forked from lijiext/lammps
minor cleanup in docs and updated log files for kolmogorov/crespi/full
This commit is contained in:
Axel Kohlmeyer
parent
78e09e1854
commit
5a341bee09
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\documentclass[aps,pr,onecolumn,superscriptaddress,noshowpacs,a4paper,15pt]{revtex4}
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\pdfoutput=1
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\bibliographystyle{apsrev4}
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\usepackage{color}
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\usepackage{dcolumn} %Align table columns on decimal point
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\usepackage{amssymb}
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\usepackage{amsmath}
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\usepackage{amsthm}
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\usepackage{graphicx}
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\usepackage[pdftex]{hyperref}
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\hypersetup{colorlinks=true,citecolor=blue,linkcolor=red,urlcolor=blue}
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\usepackage[all]{hypcap}
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\newcommand{\red}{\color{red}}
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\newcommand{\blue}{\color{blue}}
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\definecolor{green}{rgb}{0,0.5,0}
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\newcommand{\green}{\color{green}}
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\newcommand{\white}{\color{white}}
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%\newcommand{\cite}[1]{\hspace{-1 ex} % \nocite{#1}\citenum{#1}}
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\thickmuskip=0.5\thickmuskip %shorter spaces in math
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%
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\begin{document}
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%
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\begingroup
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\Large
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\begin{eqnarray*}
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E & = & \frac{1}{2} \sum_i \sum_{j \neq i} V_{ij} \\[15pt]
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V_{ij} & = & {\rm Tap}(r_{ij})\left \{ e^{-\alpha (r_{ij}/\beta -1)}
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\left [ \epsilon + f(\rho_{ij}) + f(\rho_{ji})\right ] -
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\frac{1}{1+e^{-d\left [ \left ( r_{ij}/\left (s_R \cdot r^{eff} \right ) \right )-1 \right ]}}
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\cdot \frac{C_6}{r^6_{ij}} \right \}\\[15pt]
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\rho_{ij}^2 & = & r_{ij}^2 - ({\bf r}_{ij} \cdot {\bf n}_i)^2 \\[15pt]
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\rho_{ji}^2 & = & r_{ij}^2 - ({\bf r}_{ij} \cdot {\bf n}_j)^2 \\[15pt]
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f(\rho) & = & C e^{ -( \rho / \delta )^2 }\\[15pt]
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{\rm Tap}(r_{ij}) & = & 20\left ( \frac{r_{ij}}{R_{cut}} \right )^7 -
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70\left ( \frac{r_{ij}}{R_{cut}} \right )^6 +
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84\left ( \frac{r_{ij}}{R_{cut}} \right )^5 -
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35\left ( \frac{r_{ij}}{R_{cut}} \right )^4 + 1
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\end{eqnarray*}
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\endgroup
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%
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\end{document}
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%
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../../../../potentials/CC.KC-full
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@ -0,0 +1,136 @@
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LAMMPS (8 Mar 2018)
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using 1 OpenMP thread(s) per MPI task
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# Initialization
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units metal
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boundary p p p
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atom_style full
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processors * * 1 # domain decomposition over x and y
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# System and atom definition
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# we use 2 atom types so that inter- and intra-layer
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# interactions can be specified separately
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# read lammps data file
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read_data Bi_gr_AB_stack_2L_noH_300K.data
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orthogonal box = (0 0 0) to (42.6 41.8117 100)
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1 by 1 by 1 MPI processor grid
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reading atoms ...
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1360 atoms
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reading velocities ...
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1360 velocities
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0 = max # of 1-2 neighbors
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0 = max # of 1-3 neighbors
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0 = max # of 1-4 neighbors
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1 = max # of special neighbors
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mass 1 12.0107 # carbon mass (g/mole) | membrane
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mass 2 12.0107 # carbon mass (g/mole) | adsorbate
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# Separate atom groups
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group membrane type 1
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680 atoms in group membrane
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group adsorbate type 2
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680 atoms in group adsorbate
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######################## Potential defition ########################
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pair_style hybrid/overlay rebo kolmogorov/crespi/full 16.0
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####################################################################
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pair_coeff * * rebo CH.airebo NULL C # chemical
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Reading potential file CH.airebo with DATE: 2011-10-25
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pair_coeff * * kolmogorov/crespi/full CC.KC-full C C # long range
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####################################################################
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# Neighbor update settings
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neighbor 2.0 bin
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neigh_modify every 1
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neigh_modify delay 0
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neigh_modify check yes
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# calculate the COM
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variable adsxcom equal xcm(adsorbate,x)
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variable adsycom equal xcm(adsorbate,y)
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variable adszcom equal xcm(adsorbate,z)
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variable adsvxcom equal vcm(adsorbate,x)
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variable adsvycom equal vcm(adsorbate,y)
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variable adsvzcom equal vcm(adsorbate,z)
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#### Simulation settings ####
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timestep 0.001
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fix subf membrane setforce 0.0 0.0 0.0
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fix thermostat all nve
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compute 0 all pair rebo
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compute 1 all pair kolmogorov/crespi/full
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variable REBO equal c_0
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variable KC equal c_1
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############################
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# Output
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thermo 100
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thermo_style custom step etotal pe ke v_REBO v_KC temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom
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thermo_modify line one format float %.10f
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thermo_modify flush yes norm no lost warn #ignore
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#dump 1 all custom 1000 traj.lammpstrj id mol type xu yu zu
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#dump_modify 1 format line "%7d %3d %3d %15.10g %15.10g %15.10g" flush yes
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###### Run molecular dynamics ######
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run 1000
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Neighbor list info ...
