forked from lijiext/lammps
609 lines
26 KiB
Groff
609 lines
26 KiB
Groff
LAMMPS (5 Oct 2016)
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# pour particles into cone-shaped funnel, settle them, let them run out bottom
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variable name string funnel_pour
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thermo_modify flush yes
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units si
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variable PI equal 3.141592653589
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variable seed equal 14314
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###############################################
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# Geometry-related parameters
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###############################################
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variable xlo equal 10
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variable xhi equal 40
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variable ylo equal 10
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variable yhi equal 40
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variable zlo equal -20
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variable zhi equal 50
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variable xc equal 25
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variable yc equal 25
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variable zconehi equal 50
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variable zconelo equal 10
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variable zcyllo equal 0
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variable radconelo equal 2
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variable radconehi equal 20
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################################################
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# Particle sizes
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################################################
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variable rlo equal 0.25
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variable rhi equal 0.5
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variable dlo equal 2.0*${rlo}
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variable dlo equal 2.0*0.25
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variable dhi equal 2.0*${rhi}
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variable dhi equal 2.0*0.5
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variable skin equal ${rhi}
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variable skin equal 0.5
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###############################################
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# Granular contact parameters
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###############################################
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variable coeffRes equal 0.1
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variable coeffFric equal 0.5
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variable density equal 1.0
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variable EYoung equal 10^5
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variable Poisson equal 2.0/7.0
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variable GShear equal ${EYoung}/(2*(1+${Poisson}))
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variable GShear equal 100000/(2*(1+${Poisson}))
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variable GShear equal 100000/(2*(1+0.285714285714286))
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variable gravity equal 1.0
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variable reff equal 0.5*(${rhi}+${rlo})
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variable reff equal 0.5*(0.5+${rlo})
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variable reff equal 0.5*(0.5+0.25)
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variable meff equal ${density}*4.0/3.0*${PI}*${reff}^3
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variable meff equal 1*4.0/3.0*${PI}*${reff}^3
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variable meff equal 1*4.0/3.0*3.141592653589*${reff}^3
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variable meff equal 1*4.0/3.0*3.141592653589*0.375^3
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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}*${rlo}
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variable min_mass equal 1*4.0/3.0*3.141592653589*${rlo}*${rlo}*${rlo}
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variable min_mass equal 1*4.0/3.0*3.141592653589*0.25*${rlo}*${rlo}
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variable min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*${rlo}
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variable min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*0.25
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variable max_mass equal ${density}*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi}
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variable max_mass equal 1*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi}
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variable max_mass equal 1*4.0/3.0*3.141592653589*${rhi}*${rhi}*${rhi}
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variable max_mass equal 1*4.0/3.0*3.141592653589*0.5*${rhi}*${rhi}
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variable max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*${rhi}
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variable max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*0.5
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## Typical way to set kn, kt, etc.:
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variable kn equal 4.0*${GShear}/(3*(1-${Poisson}))
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variable kn equal 4.0*38888.8888888889/(3*(1-${Poisson}))
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variable kn equal 4.0*38888.8888888889/(3*(1-0.285714285714286))
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variable kt equal 4.0*${GShear}/(2-${Poisson})
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variable kt equal 4.0*38888.8888888889/(2-${Poisson})
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variable kt equal 4.0*38888.8888888889/(2-0.285714285714286)
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variable a equal (-2.0*log(${coeffRes})/${PI})^2
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variable a equal (-2.0*log(0.1)/${PI})^2
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variable a equal (-2.0*log(0.1)/3.141592653589)^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(0.405284734569556*2*${kn}/${min_mass}/(1+0.25*$a))
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variable gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/${min_mass}/(1+0.25*$a))
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variable gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*$a))
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variable gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*0.405284734569556))
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variable gamma_t equal ${gamma_n}*0.5
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variable gamma_t equal 903.503751814138*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 3.141592653589/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
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variable tcol equal 3.141592653589/sqrt(2*72592.5925925926/${min_mass}-${gamma_n}/4.0)
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variable tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-${gamma_n}/4.0)
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variable tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-903.503751814138/4.0)
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variable dt equal ${tcol}*0.05
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variable dt equal 0.00210943016014969*0.05
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timestep ${dt}
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timestep 0.000105471508007485
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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 off
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atom_style sphere
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boundary p p f
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region boxreg block ${xlo} ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}
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region boxreg block 10 ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}
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region boxreg block 10 40 ${ylo} ${yhi} ${zlo} ${zhi}
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region boxreg block 10 40 10 ${yhi} ${zlo} ${zhi}
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region boxreg block 10 40 10 40 ${zlo} ${zhi}
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region boxreg block 10 40 10 40 -20 ${zhi}
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region boxreg block 10 40 10 40 -20 50
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create_box 1 boxreg
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Created orthogonal box = (10 10 -20) to (40 40 50)
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1 by 1 by 1 MPI processor grid
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pair_style gran/hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
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pair_style gran/hertz/history 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
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pair_style gran/hertz/history 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1
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pair_style gran/hertz/history 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1
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pair_style gran/hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1
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pair_style gran/hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1
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pair_coeff * *
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neighbor ${skin} bin
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neighbor 0.5 bin
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thermo ${logfreq}
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thermo 1000
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comm_style brick
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comm_modify mode multi group all vel yes
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balance 1.1 shift xyz 20 1.1
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Neighbor list info ...
