636 lines
30 KiB
Groff
636 lines
30 KiB
Groff
LAMMPS (8 Feb 2023)
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OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
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using 1 OpenMP thread(s) per MPI task
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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} multi
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neighbor 0.5 multi
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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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Balancing ...
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Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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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 = 0
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ghost atom cutoff = 0
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binsize = 30, bins = 1 1 3
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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair gran/hertz/history, perpetual
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attributes: half, newton off, size, history
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pair build: half/size/multi/newtoff
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stencil: full/multi/3d
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bin: multi
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WARNING: Communication cutoff is 0.0. No ghost atoms will be generated. Atoms may get lost. (src/comm_brick.cpp:210)
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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 (src/output.cpp:895)
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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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CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
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Your simulation uses code contributions which should be cited:
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- neighbor multi command: doi:10.1016/j.cpc.2008.03.005, doi:10.1007/s40571-020-00361-2
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@Article{Intveld08,
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author = {in 't Veld, P. J. and S. J.~Plimpton and G. S. Grest},
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title = {Accurate and Efficient Methods for Modeling Colloidal
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Mixtures in an Explicit Solvent using Molecular Dynamics},
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journal = {Comput.\ Phys.\ Commut.},
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year = 2008,
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volume = 179,
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pages = {320--329}
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}
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@article{Shire2020,
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author = {Shire, Tom and Hanley, Kevin J. and Stratford, Kevin},
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title = {{DEM} Simulations of Polydisperse Media: Efficient Contact
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Detection Applied to Investigate the Quasi-Static Limit},
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journal = {Computational Particle Mechanics},
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year = {2020}
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}
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CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
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Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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Per MPI rank memory allocation (min/avg/max) = 6.648 | 6.648 | 6.648 Mbytes
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Step CPU Atoms KinEng
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0 0 0 -0
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1000 0.52844331 2000 -0
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2000 0.76085445 2000 -0
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3000 0.99183068 2000 -0
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4000 1.2193085 2000 -0
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5000 1.4439617 2000 -0
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6000 1.6703511 2000 -0
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7000 1.9053408 2000 -0
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8000 2.1323525 2000 -0
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9000 2.3566342 2000 -0
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10000 2.5829638 2000 -0
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11000 2.8106202 2000 -0
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12000 3.0371473 2000 -0
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13000 3.2621782 2000 -0
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14000 3.4860689 2000 -0
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15000 3.7138322 2000 -0
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16000 3.9424002 2000 -0
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17000 4.1703584 2000 -0