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update every 1 steps, delay 0 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 18
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ghost atom cutoff = 18
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binsize = 9, bins = 5 5 12
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2 neighbor lists, perpetual/occasional/extra = 2 0 0
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(1) pair rebo, perpetual, skip from (2)
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attributes: full, newton on, ghost
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pair build: skip/ghost
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stencil: none
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bin: none
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(2) pair kolmogorov/crespi/full, perpetual
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attributes: full, newton on, ghost
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pair build: full/bin/ghost
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stencil: full/ghost/bin/3d
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bin: standard
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Per MPI rank memory allocation (min/avg/max) = 16.96 | 16.96 | 16.96 Mbytes
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Step TotEng PotEng KinEng v_REBO v_KC Temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom
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0 -5025.3867722725 -5040.0767391239 14.6899668514 -5011.2636297759 -28.8131093480 83.6251135127 22.0155657205 20.2812150219 3.4623630945 0.0282287195 0.0535565745 0.2193320108
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100 -5025.3962433293 -5041.3829775585 15.9867342292 -5012.5109377234 -28.8720398351 91.0071804888 22.0181858078 20.2867731676 3.4456714402 0.0241525932 0.0573807336 -0.5235069014
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200 -5025.3942568861 -5041.9638220670 16.5695651809 -5012.7804299195 -29.1833921475 94.3250439654 22.0203529515 20.2926376511 3.3740502908 0.0186420748 0.0595018114 -0.7867265577
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300 -5025.3919463074 -5040.9705419367 15.5785956293 -5012.0510295102 -28.9195124265 88.6837826830 22.0218424095 20.2984380400 3.3199036613 0.0106250874 0.0544668352 -0.1513745908
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400 -5025.3965376948 -5041.6929964127 16.2964587179 -5012.6418090677 -29.0511873450 92.7703393702 22.0224243957 20.3034636122 3.3515794172 0.0006844935 0.0458598502 0.6967704496
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500 -5025.4050172900 -5042.1712310053 16.7662137153 -5013.1850218645 -28.9862091408 95.4444989087 22.0220673443 20.3074634962 3.4286173278 -0.0078273439 0.0340764532 0.6845095066
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600 -5025.3985715734 -5041.2158947893 15.8173232159 -5012.4875319345 -28.7283628548 90.0427797270 22.0209262700 20.3103065099 3.4653840648 -0.0141442608 0.0229602847 0.0009001093
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700 -5025.3997561572 -5041.6276721306 16.2279159734 -5012.7093581188 -28.9183140118 92.3801482386 22.0191651506 20.3120184840 3.4291788224 -0.0208485646 0.0104216414 -0.6668311564
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800 -5025.3967603736 -5042.3401685987 16.9434082251 -5013.3044877099 -29.0356808888 96.4532085367 22.0167259920 20.3122737443 3.3535033285 -0.0279747378 -0.0060833621 -0.7003492925
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900 -5025.3984542801 -5042.2820667481 16.8836124680 -5013.4066841442 -28.8753826039 96.1128111061 22.0136711877 20.3107854823 3.3206430872 -0.0331979094 -0.0237440547 0.1335648638
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1000 -5025.3988185618 -5041.9160822433 16.5172636815 -5012.8147737982 -29.1013084450 94.0273088606 22.0102627032 20.3075977018 3.3736867454 -0.0340065996 -0.0390649991 0.7872380119
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Loop time of 156.142 on 1 procs for 1000 steps with 1360 atoms
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Performance: 0.553 ns/day, 43.373 hours/ns, 6.404 timesteps/s
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99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 155.99 | 155.99 | 155.99 | 0.0 | 99.90
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Bond | 0.00075769 | 0.00075769 | 0.00075769 | 0.0 | 0.00
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Neigh | 0 | 0 | 0 | 0.0 | 0.00
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Comm | 0.084217 | 0.084217 | 0.084217 | 0.0 | 0.05
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Output | 0.0016122 | 0.0016122 | 0.0016122 | 0.0 | 0.00
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Modify | 0.034797 | 0.034797 | 0.034797 | 0.0 | 0.02
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Other | | 0.02838 | | | 0.02
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Nlocal: 1360 ave 1360 max 1360 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 7964 ave 7964 max 7964 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 0 ave 0 max 0 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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FullNghs: 265206 ave 265206 max 265206 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 265206
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Ave neighs/atom = 195.004
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Ave special neighs/atom = 0
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Neighbor list builds = 0
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Dangerous builds = 0
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Total wall time: 0:02:36
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@ -0,0 +1,136 @@
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LAMMPS (8 Mar 2018)
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using 1 OpenMP thread(s) per MPI task
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# Initialization
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units metal
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boundary p p p
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atom_style full
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processors * * 1 # domain decomposition over x and y
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# System and atom definition
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# we use 2 atom types so that inter- and intra-layer
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# interactions can be specified separately
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# read lammps data file
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read_data Bi_gr_AB_stack_2L_noH_300K.data
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orthogonal box = (0 0 0) to (42.6 41.8117 100)
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2 by 2 by 1 MPI processor grid
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reading atoms ...
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1360 atoms
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reading velocities ...
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1360 velocities
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0 = max # of 1-2 neighbors
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0 = max # of 1-3 neighbors
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0 = max # of 1-4 neighbors
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1 = max # of special neighbors
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mass 1 12.0107 # carbon mass (g/mole) | membrane
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mass 2 12.0107 # carbon mass (g/mole) | adsorbate
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# Separate atom groups
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group membrane type 1
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680 atoms in group membrane
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group adsorbate type 2
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680 atoms in group adsorbate
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######################## Potential defition ########################
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pair_style hybrid/overlay rebo kolmogorov/crespi/full 16.0
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####################################################################
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pair_coeff * * rebo CH.airebo NULL C # chemical
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Reading potential file CH.airebo with DATE: 2011-10-25
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pair_coeff * * kolmogorov/crespi/full CC.KC-full C C # long range
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####################################################################
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# Neighbor update settings
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neighbor 2.0 bin
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neigh_modify every 1
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neigh_modify delay 0
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neigh_modify check yes
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# calculate the COM
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variable adsxcom equal xcm(adsorbate,x)
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variable adsycom equal xcm(adsorbate,y)
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variable adszcom equal xcm(adsorbate,z)
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variable adsvxcom equal vcm(adsorbate,x)
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variable adsvycom equal vcm(adsorbate,y)
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variable adsvzcom equal vcm(adsorbate,z)
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#### Simulation settings ####