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2 neighbor list requests
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update every 1 steps, delay 10 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 0
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ghost atom cutoff = 0
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binsize = 30 -> bins = 1 1 3
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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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# insertion region for fix/pour
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region insreg cylinder z ${xc} ${yc} 10 30 50 side in units box
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region insreg cylinder z 25 ${yc} 10 30 50 side in units box
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region insreg cylinder z 25 25 10 30 50 side in units box
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# define cone and cylinder regions - see lammps doc on region command
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# note new open options
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region cylreg cylinder z ${xc} ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 2 #Top is open
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region cylreg cylinder z 25 ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 2
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region cylreg cylinder z 25 25 ${radconelo} ${zcyllo} ${zconelo} side in units box open 2
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region cylreg cylinder z 25 25 2 ${zcyllo} ${zconelo} side in units box open 2
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region cylreg cylinder z 25 25 2 0 ${zconelo} side in units box open 2
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region cylreg cylinder z 25 25 2 0 10 side in units box open 2
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region conereg cone z ${xc} ${yc} ${radconelo} ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2 #Bottom and top are open
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region conereg cone z 25 ${yc} ${radconelo} ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2
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region conereg cone z 25 25 ${radconelo} ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2
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region conereg cone z 25 25 2 ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2
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region conereg cone z 25 25 2 20 ${zconelo} ${zconehi} side in units box open 1 open 2
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region conereg cone z 25 25 2 20 10 ${zconehi} side in units box open 1 open 2
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region conereg cone z 25 25 2 20 10 50 side in units box open 1 open 2
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region hopreg union 2 conereg cylreg
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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 hopper3 all wall/gran/region hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
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fix hopper3 all wall/gran/region hertz/history 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
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fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
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fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg
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fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg
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fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg
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fix ins all pour 2000 1 42424 region insreg diam range ${dlo} ${dhi} dens ${density} ${density}
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fix ins all pour 2000 1 42424 region insreg diam range 0.5 ${dhi} dens ${density} ${density}
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fix ins all pour 2000 1 42424 region insreg diam range 0.5 1 dens ${density} ${density}
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fix ins all pour 2000 1 42424 region insreg diam range 0.5 1 dens 1 ${density}
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fix ins all pour 2000 1 42424 region insreg diam range 0.5 1 dens 1 1
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Particle insertion: 3000 every 59965 steps, 2000 by step 1
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#dump 1 all custom ${dumpfreq} ${name}.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 3.0 # 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
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WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:690)
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thermo_modify flush yes lost warn
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# Initial run to fill up the cone
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run 20000
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Neighbor list info ...