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18000 4.3973348 2000 -0
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19000 4.6213358 2000 -0
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20000 4.8547603 2000 -0
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Loop time of 4.85478 on 1 procs for 20000 steps with 2000 atoms
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99.8% 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 | 0.52375 | 0.52375 | 0.52375 | 0.0 | 10.79
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Neigh | 0.070018 | 0.070018 | 0.070018 | 0.0 | 1.44
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Comm | 0.011077 | 0.011077 | 0.011077 | 0.0 | 0.23
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Output | 0.00071321 | 0.00071321 | 0.00071321 | 0.0 | 0.01
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Modify | 4.1233 | 4.1233 | 4.1233 | 0.0 | 84.93
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Other | | 0.126 | | | 2.59
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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: 1607 ave 1607 max 1607 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 1607
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Ave neighs/atom = 0.8035
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Neighbor list builds = 71
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Dangerous builds = 0
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unfix ins
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run 150000
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Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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Per MPI rank memory allocation (min/avg/max) = 12.69 | 12.69 | 12.69 Mbytes
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Step CPU Atoms KinEng
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20000 0 2000 6652.2957
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21000 0.22761741 2000 6807.2201
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22000 0.45508977 2000 6973.9359
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23000 0.68132308 2000 7142.3648
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24000 0.91084802 2000 7276.9717
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25000 1.1397154 2000 7369.4191
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26000 1.3724974 2000 7497.6526
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27000 1.6037436 2000 7638.946
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28000 1.8381254 2000 7780.0339
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29000 2.0763695 2000 7881.8177
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30000 2.3169444 2000 7967.2641
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31000 2.5544704 2000 7994.9273
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32000 2.7981688 2000 7937.0671
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33000 3.0486439 2000 7774.0508
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34000 3.3065315 2000 7591.1491
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35000 3.5712927 2000 7357.5176
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36000 3.8415508 2000 7147.2024
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37000 4.1137466 2000 6979.1604
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38000 4.3946186 2000 6813.2152
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39000 4.6737386 2000 6660.2701
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40000 4.9654287 2000 6502.8957
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41000 5.2606376 2000 6324.3951
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42000 5.5633065 2000 6132.7516
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43000 5.8692745 2000 5913.1841
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44000 6.1757115 2000 5732.2095
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45000 6.4896845 2000 5508.8322
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46000 6.8170163 2000 5306.8932
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47000 7.1514543 2000 5152.0521
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48000 7.4863157 2000 5028.2274
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49000 7.8214974 2000 4896.102
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50000 8.1600826 2000 4723.5189
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51000 8.4984004 2000 4583.7526
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52000 8.8500924 2000 4447.0187
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53000 9.2046999 2000 4303.2307
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54000 9.5724785 2000 4168.5251
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55000 9.9479954 2000 4036.9704
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56000 10.324666 2000 3901.1183
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57000 10.708944 2000 3716.7071
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58000 11.108887 2000 3473.5422
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59000 11.515057 2000 3245.1223
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60000 11.922119 2000 3039.7845
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61000 12.331146 2000 2780.0187