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timestep 0.001
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fix subf membrane setforce 0.0 0.0 0.0
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fix thermostat all nve
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compute 0 all pair rebo
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compute 1 all pair kolmogorov/crespi/full
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variable REBO equal c_0
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variable KC equal c_1
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############################
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# Output
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thermo 100
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thermo_style custom step etotal pe ke v_REBO v_KC temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom
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thermo_modify line one format float %.10f
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thermo_modify flush yes norm no lost warn #ignore
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#dump 1 all custom 1000 traj.lammpstrj id mol type xu yu zu
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#dump_modify 1 format line "%7d %3d %3d %15.10g %15.10g %15.10g" flush yes
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###### Run molecular dynamics ######
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run 1000
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Neighbor list info ...
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update every 1 steps, delay 0 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 18
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ghost atom cutoff = 18
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binsize = 9, bins = 5 5 12
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2 neighbor lists, perpetual/occasional/extra = 2 0 0
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(1) pair rebo, perpetual, skip from (2)
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attributes: full, newton on, ghost
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pair build: skip/ghost
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stencil: none
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bin: none
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(2) pair kolmogorov/crespi/full, perpetual
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attributes: full, newton on, ghost
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pair build: full/bin/ghost
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stencil: full/ghost/bin/3d
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bin: standard
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Per MPI rank memory allocation (min/avg/max) = 11.13 | 11.13 | 11.13 Mbytes
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Step TotEng PotEng KinEng v_REBO v_KC Temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom
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0 -5025.3867722725 -5040.0767391239 14.6899668514 -5011.2636297759 -28.8131093480 83.6251135127 22.0155657205 20.2812150219 3.4623630945 0.0282287195 0.0535565745 0.2193320108
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100 -5025.3962433293 -5041.3829775585 15.9867342292 -5012.5109377234 -28.8720398351 91.0071804888 22.0181858078 20.2867731676 3.4456714402 0.0241525932 0.0573807336 -0.5235069014
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200 -5025.3942568861 -5041.9638220670 16.5695651809 -5012.7804299195 -29.1833921475 94.3250439654 22.0203529515 20.2926376511 3.3740502908 0.0186420748 0.0595018114 -0.7867265577
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300 -5025.3919463074 -5040.9705419367 15.5785956293 -5012.0510295103 -28.9195124265 88.6837826830 22.0218424095 20.2984380400 3.3199036613 0.0106250874 0.0544668352 -0.1513745908
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400 -5025.3965376948 -5041.6929964127 16.2964587179 -5012.6418090677 -29.0511873450 92.7703393702 22.0224243957 20.3034636122 3.3515794172 0.0006844935 0.0458598502 0.6967704496
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500 -5025.4050172900 -5042.1712310053 16.7662137153 -5013.1850218645 -28.9862091408 95.4444989088 22.0220673443 20.3074634962 3.4286173278 -0.0078273439 0.0340764532 0.6845095066
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600 -5025.3985715734 -5041.2158947893 15.8173232159 -5012.4875319345 -28.7283628548 90.0427797270 22.0209262700 20.3103065099 3.4653840648 -0.0141442608 0.0229602847 0.0009001093
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700 -5025.3997561572 -5041.6276721306 16.2279159734 -5012.7093581188 -28.9183140118 92.3801482386 22.0191651506 20.3120184840 3.4291788224 -0.0208485646 0.0104216414 -0.6668311564
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||||||
|
800 -5025.3967603736 -5042.3401685987 16.9434082251 -5013.3044877099 -29.0356808888 96.4532085367 22.0167259920 20.3122737443 3.3535033285 -0.0279747378 -0.0060833621 -0.7003492925
|
||||||
|
900 -5025.3984542801 -5042.2820667481 16.8836124680 -5013.4066841442 -28.8753826039 96.1128111061 22.0136711877 20.3107854823 3.3206430872 -0.0331979094 -0.0237440547 0.1335648638
|
||||||
|
1000 -5025.3988185618 -5041.9160822433 16.5172636815 -5012.8147737983 -29.1013084450 94.0273088606 22.0102627032 20.3075977018 3.3736867454 -0.0340065996 -0.0390649991 0.7872380119
|
||||||
|
Loop time of 42.5422 on 4 procs for 1000 steps with 1360 atoms
|
||||||
|
|
||||||
|
Performance: 2.031 ns/day, 11.817 hours/ns, 23.506 timesteps/s
|
||||||
|
98.9% CPU use with 4 MPI tasks x 1 OpenMP threads
|
||||||
|
|
||||||
|
MPI task timing breakdown:
|
||||||
|
Section | min time | avg time | max time |%varavg| %total
|
||||||
|
---------------------------------------------------------------
|
||||||
|
Pair | 39.928 | 40.992 | 42.377 | 15.8 | 96.36
|
||||||
|
Bond | 0.0003643 | 0.00043392 | 0.00048113 | 0.0 | 0.00
|
||||||
|
Neigh | 0 | 0 | 0 | 0.0 | 0.00
|
||||||
|
Comm | 0.12253 | 1.5076 | 2.5698 | 82.1 | 3.54
|
||||||
|
Output | 0.0012577 | 0.0013637 | 0.0016453 | 0.4 | 0.00
|
||||||
|
Modify | 0.010833 | 0.012247 | 0.013317 | 0.9 | 0.03
|
||||||
|
Other | | 0.02864 | | | 0.07
|
||||||
|
|
||||||
|
Nlocal: 340 ave 344 max 334 min
|
||||||
|
Histogram: 1 0 0 0 0 0 1 0 1 1
|
||||||
|
Nghost: 4628 ave 4634 max 4624 min
|
||||||
|
Histogram: 1 0 1 0 1 0 0 0 0 1
|
||||||
|
Neighs: 0 ave 0 max 0 min
|
||||||
|
Histogram: 4 0 0 0 0 0 0 0 0 0
|
||||||
|
FullNghs: 66301.5 ave 67860 max 63963 min
|
||||||
|
Histogram: 1 0 0 0 0 0 1 0 1 1
|
||||||
|
|
||||||
|
Total # of neighbors = 265206
|
||||||
|
Ave neighs/atom = 195.004
|
||||||
|
Ave special neighs/atom = 0
|
||||||
|
Neighbor list builds = 0
|
||||||
|
Dangerous builds = 0
|
||||||
|
Total wall time: 0:00:42
|
||||||
|
|
@ -1,227 +0,0 @@
|
||||||
LAMMPS (5 Feb 2018)
|
|
||||||
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
|
|
||||||
using 1 OpenMP thread(s) per MPI task
|
|
||||||
# Initialization
|
|
||||||
units metal
|
|
||||||
boundary p p p
|
|
||||||
atom_style full
|
|
||||||
processors * * 1 # domain decomposition over x and y
|
|
||||||
|
|
||||||
# System and atom definition
|
|
||||||
# we use 2 atom types so that inter- and intra-layer
|
|
||||||
# interactions can be specified separately
|
|
||||||
# read lammps data file
|
|
||||||
read_data Bi_gr_AB_stack_2L_noH_300K.data
|
|
||||||
orthogonal box = (0 0 0) to (42.6 41.8117 100)
|
|
||||||
2 by 2 by 1 MPI processor grid
|
|
||||||
reading atoms ...
|
|
||||||
1360 atoms
|
|
||||||
reading velocities ...
|
|
||||||
1360 velocities
|
|
||||||
0 = max # of 1-2 neighbors
|
|
||||||
0 = max # of 1-3 neighbors
|
|
||||||
0 = max # of 1-4 neighbors
|
|
||||||
1 = max # of special neighbors
|
|
||||||
mass 1 12.0107 # carbon mass (g/mole) | membrane
|
|
||||||
mass 2 12.0107 # carbon mass (g/mole) | adsorbate
|
|
||||||
# Separate atom groups
|
|
||||||
group membrane type 1
|
|
||||||
680 atoms in group membrane
|
|
||||||
group adsorbate type 2
|
|
||||||
680 atoms in group adsorbate
|
|
||||||
|
|
||||||
######################## Potential defition ########################
|
|
||||||
pair_style hybrid/overlay rebo kolmogorov/crespi/full 16.0
|
|
||||||
####################################################################
|
|
||||||
pair_coeff * * rebo CH.airebo NULL C # chemical
|
|
||||||
Reading potential file CH.airebo with DATE: 2011-10-25
|
|
||||||
pair_coeff * * kolmogorov/crespi/full CC.KC-full C C # long range
|
|
||||||
####################################################################
|
|
||||||
# Neighbor update settings
|
|
||||||
neighbor 2.0 bin
|
|
||||||
neigh_modify every 1
|
|
||||||
neigh_modify delay 0
|
|
||||||
neigh_modify check yes
|
|
||||||
|
|
||||||
# calculate the COM
|
|
||||||
variable adsxcom equal xcm(adsorbate,x)
|
|
||||||
variable adsycom equal xcm(adsorbate,y)
|
|
||||||
variable adszcom equal xcm(adsorbate,z)
|
|
||||||
variable adsvxcom equal vcm(adsorbate,x)
|
|
||||||
variable adsvycom equal vcm(adsorbate,y)
|
|
||||||
variable adsvzcom equal vcm(adsorbate,z)
|
|
||||||
|
|
||||||
#### Simulation settings ####
|
|
||||||
timestep 0.001
|
|
||||||
fix subf membrane setforce 0.0 0.0 0.0
|
|
||||||
fix thermostat all nve
|
|
||||||
|
|
||||||
compute 0 all pair rebo
|
|
||||||
compute 1 all pair kolmogorov/crespi/full
|
|
||||||
variable REBO equal c_0
|
|
||||||
variable KC equal c_1
|
|
||||||
|
|
||||||
############################
|
|
||||||
|
|
||||||
# Output
|
|
||||||
thermo 100
|
|
||||||
thermo_style custom step cpu etotal pe ke v_REBO v_KC temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom
|
|
||||||
thermo_modify line one format float %.16f
|
|
||||||
thermo_modify flush yes norm no lost warn #ignore
|
|
||||||
|
|
||||||
dump 1 all custom 1000 traj.lammpstrj id mol type xu yu zu
|
|
||||||
dump_modify 1 format line "%7d %3d %3d %15.10g %15.10g %15.10g" flush yes
|
|
||||||
|
|
||||||
###### Run molecular dynamics ######
|
|
||||||
run 10000
|
|
||||||
Neighbor list info ...