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2 neighbor list requests
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update every 1 steps, delay 10 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 1.5
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ghost atom cutoff = 1.5
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binsize = 0.75 -> bins = 40 40 94
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Memory usage per processor = 3.59417 Mbytes
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Step CPU Atoms KinEng
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0 0 0 -0
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1000 0.54582715 2000 -0
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2000 0.93155909 2000 -0
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3000 1.3159981 2000 -0
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4000 1.697911 2000 -0
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5000 2.080133 2000 -0
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6000 2.461525 2000 -0
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7000 2.842278 2000 -0
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8000 3.222302 2000 -0
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9000 3.6018171 2000 -0
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10000 3.9843922 2000 -0
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11000 4.363066 2000 -0
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12000 4.743022 2000 -0
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13000 5.121953 2000 -0
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14000 5.5021431 2000 -0
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15000 5.8807089 2000 -0
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16000 6.2604752 2000 -0
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17000 6.640244 2000 -0
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18000 7.0199981 2000 -0
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19000 7.40029 2000 -0
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20000 7.7834539 2000 -0
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Loop time of 7.78348 on 1 procs for 20000 steps with 2000 atoms
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99.9% CPU use with 1 MPI tasks x no OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0.64588 | 0.64588 | 0.64588 | 0.0 | 8.30
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Neigh | 0.097229 | 0.097229 | 0.097229 | 0.0 | 1.25
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Comm | 0.011505 | 0.011505 | 0.011505 | 0.0 | 0.15
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Output | 0.00041127 | 0.00041127 | 0.00041127 | 0.0 | 0.01
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Modify | 6.8117 | 6.8117 | 6.8117 | 0.0 | 87.51
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Other | | 0.2168 | | | 2.79
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Nlocal: 2000 ave 2000 max 2000 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 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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Neighs: 1537 ave 1537 max 1537 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 1537
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Ave neighs/atom = 0.7685
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Neighbor list builds = 69
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Dangerous builds = 0
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unfix ins
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run 150000
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Neighbor list info ...
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2 neighbor list requests
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update every 1 steps, delay 10 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 1.49993
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ghost atom cutoff = 1.49993
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binsize = 0.749963 -> bins = 41 41 94
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Memory usage per processor = 9.40639 Mbytes
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Step CPU Atoms KinEng
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20000 0 2000 6443.7665
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21000 0.37979388 2000 6572.3531
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22000 0.76149178 2000 6723.8376
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23000 1.1449339 2000 6853.1812
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24000 1.529017 2000 6976.0209
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25000 1.9145579 2000 7096.9955
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26000 2.30124 2000 7215.5795
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27000 2.6893978 2000 7349.2382
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28000 3.0777299 2000 7471.8719
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29000 3.4699018 2000 7574.7988
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30000 3.8656738 2000 7660.2353
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31000 4.2606828 2000 7703.5736
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32000 4.6632309 2000 7643.5299
