939244 1000 0.83739227 3.8013271
|
|
243000 7.1013088 1000 0.83026469 3.8170351
|
|
244000 7.267416 1000 0.81060567 3.832743
|
|
245000 7.4318523 1000 0.81081038 3.848451
|
|
246000 7.6077905 1000 0.80857771 3.864159
|
|
247000 7.7763391 1000 0.80353315 3.8798669
|
|
248000 7.9485247 1000 0.80191903 3.8955749
|
|
249000 8.1208956 1000 0.79865102 3.9112829
|
|
250000 8.2921841 1000 0.79407385 3.9269908
|
|
251000 8.4614651 1000 0.7880275 3.9426988
|
|
252000 8.6266186 1000 0.79212521 3.9584067
|
|
253000 8.7913449 1000 0.78976714 3.9741147
|
|
254000 8.9596558 1000 0.79720779 3.9898227
|
|
255000 9.1278918 1000 0.79329363 4.0055306
|
|
256000 9.3016815 1000 0.80851295 4.0212386
|
|
257000 9.4701304 1000 0.82322071 4.0369466
|
|
258000 9.6399531 1000 0.83042211 4.0526545
|
|
259000 9.8090186 1000 0.82773068 4.0683625
|
|
260000 9.9798045 1000 0.8246773 4.0840704
|
|
261000 10.148952 1000 0.81374287 4.0997784
|
|
262000 10.318855 1000 0.79936963 4.1154864
|
|
263000 10.496092 1000 0.78124408 4.1311943
|
|
264000 10.671031 1000 0.77790646 4.1469023
|
|
265000 10.843052 1000 0.77212005 4.1626103
|
|
266000 11.01867 1000 0.77977752 4.1783182
|
|
267000 11.192151 1000 0.79237542 4.1940262
|
|
268000 11.362491 1000 0.80631398 4.2097342
|
|
269000 11.53223 1000 0.82380407 4.2254421
|
|
270000 11.7123 1000 0.82477127 4.2411501
|
|
271000 11.883593 1000 0.81655074 4.256858
|
|
272000 12.052348 1000 0.80678676 4.272566
|
|
273000 12.220196 1000 0.79162789 4.288274
|
|
274000 12.395164 1000 0.78896081 4.3039819
|
|
275000 12.569757 1000 0.77904648 4.3196899
|
|
276000 12.748754 1000 0.78252999 4.3353979
|
|
277000 12.91648 1000 0.78293295 4.3511058
|
|
278000 13.086087 1000 0.78311337 4.3668138
|
|
279000 13.260159 1000 0.77657634 4.3825218
|
|
280000 13.428503 1000 0.76835711 4.3982297
|
|
281000 13.596094 1000 0.75586438 4.4139377
|
|
282000 13.763325 1000 0.74600306 4.4296456
|
|
283000 13.932867 1000 0.73228762 4.4453536
|
|
284000 14.098865 1000 0.72344939 4.4610616
|
|
285000 14.269317 1000 0.72160289 4.4767695
|
|
286000 14.441196 1000 0.71321619 4.4924775
|
|
287000 14.614458 1000 0.72631772 4.5081855
|
|
288000 14.783358 1000 0.74390396 4.5238934
|
|
289000 14.953564 1000 0.77320352 4.5396014
|
|
290000 15.12428 1000 0.77249469 4.5553093
|
|
291000 15.283974 1000 0.7583723 4.5710173
|
|
292000 15.449553 1000 0.74568347 4.5867253
|
|
293000 15.611965 1000 0.74108034 4.6024332
|
|
294000 15.770807 1000 0.72706174 4.6181412
|
|
295000 15.927151 1000 0.71122597 4.6338492
|
|
296000 16.086734 1000 0.70272297 4.6495571
|
|
297000 16.245418 1000 0.6945394 4.6652651
|
|
298000 16.406617 1000 0.69541258 4.6809731
|
|
299000 16.568989 1000 0.71696092 4.696681
|
|
300000 16.754911 1000 0.72939561 4.712389
|
|
301000 16.919453 1000 0.73621801 4.7280969