|
|
||||||
update every 1 steps, delay 0 steps, check yes
|
|
||||||
max neighbors/atom: 2000, page size: 100000
|
|
||||||
master list distance cutoff = 18
|
|
||||||
ghost atom cutoff = 18
|
|
||||||
binsize = 9, bins = 5 5 12
|
|
||||||
2 neighbor lists, perpetual/occasional/extra = 2 0 0
|
|
||||||
(1) pair rebo, perpetual, skip from (2)
|
|
||||||
attributes: full, newton on, ghost
|
|
||||||
pair build: skip/ghost
|
|
||||||
stencil: none
|
|
||||||
bin: none
|
|
||||||
(2) pair kolmogorov/crespi/full, perpetual
|
|
||||||
attributes: full, newton on, ghost
|
|
||||||
pair build: full/bin/ghost
|
|
||||||
stencil: full/ghost/bin/3d
|
|
||||||
bin: standard
|
|
||||||
Per MPI rank memory allocation (min/avg/max) = 12.39 | 12.39 | 12.39 Mbytes
|
|
||||||
Step CPU TotEng PotEng KinEng v_REBO v_KC Temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom
|
|
||||||
0 0.0000000000000000 -5025.3867722724935447 -5040.0767391238714481 14.6899668513774859 -5011.2636297758563160 -28.8131093480147769 83.6251135126841376 22.0155657205247799 20.2812150219063234 3.4623630944674200 0.0282287194990573 0.0535565744690331 0.2193320108238477
|
|
||||||
100 1.2090328890481032 -5025.3962433292772403 -5041.3829775585218158 15.9867342292441723 -5012.5109377233984560 -28.8720398351239709 91.0071804887902687 22.0181858077562040 20.2867731676403515 3.4456714401609116 0.0241525932155392 0.0573807336146946 -0.5235069014277836
|
|
||||||
200 2.4036352250259370 -5025.3942568861339169 -5041.9638220670003648 16.5695651808668281 -5012.7804299194813211 -29.1833921475196121 94.3250439653562438 22.0203529514796585 20.2926376510830444 3.3740502908038388 0.0186420747870426 0.0595018114242881 -0.7867265577251443
|
|
||||||
300 3.5707715520402417 -5025.3919463074435043 -5040.9705419367464856 15.5785956293027752 -5012.0510295102558302 -28.9195124264904493 88.6837826830418550 22.0218424094691478 20.2984380399648714 3.3199036612722175 0.0106250874216957 0.0544668351685384 -0.1513745907556251
|
|
||||||
400 4.7711801230325364 -5025.3965376948390258 -5041.6929964127411949 16.2964587179024178 -5012.6418090677252621 -29.0511873450172544 92.7703393702056616 22.0224243956700647 20.3034636121897307 3.3515794171886442 0.0006844934965578 0.0458598502111477 0.6967704496022608
|
|
||||||
500 5.9397808950161561 -5025.4050172900369944 -5042.1712310052898829 16.7662137152530981 -5013.1850218644503911 -28.9862091408392573 95.4444989087561169 22.0220673443415116 20.3074634961872427 3.4286173277703296 -0.0078273438530378 0.0340764531684523 0.6845095066136071
|
|
||||||
600 7.1201584940426983 -5025.3985715733606412 -5041.2158947892512515 15.8173232158908945 -5012.4875319344801028 -28.7283628547711061 90.0427797270119470 22.0209262700263473 20.3103065099326834 3.4653840647843963 -0.0141442607886095 0.0229602847458309 0.0009001092688723
|
|
||||||
700 8.2871374670066871 -5025.3997561571868573 -5041.6276721305875981 16.2279159734002967 -5012.7093581188073586 -28.9183140117799340 92.3801482385678554 22.0191651506397577 20.3120184839872451 3.4291788223636952 -0.0208485646050276 0.0104216414448085 -0.6668311563864557
|
|
||||||
800 9.4509126310003921 -5025.3967603736264209 -5042.3401685986937082 16.9434082250674400 -5013.3044877099318910 -29.0356808887622364 96.4532085366923582 22.0167259920093024 20.3122737442838215 3.3535033285498610 -0.0279747378394777 -0.0060833621062162 -0.7003492925383377
|
|
||||||
900 10.6212659500306472 -5025.3984542800671989 -5042.2820667480700649 16.8836124680024433 -5013.4066841441726865 -28.8753826038976342 96.1128111060699695 22.0136711877076685 20.3107854822651177 3.3206430872229769 -0.0331979093628198 -0.0237440546972741 0.1335648638118817
|
|
||||||
1000 11.7926044440246187 -5025.3988185617581621 -5041.9160822432759232 16.5172636815174414 -5012.8147737982535546 -29.1013084450222337 94.0273088605581080 22.0102627031673421 20.3075977017766007 3.3736867454007284 -0.0340065996333862 -0.0390649990984092 0.7872380118801856
|
|
||||||
1100 13.0851637730374932 -5025.3989801127108876 -5041.7965283026751422 16.3975481899639917 -5012.8897602518782151 -28.9067680507963090 93.3458082369236024 22.0069241283902350 20.3031837024214354 3.4457666497828261 -0.0326106583004187 -0.0483645330358782 0.5228983819640343
|
|
||||||
1200 14.2550687200273387 -5025.3992874004115947 -5041.7405216174720408 16.3412342170605562 -5012.8949220795147994 -28.8455995379571313 93.0252314497841297 22.0037928169574570 20.2980678584679524 3.4626948696122506 -0.0293478313470026 -0.0532412883321035 -0.2153480166167848
|
|
||||||
1300 15.4206955539993942 -5025.4035659930168549 -5042.0283937223284738 16.6248277293119138 -5012.9218999373606493 -29.1064937849681300 94.6396353414618403 22.0010832216368293 20.2926192132286474 3.4089856465370070 -0.0244719444214278 -0.0557588495572362 -0.7710768515422161
|
|
||||||
1400 16.5889568240381777 -5025.3837503472668686 -5041.1619872695664526 15.7782369222997669 -5012.1909520967401477 -28.9710351728264470 89.8202744095107306 21.9990363808598559 20.2870007320342864 3.3360138095172736 -0.0163606191510480 -0.0559299166221425 -0.5188880833578199
|
|
||||||
1500 17.7671085790498182 -5025.3966017230777652 -5041.6813785354088395 16.2847768123309180 -5012.8020874008770988 -28.8792911345319823 92.7038381527866733 21.9979871457204972 20.2816848686464866 3.3282924364660564 -0.0045298722152426 -0.0496966023999349 0.3926011238047987
|
|
||||||
1600 18.9589943360188045 -5025.3937345699878279 -5041.6141058440125562 16.2203712740251653 -5012.5931977854761499 -29.0209080585362997 92.3371987650906334 21.9979960708595854 20.2771303069271234 3.3957510840195448 0.0049490795871075 -0.0412397066201281 0.7981352140616215
|
|
||||||
1700 20.1920844370033592 -5025.3920349717982390 -5041.3474422788585798 15.9554073070600726 -5012.5499564532892691 -28.7974858255688844 90.8288467015085956 21.9988824248280963 20.2734683062635952 3.4575828640693675 0.0127762700599154 -0.0313494515473505 0.3326934046758493
|
|
||||||
1800 21.3635783740319312 -5025.3865162596666778 -5041.4209078040967142 16.0343915444297949 -5012.6149552063980082 -28.8059525976986919 91.2784777920740851 22.0004637748842455 20.2708693578177872 3.4521283623881351 0.0187721532950161 -0.0208398096893947 -0.4319057546214770