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33000 5.0728998 2000 7520.14
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34000 5.4878559 2000 7372.2247
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35000 5.910604 2000 7192.1639
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36000 6.340683 2000 6985.7075
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37000 6.8159268 2000 6858.944
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38000 7.2553098 2000 6717.0485
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39000 7.699847 2000 6541.6874
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40000 8.1524599 2000 6382.1661
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41000 8.6083429 2000 6235.6681
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42000 9.0669999 2000 6103.095
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43000 9.5359929 2000 5951.0523
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44000 10.012767 2000 5811.0158
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45000 10.497891 2000 5627.7273
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46000 10.988827 2000 5471.7262
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47000 11.48741 2000 5299.1205
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48000 11.990619 2000 5164.1642
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49000 12.497663 2000 5006.5014
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50000 13.020399 2000 4872.2336
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51000 13.548012 2000 4694.5332
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52000 14.082238 2000 4515.5164
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53000 14.622731 2000 4384.7531
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54000 15.170292 2000 4215.1354
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55000 15.721908 2000 4063.0658
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56000 16.285099 2000 3895.7872
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57000 16.858606 2000 3693.0537
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58000 17.440427 2000 3514.887
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59000 18.03239 2000 3268.5625
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60000 18.640969 2000 3049.7365
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61000 19.245721 2000 2885.6786
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62000 19.85574 2000 2652.9108
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63000 20.47405 2000 2408.6484
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64000 21.10165 2000 2126.9549
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65000 21.743939 2000 1879.2829
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66000 22.39462 2000 1645.0406
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67000 23.059044 2000 1425.8023
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68000 23.730976 2000 1160.2206
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69000 24.410132 2000 961.78467
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70000 25.096468 2000 785.64232
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71000 25.778622 2000 626.09642
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72000 26.474474 2000 468.40645
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73000 27.171065 2000 358.58331
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74000 27.860177 2000 299.43443
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75000 28.544588 2000 246.40717
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76000 29.226358 2000 206.30408
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77000 29.902697 2000 176.97739
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78000 30.577693 2000 144.25328
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79000 31.269697 2000 115.11502
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80000 31.977588 2000 97.780887
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81000 32.685445 2000 82.593472
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82000 33.397946 2000 72.226521
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83000 34.114464 2000 62.978026
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84000 34.831341 2000 55.350711
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85000 35.545558 2000 51.162661
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86000 36.266238 2000 46.100957
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87000 36.99804 2000 41.19148
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88000 37.743379 2000 36.31567
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89000 38.499655 2000 32.456379
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90000 39.270287 2000 30.16589
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91000 40.035401 2000 27.36473
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92000 40.799095 2000 25.488138
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93000 41.564371 2000 23.674866
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94000 42.335499 2000 22.219066
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95000 43.114508 2000 20.982603