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62000 12.745147 2000 2577.3345
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63000 13.169644 2000 2346.2488
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64000 13.602869 2000 2116.7298
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65000 14.044828 2000 1903.7828
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66000 14.49159 2000 1631.1676
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67000 14.953127 2000 1431.0198
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68000 15.428874 2000 1212.875
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69000 15.981012 2000 995.45046
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70000 16.458356 2000 811.54766
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71000 16.936094 2000 624.08622
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72000 17.432306 2000 471.00862
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73000 17.949423 2000 358.33486
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74000 18.467878 2000 284.39416
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75000 18.970599 2000 234.26671
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76000 19.45957 2000 185.61836
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77000 19.959792 2000 152.95918
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78000 20.455734 2000 122.49023
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79000 20.93849 2000 102.29396
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80000 21.430632 2000 86.284684
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81000 21.925932 2000 73.984781
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82000 22.428573 2000 63.042918
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83000 22.945552 2000 53.338428
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84000 23.467102 2000 45.89585
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85000 23.992243 2000 40.412826
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86000 24.512956 2000 34.183381
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87000 25.037944 2000 29.671524
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88000 25.56622 2000 26.90414
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89000 26.102251 2000 24.362631
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90000 26.638165 2000 21.887341
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91000 27.17863 2000 19.985662
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92000 27.72662 2000 18.728162
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93000 28.276842 2000 16.99941
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94000 28.830281 2000 15.71941
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95000 29.389744 2000 14.744057
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96000 29.972451 2000 14.214918
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97000 30.575245 2000 13.450182
|
|
98000 31.141552 2000 12.79222
|
|
99000 31.711177 2000 12.10595
|
|
100000 32.286609 2000 11.281863
|
|
101000 32.879692 2000 10.025419
|
|
102000 33.460265 2000 9.9574468
|
|
103000 34.040002 2000 9.4078117
|
|
104000 34.619096 2000 8.9079161
|
|
105000 35.199384 2000 8.6269302
|
|
106000 35.784782 2000 8.5512649
|
|
107000 36.37489 2000 8.4703948
|
|
108000 36.963891 2000 8.2747542
|
|
109000 37.551549 2000 8.2895118
|
|
110000 38.154561 2000 8.1785613
|
|
111000 38.749306 2000 7.8443234
|
|
112000 39.344241 2000 7.7436124
|
|
113000 39.938878 2000 7.8118604
|
|
114000 40.531935 2000 7.3806177
|
|
115000 41.130022 2000 7.0857235
|
|
116000 41.726772 2000 7.1346752
|
|
117000 42.322611 2000 7.0653751
|
|
118000 42.927287 2000 6.6314104
|
|
119000 43.524125 2000 6.2169614
|
|
120000 44.127912 2000 5.8988829
|
|
121000 44.724988 2000 5.4197277
|
|
122000 45.328051 2000 4.6381303
|
|
123000 45.93285 2000 4.4949206
|
|
124000 46.54149 2000 4.4261118
|
|
125000 47.301723 2000 4.4223703
|
|
126000 48.071689 2000 4.4858898
|
|
127000 48.834286 2000 4.3312536
|
|
128000 49.448737 2000 3.7124973
|
|
129000 50.169622 2000 3.5467396
|
|
130000 50.867494 2000 3.5104139
|
|
131000 51.585563 2000 3.5725612
|
|
132000 52.240372 2000 3.669455
|
|
133000 52.892134 2000 3.6168912
|
|
134000 53.50594 2000 3.3598517
|
|
135000 54.114565 2000 3.3743407
|
|
136000 54.725082 2000 3.1109764
|
|
137000 55.358218 2000 3.0720146
|
|
138000 55.977314 2000 3.1303776
|
|
139000 56.589791 2000 3.2052806
|
|
140000 57.212518 2000 2.8958882
|
|
141000 57.867102 2000 2.9931572
|
|
142000 58.690342 2000 3.0967832
|
|
143000 59.418639 2000 3.0576365
|
|
144000 60.035852 2000 3.2016943
|
|
145000 60.666569 2000 3.3817709
|
|
146000 61.368878 2000 3.4527239
|
|
147000 62.159309 2000 3.5928733
|
|
148000 62.879677 2000 3.7784682
|
|
149000 63.50784 2000 3.6587944
|
|
150000 64.129366 2000 3.7945669
|
|
151000 64.74324 2000 3.5551557
|
|
152000 65.360802 2000 3.6248848
|
|
153000 65.979475 2000 3.7361463
|
|
154000 66.593554 2000 3.8534319
|
|
155000 67.30899 2000 4.0101408
|
|
156000 68.295637 2000 3.7670652
|
|
157000 69.257704 2000 3.1487676
|
|
158000 70.085566 2000 2.980076
|
|
159000 70.914218 2000 3.0350592
|
|
160000 71.734553 2000 3.125389
|
|
161000 72.423913 2000 2.7516115
|
|
162000 73.264994 2000 2.413911
|
|
163000 74.126424 2000 2.297713
|
|
164000 75.050891 2000 2.3190806
|
|
165000 75.917063 2000 2.2868879
|