|
|
||||||
1900 22.5351911650504917 -5025.4030154876936649 -5041.9703720842626353 16.5673565965688070 -5012.8736344691242266 -29.0967376151382418 94.3124712267998717 22.0026572989276374 20.2694060650691874 3.3853702468064513 0.0252934937455946 -0.0077824913573627 -0.7917373730797634
|
|
||||||
2000 23.7021600700099953 -5025.4025246012934076 -5041.9864750467668273 16.5839504454735511 -5013.0748380269278641 -28.9116370198385084 94.4069345099584183 22.0054314642639071 20.2693585608976896 3.3237746010657330 0.0301055920092041 0.0074208853595260 -0.2863224338408705
|
|
||||||
2100 24.8830241240211762 -5025.3870581274150027 -5040.9121729675962342 15.5251148401812902 -5011.8761736947853933 -29.0359992728101197 88.3793342723490412 22.0085483371208817 20.2709445247397930 3.3427033439317140 0.0311372848806408 0.0239761890014525 0.6114295821968323
|
|
||||||
2200 26.0501821730285883 -5025.3918833881934916 -5041.6799723765943781 16.2880889884009576 -5012.5688853419105726 -29.1110870346840080 92.7226932736071063 22.0116684513606060 20.2740990090120867 3.4181627583397507 0.0308945173353687 0.0379066772496769 0.7271861390898796
|
|
||||||
2300 27.2176894500153139 -5025.3949346032641188 -5041.7254573272766720 16.3305227240123081 -5012.8849770830092893 -28.8404802442676917 92.9642544692971882 22.0146384176519128 20.2783501662495809 3.4635799761850632 0.0286285885663440 0.0469492067266735 0.1073585873889057
|
|
||||||
2400 28.3860884510213509 -5025.3963000158337309 -5041.6826909876272111 16.2863909717937148 -5012.7104483483453805 -28.9722426392815322 92.7130270277289696 22.0173575918610567 20.2833719117073876 3.4365406534706939 0.0248751997236569 0.0535646666600052 -0.6066967516565630
|
|
||||||
2500 29.5582998979953118 -5025.3891173410784177 -5041.5906279381069908 16.2015105970288857 -5012.5517909903483087 -29.0388369477585861 92.2298311807592910 22.0196031753242529 20.2888529413860539 3.3617525635386030 0.0196652006111998 0.0549267012871614 -0.7369084634354620
|
|
||||||
2600 30.7501633380306885 -5025.4052931473715944 -5041.7099788940795406 16.3046857467076656 -5012.9253328497143229 -28.7846460443654308 92.8171731190269753 22.0211867983163572 20.2943920370994455 3.3195676660631070 0.0117061903077485 0.0544890610455483 0.0041300364361864
|
|
||||||
2700 31.9312072400352918 -5025.4054780236301667 -5041.8854982632174142 16.4800202395873789 -5012.8990747848783940 -28.9864234783388426 93.8152942869028550 22.0219652421667966 20.2994898926302128 3.3637955536480932 0.0042193082641918 0.0477783851053640 0.7622879364636829
|
|
||||||
2800 33.0991695010452531 -5025.3912584140180115 -5041.7117266611994637 16.3204682471812355 -5012.7809950679111353 -28.9307315932885345 92.9070176644210619 22.0220139187549897 20.3038960471470880 3.4391227846691574 -0.0034173757467748 0.0402487406699638 0.5907117446321344
|
|
||||||
2900 34.2735084790037945 -5025.3938120791799520 -5041.5807500998762407 16.1869380206962177 -5012.8426992339791468 -28.7380508658970015 92.1468743325702633 22.0213079578234847 20.3074511077868003 3.4637467480717130 -0.0104174548640656 0.0300542700286960 -0.1297243821532769
|
|
||||||
3000 35.5088631500257179 -5025.4088836623213865 -5042.5790840858535375 17.1702004235320587 -5013.5654819329674865 -29.0136021528856887 97.7442613710707207 22.0199440197456582 20.3098582709772657 3.4167983757244911 -0.0169840323929214 0.0170240377769569 -0.7374145319073314
|
|
||||||
3100 36.7295854010153562 -5025.4086406925371193 -5042.2697560277538287 16.8611153352168692 -5013.2134239426923159 -29.0563320850622908 95.9847423839321010 22.0178853132279109 20.3108565386005218 3.3420019405042907 -0.0242673913632101 0.0021711631697942 -0.6022358266725114
|
|
||||||
3200 37.9420561690349132 -5025.3926910219461206 -5041.8149473963876517 16.4222563744419219 -5012.8374685859962483 -28.9774788103915029 93.4864637436761967 22.0151252427317345 20.3101374038003684 3.3241188409229054 -0.0303691045142071 -0.0154526688841053 0.2951232739354271
|
|
||||||
3300 39.1072654760209844 -5025.4019168838058249 -5041.8245525223237564 16.4226356385176793 -5012.7438638561252446 -29.0806886661991690 93.4886227683838342 22.0118678336381457 20.3077932400083974 3.3868622776182424 -0.0338044438894221 -0.0313263193531266 0.8095221886528264
|
|
||||||
3400 40.2726593170082197 -5025.3991199704587416 -5041.5436503483433626 16.1445303778847453 -5012.6447438628329110 -28.8989064855106470 91.9054616745435879 22.0084209536016466 20.3040661062772116 3.4539274247624481 -0.0348969431077094 -0.0420734210995361 0.4101686776950041
|
|
||||||
3500 41.4296097320038825 -5025.3940844427597767 -5041.3374211652380836 15.9433367224780884 -5012.5810922125028810 -28.7563289527353803 90.7601328632783719 22.0050492911385724 20.2995122872307334 3.4573439358500311 -0.0322607562513154 -0.0487762186067769 -0.3358722426493447
|
|
||||||
3600 42.6008598420303315 -5025.4043544972746531 -5042.0723763739933929 16.6680218767186084 -5013.0391944920975220 -29.0331818818965530 94.8855253095273525 22.0020786089923739 20.2943998710379638 3.3961228997702317 -0.0269433628563045 -0.0533133666136933 -0.7879587681174278
|
|
||||||
3700 43.8028116130153649 -5025.4021846582545550 -5041.8106354045849002 16.4084507463306011 -5012.9859875236998050 -28.8246478808859727 93.4078728775698579 21.9996551299436334 20.2889571349277595 3.3287838075858094 -0.0198828701363438 -0.0541461234927997 -0.3953793498641726
|
|
||||||
3800 44.9688759930431843 -5025.4009027180181874 -5041.4796132183219015 16.0787105003034405 -5012.5747426977468422 -28.9048705205747503 91.5307709220173820 21.9980988156843189 20.2836609669102153 3.3361624936284979 -0.0114502161673620 -0.0510195644013287 0.5193551642883544
|
|
||||||
3900 46.1358508010162041 -5025.4044270906215388 -5042.0985642713785637 16.6941371807572700 -5013.0541027932831639 -29.0444614780964656 95.0341910816660089 21.9973956364988794 20.2788219343977296 3.4086752988334950 -0.0026647342074451 -0.0448873050508345 0.7645000369511740
|
|
||||||
4000 47.3026360210496932 -5025.3954718507548023 -5041.3262379385632812 15.9307660878089106 -5012.5576639138616883 -28.7685740247013015 90.6885724056019171 21.9975429003444383 20.2747072410190867 3.4617517103044699 0.0048995201173917 -0.0374323746582634 0.2116010371043403