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96000 43.897793 2000 19.840979
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97000 44.685675 2000 19.092279
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98000 45.483452 2000 18.20277
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99000 46.282718 2000 17.512786
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100000 47.085373 2000 16.921053
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101000 47.888376 2000 16.228234
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102000 48.698546 2000 15.958752
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103000 49.51312 2000 15.640913
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104000 50.330832 2000 14.016542
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105000 51.146589 2000 13.484725
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106000 51.96128 2000 13.369222
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107000 52.781047 2000 12.965898
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108000 53.604374 2000 12.268212
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109000 54.424389 2000 11.492904
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110000 55.253544 2000 11.110936
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111000 56.077677 2000 10.05383
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112000 56.904333 2000 10.159311
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113000 57.729366 2000 10.071694
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114000 58.559509 2000 9.820289
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115000 59.391732 2000 9.4736012
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116000 60.221045 2000 9.5616457
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117000 61.052557 2000 8.6478552
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118000 61.890195 2000 8.7425719
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119000 62.726358 2000 8.4741204
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120000 63.565646 2000 7.772287
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121000 64.397804 2000 6.9466866
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122000 65.231394 2000 6.7645153
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123000 66.064887 2000 6.6568629
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124000 66.901915 2000 6.7578346
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125000 67.741833 2000 6.7845523
|
|
126000 68.582414 2000 6.8385357
|
|
127000 69.421944 2000 6.8984218
|
|
128000 70.262972 2000 7.031649
|
|
129000 71.108668 2000 6.5894805
|
|
130000 71.954121 2000 6.6452991
|
|
131000 72.795366 2000 6.7278453
|
|
132000 73.639866 2000 6.679577
|
|
133000 74.484945 2000 6.8049542
|
|
134000 75.326506 2000 6.9015567
|
|
135000 76.171268 2000 7.2052436
|
|
136000 77.015739 2000 7.5532841
|
|
137000 77.861613 2000 7.2577958
|
|
138000 78.706479 2000 7.5218509
|
|
139000 79.549466 2000 7.5221639
|
|
140000 80.398284 2000 7.6657717
|
|
141000 81.240794 2000 7.9761942
|
|
142000 82.087164 2000 8.2314258
|
|
143000 82.931215 2000 8.3019975
|
|
144000 83.777896 2000 8.0179905
|
|
145000 84.622383 2000 8.2517491
|
|
146000 85.469753 2000 6.9481522
|
|
147000 86.315756 2000 6.6131212
|
|
148000 87.164711 2000 6.7706881
|
|
149000 88.012004 2000 6.8104528
|
|
150000 88.861557 2000 6.7339102
|
|
151000 89.708494 2000 6.4777998
|
|
152000 90.558437 2000 6.3011889
|
|
153000 91.40365 2000 6.3101502
|
|
154000 92.249997 2000 6.5542552
|
|
155000 93.099774 2000 6.7687268
|
|
156000 93.945557 2000 6.7974687
|
|
157000 94.795065 2000 6.4615869
|
|
158000 95.645761 2000 6.5566144
|
|
159000 96.495711 2000 6.4371
|
|
160000 97.349979 2000 6.4540668
|
|
161000 98.19875 2000 6.6987231
|
|
162000 99.049934 2000 6.2464506
|
|
163000 99.902813 2000 4.7573102
|
|
164000 100.75416 2000 4.7782706
|
|
165000 101.60479 2000 4.9414064
|
|
166000 102.45183 2000 4.970526
|
|
167000 103.30172 2000 5.1492473
|
|
168000 104.15283 2000 5.3633229
|
|
169000 105.00583 2000 4.3464936
|
|
170000 105.85919 2000 3.6784016
|
|
Loop time of 105.859 on 1 procs for 150000 steps with 2000 atoms
|
|
|
|
99.9% CPU use with 1 MPI tasks x no OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 46.786 | 46.786 | 46.786 | -nan | 44.20
|
|
Neigh | 0.88556 | 0.88556 | 0.88556 | 0.0 | 0.84
|
|
Comm | 0.080127 | 0.080127 | 0.080127 | 0.0 | 0.08
|
|
Output | 0.0033967 | 0.0033967 | 0.0033967 | 0.0 | 0.00
|
|
Modify | 56.418 | 56.418 | 56.418 | 0.0 | 53.29
|
|
Other | | 1.687 | | | 1.59
|
|
|
|
Nlocal: 2000 ave 2000 max 2000 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Nghost: 0 ave 0 max 0 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Neighs: 15507 ave 15507 max 15507 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 15507
|
|
Ave neighs/atom = 7.7535
|
|
Neighbor list builds = 401
|
|
Dangerous builds = 0
|
|
|
|
# remove "plug" - need to redefine cylinder region & union
|
|
|
|
region cylreg delete
|
|
region hopreg delete
|
|
region cylreg cylinder z ${xc} ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 1 open 2 #Bottom & top are open
|
|
region cylreg cylinder z 25 ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 1 open 2
|
|