|
166000 76.783267 2000 2.1658547
|
|
167000 77.516683 2000 1.7511071
|
|
168000 78.319102 2000 1.4112478
|
|
169000 78.961239 2000 1.3623558
|
|
170000 79.578448 2000 1.3701579
|
|
Loop time of 79.5785 on 1 procs for 150000 steps with 2000 atoms
|
|
|
|
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 40.78 | 40.78 | 40.78 | 0.0 | 51.25
|
|
Neigh | 0.6504 | 0.6504 | 0.6504 | 0.0 | 0.82
|
|
Comm | 0.090848 | 0.090848 | 0.090848 | 0.0 | 0.11
|
|
Output | 0.0059597 | 0.0059597 | 0.0059597 | 0.0 | 0.01
|
|
Modify | 36.939 | 36.939 | 36.939 | 0.0 | 46.42
|
|
Other | | 1.112 | | | 1.40
|
|
|
|
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: 15308 ave 15308 max 15308 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 15308
|
|
Ave neighs/atom = 7.654
|
|
Neighbor list builds = 367
|
|
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
|
|
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
|
|
Per MPI rank memory allocation (min/avg/max) = 12.69 | 12.69 | 12.69 Mbytes
|
|
Step CPU Atoms KinEng
|
|
170000 0 2000 1.3701579
|
|
171000 0.71457906 2000 2.3724823
|
|
172000 1.4067557 2000 3.5881441
|
|
173000 2.0500352 2000 5.3771633
|
|
174000 2.8020081 2000 7.5896471
|
|
175000 3.467807 2000 10.77251
|
|
176000 4.064748 2000 14.806868
|
|
177000 4.6769962 2000 19.607624
|
|
178000 5.26259 2000 25.426227
|
|
179000 5.8424937 2000 32.23584
|
|
180000 6.4222206 2000 39.930468
|
|
181000 6.9910375 2000 47.686304
|
|
182000 7.5601562 2000 56.506806
|
|
183000 8.1243537 2000 66.514326
|
|
184000 8.6871123 2000 77.554644
|
|
185000 9.3749051 2000 89.224002
|
|
186000 10.008412 2000 102.07846
|
|
187000 10.668269 2000 116.08141
|
|
188000 11.26663 2000 130.97964
|
|
189000 11.874542 2000 146.77806
|
|
190000 12.436262 2000 162.79858
|
|
191000 12.973297 2000 179.02052
|
|
192000 13.532286 2000 196.26683
|
|
193000 14.056018 2000 214.38928
|
|
194000 14.593726 2000 232.32068
|
|
195000 15.115478 2000 251.74644
|
|
196000 15.637308 2000 272.25231
|
|
197000 16.159144 2000 294.64075
|
|
198000 16.676958 2000 318.32895
|
|
199000 17.186114 2000 342.44005
|
|
200000 17.706244 2000 368.35469
|
|
201000 18.221731 2000 395.2465
|
|
202000 18.739505 2000 422.63599
|
|
203000 19.259645 2000 450.45248
|
|
204000 19.769875 2000 479.60812
|
|
205000 20.293972 2000 510.44155
|
|
206000 20.806658 2000 543.25751
|
|
207000 21.348998 2000 577.35928
|
|
208000 21.888691 2000 612.29718
|
|
209000 22.421596 2000 647.8951
|
|
210000 22.922782 2000 683.79409
|
|
211000 23.473165 2000 720.36556
|
|
212000 24.008952 2000 759.27331
|
|
213000 24.56155 2000 798.27302
|
|
214000 25.062386 2000 837.93849
|
|
215000 25.563743 2000 877.92945
|
|
216000 26.066188 2000 919.62532
|
|
217000 26.584605 2000 962.83509
|
|
218000 27.15076 2000 1008.5243
|
|
219000 27.651387 2000 1054.5769
|
|
220000 28.146147 2000 1103.1843
|
|
221000 28.644239 2000 1153.0349
|
|
222000 29.141899 2000 1204.5599
|
|
223000 29.636644 2000 1257.1367
|
|
224000 30.13786 2000 1308.6735
|
|
WARNING: Lost atoms: original 2000 current 1999 (src/thermo.cpp:487)
|
|
225000 30.638093 1999 1360.1205
|
|
226000 31.127956 1998 1404.8405
|
|
227000 31.620394 1996 1448.4869
|
|
228000 32.108597 1992 1491.8112
|
|
229000 32.592048 1985 1518.7013
|
|
230000 33.067462 1971 1507.6699
|
|
231000 33.552874 1965 1533.5096
|
|
232000 34.037763 1948 1489.4128
|
|
233000 34.531058 1933 1477.4536
|
|
234000 35.01451 1915 1425.8398
|
|
235000 35.495081 1904 1410.1451
|
|
236000 35.963357 1892 1401.7595
|
|
237000 36.428382 1880 1368.893
|
|
238000 36.890459 1868 1341.8885
|
|
239000 37.358838 1850 1286.7968
|
|
240000 37.828549 1833 1219.5123
|
|
241000 38.29428 1820 1173.3608
|
|
242000 38.750021 1806 1106.0727
|
|
243000 39.206425 1788 1035.912
|
|
244000 39.690492 1779 1021.6147
|
|
245000 40.138287 1767 969.40032
|
|
246000 40.582591 1757 939.12022
|
|
247000 41.02378 1739 840.9396
|
|
248000 41.472154 1730 822.06575
|
|
249000 41.916625 1719 762.11057
|
|
250000 42.365019 1707 708.50308
|
|
251000 42.804617 1700 692.12647
|
|
252000 43.257666 1697 694.5812
|
|
253000 43.777656 1686 652.36951
|
|
254000 44.244131 1682 662.95256
|
|
255000 44.667759 1677 637.34619
|
|
256000 45.111967 1672 630.71277
|
|
257000 45.550194 1669 641.87365
|
|
258000 45.985106 1665 635.862
|
|
259000 46.42582 1664 658.5339
|
|
260000 46.860965 1662 669.95468
|
|
261000 47.298309 1660 676.93495
|
|
262000 47.748236 1657 681.72646
|
|
263000 48.215018 1655 687.4078
|
|
264000 48.657973 1651 681.61352
|
|
265000 49.076584 1647 673.20622
|
|
266000 49.497823 1644 677.30073
|
|
267000 49.917789 1641 671.05897
|
|
268000 50.347112 1639 689.55776
|
|
269000 50.778062 1637 711.98809
|
|
270000 51.226034 1633 705.29974
|
|
Loop time of 51.2261 on 1 procs for 100000 steps with 1633 atoms
|
|
|
|
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 27.462 | 27.462 | 27.462 | 0.0 | 53.61
|
|
Neigh | 0.47887 | 0.47887 | 0.47887 | 0.0 | 0.93
|
|
Comm | 0.058496 | 0.058496 | 0.058496 | 0.0 | 0.11
|
|
Output | 0.0039167 | 0.0039167 | 0.0039167 | 0.0 | 0.01
|
|
Modify | 22.566 | 22.566 | 22.566 | 0.0 | 44.05
|
|
Other | | 0.6567 | | | 1.28
|
|
|
|
Nlocal: 1633 ave 1633 max 1633 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: 11358 ave 11358 max 11358 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 11358
|
|
Ave neighs/atom = 6.955297
|
|
Neighbor list builds = 244
|
|
Dangerous builds = 0
|
|
Total wall time: 0:02:15
|