|
|
||||||
4100 48.4589538380387239 -5025.4047534487826852 -5041.8008682831587066 16.3961148343756129 -5012.8773139083332353 -28.9235543748263382 93.3376486185259040 21.9983947399693136 20.2714890086889667 3.4455669507407385 0.0116215188606004 -0.0267084491147554 -0.5160314869363558
|
|
||||||
4200 49.6870953830075450 -5025.4040425363737086 -5041.8879901694490400 16.4839476330749370 -5012.7598335304282955 -29.1281566390214763 93.8376516366184035 21.9998528364627610 20.2693730209178362 3.3741713364804116 0.0178705348058012 -0.0145748652370947 -0.7806350357809819
|
|
||||||
4300 50.8562145699979737 -5025.4044242163436138 -5041.6563978781996411 16.2519736618556401 -5012.7627558388539910 -28.8936420393467870 92.5171006870168497 22.0018951506242608 20.2686014427215824 3.3212120228517752 0.0234319429320006 0.0004943293969114 -0.1426370973565776
|
|
||||||
4400 52.0283764940104447 -5025.3927134732630293 -5041.2695045736281827 15.8767911003648230 -5012.2183847211681496 -29.0511198524600545 90.3813106876196031 22.0044857492060721 20.2695565815015009 3.3528429881520223 0.0279186879430288 0.0172965694804035 0.6854511544787831
|
|
||||||
4500 53.1905290260328911 -5025.3985627613592442 -5041.8741225357753137 16.4755597744162223 -5012.8837212407361221 -28.9904012950389784 93.7899023367350253 22.0073726592588379 20.2720211826135674 3.4281218168340750 0.0293916215690875 0.0308967742220515 0.6658600870219290
|
|
||||||
4600 54.3571357890032232 -5025.4030459055366009 -5041.6564824541692360 16.2534365486328944 -5012.9056573639236376 -28.7508250902455202 92.5254284166871628 22.0103511916306367 20.2756370304082481 3.4637820951474532 0.0294307649769785 0.0417680653709620 -0.0058132312600395
|
|
||||||
4700 55.5370646170340478 -5025.4001910298129587 -5041.7414930717031893 16.3413020418903656 -5012.7996878950380051 -28.9418051766647757 93.0256175540653061 22.0131565411710390 20.2800753547754908 3.4273163365998669 0.0270124802631130 0.0473687758079074 -0.6670593953609443
|
|
||||||
4800 56.7563687619986013 -5025.3970095918302832 -5041.7422910469977069 16.3452814551670258 -5012.7216399349827043 -29.0206511120158481 93.0482710352025606 22.0156808325349225 20.2851061286242143 3.3523725032197911 0.0234068222788119 0.0525631509064944 -0.6782133515097872
|
|
||||||
4900 57.9812595020048320 -5025.4045337102616031 -5041.9408737919047780 16.5363400816427699 -5013.0636880874308190 -28.8771857044747691 94.1359044851795801 22.0177398691825310 20.2905584995200492 3.3213846154694506 0.0174077061305399 0.0550412996935653 0.1444813620920061
|
|
||||||
5000 59.3218032810254954 -5025.3962333034423864 -5041.5309003858565120 16.1346670824138947 -5012.4020743451865201 -29.1288260406696793 91.8493132017999869 22.0190805858925351 20.2959422932664175 3.3744572644527548 0.0092139201306282 0.0519348392700130 0.7753071899805003
|
|
||||||
5100 60.5568367950036190 -5025.3986897876229705 -5041.7565575138560234 16.3578677262329677 -5012.8062332908430108 -28.9503242230128492 93.1199205057043997 22.0196598900432008 20.3008510568789688 3.4451873132307109 0.0022328021009227 0.0455289361760877 0.5086920041557489
|
|
||||||
5200 61.7441689710249193 -5025.4086477484779607 -5042.1891559391060582 16.7805081906281437 -5013.3313045021295693 -28.8578514369759453 95.5258726203469166 22.0195729062207910 20.3049844118216853 3.4599894169738934 -0.0043702498962095 0.0368958159104244 -0.2306537658669780
|
|
||||||
5300 62.9076888910494745 -5025.4047630119666792 -5042.2497651384219353 16.8450021264550287 -5013.1662090122745212 -29.0835561261479043 95.8930152258387380 22.0188694550064135 20.3081712448169753 3.4059695294096115 -0.0097372015534203 0.0264821769201272 -0.7581161217469209
|
|
||||||
5400 64.0683258480275981 -5025.3933251833759641 -5041.3747031343818890 15.9813779510059568 -5012.3052544367146766 -29.0694486976670419 90.9766889716746761 22.0175055937439126 20.3100926022901866 3.3355679509867397 -0.0177201631774805 0.0117950823628956 -0.4946380030647148
|
|
||||||
5500 65.2179911470157094 -5025.3935708413573593 -5041.8358929495343546 16.4423221081772937 -5012.8774868877389963 -28.9584060617955998 93.6006913167069996 22.0154086611623541 20.3103936048593425 3.3298144426076877 -0.0243002986248679 -0.0066858929837734 0.4051029626040160
|
|
||||||
5600 66.3825001540244557 -5025.4033630998110311 -5041.9944576209154548 16.5910945211040293 -5012.9336477538354302 -29.0608098670803940 94.4476033652108811 22.0127064018791891 20.3088828802371886 3.3973974994341418 -0.0296421428435360 -0.0234023677146545 0.7924374772807079
|
|
||||||
5700 67.5387458290206268 -5025.4064170374704190 -5042.3089591155567177 16.9025420780860394 -5013.4709838355611282 -28.8379752799952662 96.2205711036252467 22.0096596368001904 20.3059642066740196 3.4573305989946799 -0.0307452903816626 -0.0342930346706216 0.3019228865322697
|
|
||||||
5800 68.6898558190441690 -5025.4061379335107631 -5041.8074986877008996 16.4013607541903390 -5012.9602210852863209 -28.8472776024147421 93.3675119017057114 22.0065887294783344 20.3020529443920665 3.4497605237377127 -0.0307408713729807 -0.0429246008353057 -0.4408374456500690
|
|
||||||
5900 70.0917209680192173 -5025.3977138810505494 -5041.5243953933731973 16.1266815123228398 -5012.4530953037283325 -29.0713000896457601 91.8038539974270691 22.0036093293714039 20.2974427818030136 3.3830406669234994 -0.0276754433884746 -0.0487340588861634 -0.7731644790859656
|
|
||||||
6000 71.2613310019951314 -5025.4061897320334538 -5042.4973921892833459 17.0912024572499490 -5013.5346207663915266 -28.9627714228926898 97.2945521263563080 22.0010725656439803 20.2924349365514125 3.3248475534562418 -0.0226297068438173 -0.0517943560203192 -0.2513566834436860
|
|
||||||
6100 72.4216459180461243 -5025.4111943337366029 -5042.4304955357329163 17.0193012019962850 -5013.4446926488462850 -28.9858028868861908 96.8852421059100521 21.9992326732656416 20.2872743822956600 3.3454905118317124 -0.0138160202955120 -0.0501527604556697 0.6139595522353440
|
|
||||||
6200 73.5876242220401764 -5025.3998619486119424 -5041.8009544770320645 16.4010925284199089 -5012.7254287269834094 -29.0755257500489890 93.3659849812758722 21.9982551894938574 20.2823559183307758 3.4200524172167195 -0.0058682357664527 -0.0477653950326091 0.7072791948884631