|
|
302000 17.07794 1000 0.72052605 4.7438049
|
|
303000 17.234397 1000 0.71057318 4.7595129
|
|
304000 17.39014 1000 0.70014814 4.7752208
|
|
305000 17.550789 1000 0.68855925 4.7909288
|
|
306000 17.718802 1000 0.68665019 4.8066368
|
|
307000 17.874036 1000 0.6831349 4.8223447
|
|
308000 18.029367 1000 0.67929468 4.8380527
|
|
309000 18.188065 1000 0.67833006 4.8537606
|
|
310000 18.348243 1000 0.67764037 4.8694686
|
|
311000 18.512475 1000 0.68271978 4.8851766
|
|
312000 18.676519 1000 0.69021026 4.9008845
|
|
313000 18.836426 1000 0.68795473 4.9165925
|
|
314000 18.997681 1000 0.68308892 4.9323005
|
|
315000 19.158794 1000 0.68086977 4.9480084
|
|
316000 19.318186 1000 0.67879169 4.9637164
|
|
317000 19.479364 1000 0.68128526 4.9794244
|
|
318000 19.645085 1000 0.68718719 4.9951323
|
|
319000 19.806831 1000 0.68419901 5.0108403
|
|
320000 19.97005 1000 0.68045269 5.0265482
|
|
321000 20.130643 1000 0.68430036 5.0422562
|
|
322000 20.291637 1000 0.68195368 5.0579642
|
|
323000 20.457605 1000 0.67964011 5.0736721
|
|
324000 20.621699 1000 0.67681293 5.0893801
|
|
325000 20.78525 1000 0.67601868 5.1050881
|
|
326000 20.950321 1000 0.67600265 5.120796
|
|
327000 21.11346 1000 0.68484094 5.136504
|
|
328000 21.276964 1000 0.68526189 5.152212
|
|
329000 21.440971 1000 0.67602072 5.1679199
|
|
330000 21.609791 1000 0.68222852 5.1836279
|
|
331000 21.773574 1000 0.68825647 5.1993358
|
|
332000 21.93854 1000 0.68168415 5.2150438
|
|
333000 22.102281 1000 0.67460357 5.2307518
|
|
334000 22.265741 1000 0.67747925 5.2464597
|
|
335000 22.436954 1000 0.681763 5.2621677
|
|
336000 22.614367 1000 0.67611867 5.2778757
|
|
337000 22.779064 1000 0.66903217 5.2935836
|
|
338000 22.945739 1000 0.6684293 5.3092916
|
|
339000 23.111375 1000 0.66465194 5.3249995
|
|
340000 23.278674 1000 0.66226848 5.3407075
|
|
341000 23.444642 1000 0.66407188 5.3564155
|
|
342000 23.614615 1000 0.65762812 5.3721234
|
|
343000 23.785007 1000 0.66936507 5.3878314
|
|
344000 23.956265 1000 0.67424224 5.4035394
|
|
345000 24.129057 1000 0.684271 5.4192473
|
|
346000 24.303073 1000 0.68294352 5.4349553
|
|
347000 24.475812 1000 0.69795697 5.4506633
|
|
348000 24.652771 1000 0.69818863 5.4663712
|
|
349000 24.830973 1000 0.69578798 5.4820792
|
|
350000 25.00923 1000 0.69377251 5.4977871
|
|
351000 25.185421 1000 0.69638202 5.5134951
|
|
352000 25.363647 1000 0.70115823 5.5292031
|
|
353000 25.540517 1000 0.70891635 5.544911
|
|
354000 25.718709 1000 0.70876639 5.560619
|
|
355000 25.893633 1000 0.71130235 5.576327
|
|
356000 26.068423 1000 0.69380913 5.5920349
|
|
357000 26.243801 1000 0.67934899 5.6077429
|
|
358000 26.418883 1000 0.67024516 5.6234508
|
|
359000 26.594722 1000 0.66145645 5.6391588
|
|
360000 26.770322 1000 0.65335546 5.6548668