region cylreg cylinder z 25 25 ${radconelo} ${zcyllo} ${zconelo} side in units box open 1 open 2
|
|
region cylreg cylinder z 25 25 2 ${zcyllo} ${zconelo} side in units box open 1 open 2
|
|
region cylreg cylinder z 25 25 2 0 ${zconelo} side in units box open 1 open 2
|
|
region cylreg cylinder z 25 25 2 0 10 side in units box open 1 open 2
|
|
|
|
region hopreg union 2 cylreg conereg
|
|
|
|
unfix hopper3
|
|
fix hopper3 all wall/gran/region hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
|
|
fix hopper3 all wall/gran/region hertz/history 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
|
|
fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
|
|
fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg
|
|
fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg
|
|
fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg
|
|
|
|
run 100000
|
|
Memory usage per processor = 9.40667 Mbytes
|
|
Step CPU Atoms KinEng
|
|
170000 0 2000 3.6784016
|
|
171000 0.84847808 2000 4.3936331
|
|
172000 1.6901879 2000 5.5750342
|
|
173000 2.523411 2000 6.8205762
|
|
174000 3.3501492 2000 8.9700613
|
|
175000 4.1766891 2000 11.336633
|
|
176000 4.9954321 2000 14.225242
|
|
177000 5.814229 2000 17.653262
|
|
178000 6.630548 2000 21.796078
|
|
179000 7.4493361 2000 26.660801
|
|
180000 8.2656369 2000 32.428193
|
|
181000 9.069953 2000 39.229088
|
|
182000 9.8759181 2000 46.242732
|
|
183000 10.674972 2000 54.604245
|
|
184000 11.47082 2000 63.96931
|
|
185000 12.259916 2000 74.132316
|
|
186000 13.046788 2000 84.690798
|
|
187000 13.832446 2000 95.486707
|
|
188000 14.612976 2000 106.68052
|
|
189000 15.391779 2000 118.91376
|
|
190000 16.160107 2000 131.90023
|
|
191000 16.919573 2000 146.30664
|
|
192000 17.677855 2000 161.10142
|
|
193000 18.4352 2000 174.91947
|
|
194000 19.188156 2000 191.47629
|
|
195000 19.937255 2000 208.19912
|
|
196000 20.687716 2000 224.80045
|
|
197000 21.43754 2000 243.29637
|
|
198000 22.18579 2000 262.88685
|
|
199000 22.932473 2000 282.34797
|
|
200000 23.680828 2000 302.78689
|
|
201000 24.428559 2000 323.48767
|
|
202000 25.167341 2000 345.99414
|
|
203000 25.904465 2000 368.54389
|
|
204000 26.635727 2000 393.49643
|
|
205000 27.366891 2000 417.82722
|
|
206000 28.094282 2000 443.67976
|
|
207000 28.821021 2000 470.35934
|
|
208000 29.545596 2000 499.01368
|
|
209000 30.267439 2000 528.99746
|
|
210000 30.993287 2000 561.03931
|
|
211000 31.713729 2000 594.0482
|
|
212000 32.42933 2000 628.20118
|
|
213000 33.14608 2000 662.585
|
|
214000 33.863882 2000 697.41408
|
|
215000 34.580495 2000 733.36799
|
|
216000 35.302571 2000 770.46796
|
|
217000 36.023821 2000 806.72007
|
|
218000 36.74189 2000 844.06965
|
|
219000 37.460105 2000 884.31774
|
|
220000 38.177705 2000 926.23771
|
|
221000 38.886587 2000 970.02095
|
|
222000 39.594003 2000 1015.3938
|
|
223000 40.29579 2000 1061.1281
|
|
224000 41.001112 2000 1107.9962
|
|
225000 41.706489 2000 1155.3656
|
|
226000 42.417622 1998 1196.6939
|
|
227000 43.133238 1996 1240.8434
|
|
228000 43.844991 1990 1260.0436
|
|
229000 44.545565 1986 1280.0431
|
|
230000 45.246651 1974 1285.222
|
|
231000 45.934355 1970 1311.8189
|
|
232000 46.624066 1960 1300.7922
|
|
233000 47.310339 1943 1282.113
|
|
234000 47.993433 1932 1261.0871
|
|
235000 48.66937 1918 1211.0667
|
|
236000 49.332954 1911 1232.6411
|
|
237000 49.99742 1898 1209.112
|
|
238000 50.664096 1888 1189.4002
|
|
239000 51.336205 1875 1151.415
|
|
240000 52.010198 1863 1108.0821
|
|
241000 52.680788 1856 1090.2279
|
|
242000 53.343069 1843 1062.9726
|
|
243000 53.996768 1830 1016.0933
|
|
244000 54.635882 1825 1023.5568
|
|
245000 55.271259 1817 1012.2897
|
|
246000 55.902793 1811 1019.8355
|
|
247000 56.541437 1802 996.81934
|
|
248000 57.182244 1793 971.29353
|
|
249000 57.827453 1785 947.98166
|
|
250000 58.473311 1771 898.58408
|
|
251000 59.1075 1762 851.46342
|
|
252000 59.73473 1754 826.46301
|
|
253000 60.362094 1747 808.08292
|
|
254000 60.989489 1737 778.86892
|
|
255000 61.616293 1720 702.90046
|
|
256000 62.243096 1709 665.14293
|
|
257000 62.866596 1703 628.63036
|
|
258000 63.48969 1702 645.42118
|
|
259000 64.119075 1696 617.03362
|
|
260000 64.752187 1692 607.96874
|
|
261000 65.374973 1690 619.83155
|
|
262000 65.991365 1688 622.09585
|
|
263000 66.608686 1682 612.86762
|
|
264000 67.220696 1681 636.53769
|
|
265000 67.830797 1678 638.33305
|
|
266000 68.439964 1675 635.97419
|
|
267000 69.043459 1672 634.91103
|
|
268000 69.643043 1669 638.50196
|
|
269000 70.250146 1667 646.16045
|
|
270000 70.86361 1664 659.62209
|
|
Loop time of 70.8636 on 1 procs for 100000 steps with 1664 atoms
|
|
|
|
99.9% CPU use with 1 MPI tasks x no OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 33.501 | 33.501 | 33.501 | 0.0 | 47.27
|
|
Neigh | 0.63279 | 0.63279 | 0.63279 | 0.0 | 0.89
|
|
Comm | 0.055495 | 0.055495 | 0.055495 | 0.0 | 0.08
|
|
Output | 0.0021648 | 0.0021648 | 0.0021648 | 0.0 | 0.00
|
|
Modify | 35.602 | 35.602 | 35.602 | 0.0 | 50.24
|
|
Other | | 1.07 | | | 1.51
|
|
|
|
Nlocal: 1664 ave 1664 max 1664 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Nghost: 0 ave 0 max 0 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Neighs: 11687 ave 11687 max 11687 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 11687
|
|
Ave neighs/atom = 7.02344
|
|
Neighbor list builds = 261
|
|
Dangerous builds = 0
|
|
Total wall time: 0:03:04
|