|
|
||||||
6300 74.7366292540100403 -5025.3991024532933807 -5041.6578117585850123 16.2587093052920402 -5012.8397513602722029 -28.8180603983131718 92.5554444731294268 21.9980348192884492 20.2778618173320844 3.4621508509649850 0.0012759918628081 -0.0415391303210138 0.0719391735259730
|
|
||||||
6400 75.8949150920379907 -5025.3985438479558070 -5041.8926157501973648 16.4940719022415543 -5012.9343359646609315 -28.9582797855367176 93.8952857461339079 21.9984608992216870 20.2740639069954121 3.4333413348240081 0.0071673667795489 -0.0342923190921417 -0.6024624741325313
|
|
||||||
6500 77.0539659400237724 -5025.3999600806355375 -5041.8653986061344767 16.4654385254990245 -5012.7464610083952721 -29.1189375977399578 93.7322854204986555 21.9994997416619711 20.2710982777120954 3.3610062476568374 0.0142487960766090 -0.0238185878593028 -0.7047715901527828
|
|
||||||
6600 78.5999028970254585 -5025.4057704511451448 -5042.3215944746934838 16.9158240235481756 -5013.4556086412558216 -28.8659858334370156 96.2961808179409928 22.0012244339992940 20.2694975559910091 3.3221119559272521 0.0206236059170565 -0.0086820184699541 0.0358687376074831
|
|
||||||
6700 79.8250733939930797 -5025.4042369629851237 -5042.2991847843286450 16.8949478213436102 -5013.2745186145393745 -29.0246661697894055 96.1773395164776872 22.0035228933514233 20.2694298883667052 3.3665382079959651 0.0251929228865793 0.0064452615862544 0.7398164418248552
|
|
||||||
6800 80.9874257780029438 -5025.4149541181532186 -5042.7962990017040283 17.3813448835506001 -5013.8631914424222487 -28.9331075592822771 98.9462368156217877 22.0061969306599998 20.2708479540842212 3.4383567097341898 0.0277090864588332 0.0208924976028228 0.5485097024541594
|
|
||||||
6900 82.2781793380272575 -5025.3945564155828833 -5041.2566713058931782 15.8621148903101510 -5012.4623560467261996 -28.7943152591673730 90.2977638869920156 22.0089986714469674 20.2734300773294862 3.4600092984345316 0.0280593910782676 0.0310896707675793 -0.1463209852219078
|
|
||||||
7000 83.4404686560155824 -5025.3952994606634093 -5041.6543672051639078 16.2590677445006015 -5012.6069843852856138 -29.0473828198785782 92.5574849487687885 22.0117925249332593 20.2770676863368315 3.4134107292366291 0.0269363686714677 0.0411713877401656 -0.7112212465178037
|
|
||||||
7100 84.5968778430251405 -5025.4007603676855069 -5042.2329345346870468 16.8321741670019307 -5013.2275493052911770 -29.0053852293960759 95.8199899034363938 22.0143610431743149 20.2816289673576087 3.3427075272995799 0.0237872415502196 0.0490441626858190 -0.5472896336687677
|
|
||||||
7200 85.7572498430381529 -5025.3974915436865558 -5041.7945955363265966 16.3971039926398028 -5012.8313575860174751 -28.9632379503097042 93.3432795687493808 22.0163859033172216 20.2867748265654058 3.3285600536621693 0.0165298576203055 0.0538311426566842 0.2938370338019134
|
|
||||||
7300 86.9434509190032259 -5025.4100572623510743 -5042.0883477745555865 16.6782905122044660 -5012.9702743899733832 -29.1180733845828428 94.9439812486600232 22.0177218159220800 20.2920813914563816 3.3889711610256499 0.0099257716002105 0.0524971881967137 0.7654243328780935
|
|
||||||
7400 88.1003905290272087 -5025.4008152901669746 -5041.6485797847517460 16.2477644945846578 -5012.7509075535590455 -28.8976722311927219 92.4931392925228550 22.0184429996648170 20.2972136001887762 3.4511166990362638 0.0044130292334549 0.0493609850661665 0.3682517730369118
|
|
||||||
7500 89.2996820280095562 -5025.4020754014563863 -5041.9550073109521691 16.5529319094957543 -5013.1017666545494649 -28.8532406564024804 94.2303562631601892 22.0186059673764127 20.3019306435107829 3.4515445354063168 -0.0010697714965434 0.0436146952934956 -0.3551397060837367
|
|
||||||
7600 90.5618456410011277 -5025.3929519484890989 -5041.5352890260082859 16.1423370775190982 -5012.5185731109741027 -29.0167159150341760 91.8929759423496080 22.0181918732783508 20.3058093897626541 3.3907072098692783 -0.0077906403123609 0.0344875434248021 -0.7510478289850223
|
|
||||||
7700 91.7723228640388697 -5025.4083899039087555 -5042.3085035279354997 16.9001136240271137 -5013.3862163999392578 -28.9222871279962845 96.2067467193776338 22.0171116461022791 20.3085395281403258 3.3294602057393976 -0.0140242417133003 0.0194488897998306 -0.3291988824677945
|
|
||||||
7800 92.9413640320417471 -5025.4088205050420584 -5041.6937795006360830 16.2849589955940068 -5012.7518738556918834 -28.9419056449434464 92.7048752617338891 22.0153699245972980 20.3096402131253626 3.3405377445245996 -0.0206874492959494 0.0024020372787611 0.5268251462470672
|
|
||||||
7900 94.4233713660505600 -5025.4086877788031416 -5042.0898070334278600 16.6811192546242708 -5013.0557892763890777 -29.0340177570384341 94.9600843419037091 22.0130135165568248 20.3092263402688644 3.4109056375926126 -0.0253561229093074 -0.0114521930970601 0.7247193201128768
|
|
||||||
8000 95.6260597730288282 -5025.4005274389073747 -5041.5154853271778848 16.1149578882706237 -5012.7120503802434541 -28.8034349469349920 91.7371152905215013 22.0103036454440684 20.3073931276852804 3.4590979710673522 -0.0281528841740650 -0.0237682605693130 0.1613878328187369
|
|
||||||
8100 96.7842931560007855 -5025.4053665421533879 -5042.1894447903450782 16.7840782481914665 -5013.2333102392240107 -28.9561345511206838 95.5461957750551818 22.0074529851401053 20.3045049731579077 3.4391653754846176 -0.0285053466321131 -0.0335616960987157 -0.5315168066124235
|
|
||||||
8200 97.9501550050335936 -5025.4056941639546494 -5041.9921704239559404 16.5864762600012661 -5012.8905319814539325 -29.1016384425013328 94.4213131350927881 22.0046033201667974 20.3006386231954856 3.3697166434334109 -0.0279171913030586 -0.0440297345634183 -0.7233209623948276
|
|
||||||
8300 99.1202951990417205 -5025.3993864105968896 -5041.6550396005832226 16.2556531899865853 -5012.7354100842831031 -28.9196295163002119 92.5380470213916482 22.0020282884824283 20.2959383079965683 3.3236096037486442 -0.0234814295194575 -0.0495757237271515 -0.0781852877134260
|
|
||||||