|
|
361000 26.946396 1000 0.65495192 5.6705747
|
|
362000 27.12296 1000 0.64973833 5.6862827
|
|
363000 27.298461 1000 0.64532381 5.7019907
|
|
364000 27.473586 1000 0.64282855 5.7176986
|
|
365000 27.653872 1000 0.64451862 5.7334066
|
|
366000 27.830317 1000 0.64366439 5.7491146
|
|
367000 28.007037 1000 0.64395479 5.7648225
|
|
368000 28.184079 1000 0.65827587 5.7805305
|
|
369000 28.376009 1000 0.66311341 5.7962384
|
|
370000 28.557287 1000 0.66165026 5.8119464
|
|
371000 28.736569 1000 0.66878374 5.8276544
|
|
372000 28.91063 1000 0.66944548 5.8433623
|
|
373000 29.084648 1000 0.66061945 5.8590703
|
|
374000 29.258649 1000 0.65320954 5.8747783
|
|
375000 29.433156 1000 0.64641195 5.8904862
|
|
376000 29.611781 1000 0.64631388 5.9061942
|
|
377000 29.78531 1000 0.64232398 5.9219022
|
|
378000 29.955917 1000 0.63805257 5.9376101
|
|
379000 30.126378 1000 0.63666047 5.9533181
|
|
380000 30.297285 1000 0.63651856 5.969026
|
|
381000 30.471635 1000 0.6377374 5.984734
|
|
382000 30.644813 1000 0.64750107 6.000442
|
|
383000 30.816208 1000 0.65655138 6.0161499
|
|
384000 30.986444 1000 0.65408935 6.0318579
|
|
385000 31.156501 1000 0.64437236 6.0475659
|
|
386000 31.327665 1000 0.63862174 6.0632738
|
|
387000 31.49731 1000 0.64133807 6.0789818
|
|
388000 31.682031 1000 0.64174374 6.0946897
|
|
389000 31.85148 1000 0.64480071 6.1103977
|
|
390000 32.020336 1000 0.64982943 6.1261057
|
|
391000 32.187634 1000 0.6461109 6.1418136
|
|
392000 32.357282 1000 0.64044412 6.1575216
|
|
393000 32.527796 1000 0.64662995 6.1732296
|
|
394000 32.704323 1000 0.65330527 6.1889375
|
|
395000 32.880643 1000 0.66026265 6.2046455
|
|
396000 33.048614 1000 0.6718969 6.2203535
|
|
397000 33.222059 1000 0.66481385 6.2360614
|
|
398000 33.391738 1000 0.66685494 6.2517694
|
|
399000 33.560431 1000 0.6612594 6.2674773
|
|
400000 33.729715 1000 0.65289572 6.2831853
|
|
Loop time of 33.7298 on 4 procs for 200000 steps with 1000 atoms
|
|
|
|
Performance: 24207.249 tau/day, 5929.470 timesteps/s
|
|
97.9% CPU use with 4 MPI tasks x 1 OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 1.6748 | 2.6848 | 3.6646 | 58.4 | 7.96
|
|
Neigh | 0.021206 | 0.026438 | 0.03191 | 3.1 | 0.08
|
|
Comm | 6.133 | 7.3745 | 8.6652 | 45.0 | 21.86
|
|
Output | 0.0053763 | 0.016101 | 0.044719 | 13.0 | 0.05
|
|
Modify | 18.26 | 20.115 | 22.413 | 39.2 | 59.64
|
|
Other | | 3.513 | | | 10.42
|
|
|
|
Nlocal: 250 ave 266 max 230 min
|
|
Histogram: 1 0 0 0 0 1 1 0 0 1
|
|
Nghost: 401.5 ave 476 max 325 min
|
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
|
Neighs: 1264 ave 1634 max 895 min
|
|
Histogram: 1 0 1 0 0 0 0 1 0 1
|
|
|
|
Total # of neighbors = 5056
|
|
Ave neighs/atom = 5.056
|
|
Neighbor list builds = 160
|
|
Dangerous builds = 0
|
|
Total wall time: 0:00:54
|