8400 100.2907066670013592 -5025.4050168007570392 -5042.4116164615488742 17.0065996607914265 -5013.3253826950494840 -29.0862337664993156 96.8129364407040924 21.9999747851567946 20.2907043369736293 3.3580457506538419 -0.0172292815521034 -0.0540194901749135 0.6743678827760200
|
|
||||||
8500 101.4595158430165611 -5025.3896509324949875 -5041.2159279476472875 15.8262770151526624 -5012.2067880886852436 -29.0091398589626195 90.0937507392143999 21.9985684955843546 20.2853297444598226 3.4300279660165618 -0.0111633348131576 -0.0523517871524280 0.6129192799521199
|
|
||||||
8600 102.6223388280486688 -5025.4018476745841326 -5041.4510907574731391 16.0492430828888608 -5012.6451181237571291 -28.8059726337163227 91.3630226792098199 21.9977945492323492 20.2802923055429680 3.4601353788922511 -0.0045089085677838 -0.0490401321065509 -0.0560793211441527
|
|
||||||
8700 103.7857662939932197 -5025.3942518544345148 -5041.2184273163638863 15.8241754619297001 -5012.2565174217952517 -28.9619098945681799 90.0817872931017405 21.9976866638961610 20.2757523819081804 3.4211478907276227 0.0020659146206532 -0.0414436983596942 -0.6562444939603165
|
|
||||||
8800 104.9577097550500184 -5025.4022671237153190 -5041.8626441679734853 16.4603770442582658 -5012.8426762097215033 -29.0199679582518151 93.7034720850035541 21.9982205093549688 20.2721004487751912 3.3509491647330680 0.0085057984890194 -0.0308961138564155 -0.6069595457833823
|
|
||||||
8900 106.1287890840321779 -5025.4052507845035507 -5042.2508636213824502 16.8456128368789493 -5013.3629703916931248 -28.8878932296881956 95.8964917979127449 21.9994405230768102 20.2696708412316546 3.3265804933545531 0.0155084216130566 -0.0167964958841456 0.1826414328899625
|
|
||||||
9000 107.3016250670189038 -5025.4004751143402245 -5041.6628696531170135 16.2623945387763733 -5012.6074414951381186 -29.0554281579796871 92.5764232861904759 22.0012198615606422 20.2687838521467185 3.3793520753014836 0.0199734843735534 -0.0019939871679624 0.7393704825316162
|
|
||||||
9100 108.4706182610243559 -5025.4021047075621027 -5041.8073065771823167 16.4052018696199333 -5012.8640984802987077 -28.9432080968828522 93.3893780990269988 22.0034855215300205 20.2692639615896404 3.4450793491809684 0.0240871130007129 0.0114742738717532 0.4476821128123131
|
|
||||||
9200 109.6369604960200377 -5025.4031454767773539 -5042.1816796811663153 16.7785342043892634 -5013.3058475082143559 -28.8758321729517640 95.5146353708031342 22.0059499464219179 20.2710026662379228 3.4543741700290989 0.0250098145089318 0.0232231191592319 -0.2737178351814341
|
|
||||||
9300 110.8078396720229648 -5025.3992883854634783 -5041.5310269301671724 16.1317385447035591 -5012.5173159573560042 -29.0137109728104114 91.8326420070361849 22.0084617214542924 20.2738402346505993 3.3995496325670125 0.0252037567343996 0.0335240097442505 -0.7200850104543423
|
|
||||||
9400 111.9826453819987364 -5025.3988527094979872 -5041.7418936811573076 16.3430409716589438 -5012.7308085838158149 -29.0110850973410592 93.0355167050136629 22.0109364415103386 20.2777564631153098 3.3357718843630857 0.0237501814778520 0.0444235846615718 -0.4158703702081880
|
|
||||||
9500 113.1567846690304577 -5025.4051255531121569 -5042.2489687624847647 16.8438432093728032 -5013.3397718220858224 -28.9091969403984521 95.8864178949166615 22.0131903134697460 20.2825381608416215 3.3351665472353877 0.0203457038293413 0.0508047188326974 0.4211121614393614
|
|
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9600 114.3233812840189785 -5025.4041532078053933 -5042.0758767508377787 16.6717235430326198 -5012.9894578671246563 -29.0864188837131117 94.9065976692424584 22.0149721140890797 20.2878771553206860 3.4007300130942268 0.0158541211761416 0.0552359416684117 0.7315105552398365
|
|
||||||
9700 115.4929532760288566 -5025.3998314232658231 -5041.4491160600928197 16.0492846368267905 -5012.5665063170945359 -28.8826097429975661 91.3632592320088435 22.0163104129693679 20.2933608101085134 3.4538398927567129 0.0107475116378220 0.0533745483954881 0.2423720374586358
|
|
||||||
9800 116.6568448590114713 -5025.4060328077384838 -5041.9441021408847519 16.5380693331462645 -5013.0600606356529170 -28.8840415052319699 94.1457485409718657 22.0171383538163319 20.2984615200070699 3.4418436654918718 0.0055691607030332 0.0484221019754039 -0.4555881967899209
|
|
||||||
9900 117.8205927780363709 -5025.4059535467131354 -5042.1049269188570179 16.6989733721435982 -5013.0326878900941665 -29.0722390287624570 95.0617219166735055 22.0173811382230866 20.3029333126575224 3.3777971259251927 -0.0004208957689860 0.0399240614860051 -0.7066946321892024
|
|
||||||
10000 118.9876703190384433 -5025.4003336218293043 -5041.6049734892676497 16.2046398674379049 -5012.5657855383178685 -29.0391879509508577 92.2476450802604688 22.0169880599834578 20.3062835677433853 3.3276491770664203 -0.0079109840550239 0.0265739864961977 -0.1844514587639604
|
|
||||||
Loop time of 118.988 on 4 procs for 10000 steps with 1360 atoms
|
|
||||||
|
|
||||||
Performance: 7.261 ns/day, 3.305 hours/ns, 84.042 timesteps/s
|
|
||||||
99.9% CPU use with 4 MPI tasks x 1 OpenMP threads
|
|
||||||
|
|
||||||
MPI task timing breakdown:
|
|
||||||
Section | min time | avg time | max time |%varavg| %total
|
|
||||||
---------------------------------------------------------------
|
|
||||||
Pair | 110.45 | 112 | 113.28 | 9.6 | 94.13
|
|
||||||
Bond | 0.0044251 | 0.0047127 | 0.0049699 | 0.3 | 0.00
|
|
||||||
Neigh | 0 | 0 | 0 | 0.0 | 0.00
|
|
||||||
Comm | 5.5177 | 6.7957 | 8.3394 | 39.1 | 5.71
|
|
||||||
Output | 0.012448 | 0.013192 | 0.015358 | 1.1 | 0.01
|
|
||||||
Modify | 0.060352 | 0.062195 | 0.063596 | 0.5 | 0.05
|
|
||||||
Other | | 0.114 | | | 0.10
|
|
||||||
|
|
||||||
Nlocal: 340 ave 344 max 334 min
|
|
||||||
Histogram: 1 0 0 0 0 0 1 0 1 1
|
|
||||||
Nghost: 4628 ave 4634 max 4624 min
|
|
||||||
Histogram: 1 0 1 0 1 0 0 0 0 1
|
|
||||||
Neighs: 0 ave 0 max 0 min
|
|
||||||
Histogram: 4 0 0 0 0 0 0 0 0 0
|
|
||||||
FullNghs: 66301.5 ave 67860 max 63963 min
|
|
||||||
Histogram: 1 0 0 0 0 0 1 0 1 1
|
|
||||||
|
|
||||||
Total # of neighbors = 265206
|
|
||||||
Ave neighs/atom = 195.004
|
|
||||||
Ave special neighs/atom = 0
|
|
||||||
Neighbor list builds = 0
|
|
||||||
Dangerous builds = 0
|
|
||||||
Total wall time: 0:01:59
|
|
||||||
Loading…
Reference in New Issue