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 4 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) = 6.049 | 6.049 | 6.049 Mbytes
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Step CPU Atoms KinEng
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0 0 0 -0
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1000 0.55467905 2000 -0
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2000 0.77825615 2000 -0
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3000 0.99338813 2000 -0
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4000 1.2048904 2000 -0
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5000 1.4073987 2000 -0
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6000 1.6070452 2000 -0
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7000 1.8056594 2000 -0
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8000 1.9907326 2000 -0
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9000 2.1732359 2000 -0
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10000 2.3525506 2000 -0
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11000 2.4202338 2000 -0
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12000 2.4883928 2000 -0
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13000 2.5587335 2000 -0
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14000 2.6327822 2000 -0
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15000 2.7095893 2000 -0
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16000 2.7909032 2000 -0
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17000 2.8763781 2000 -0
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18000 2.9671807 2000 -0
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19000 3.05783 2000 -0
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20000 3.1546642 2000 -0
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Loop time of 3.1547 on 4 procs for 20000 steps with 2000 atoms
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98.6% CPU use with 4 MPI tasks x 1 OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0.045592 | 0.12271 | 0.29398 | 28.5 | 3.89
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Neigh | 0.011353 | 0.019401 | 0.032667 | 5.7 | 0.61
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Comm | 0.043342 | 0.09899 | 0.1539 | 14.6 | 3.14
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Output | 0.00097884 | 0.0019761 | 0.0024333 | 1.3 | 0.06
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Modify | 0.8096 | 1.2822 | 2.26 | 50.7 | 40.65
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Other | | 1.629 | | | 51.65
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Nlocal: 500 ave 510 max 493 min
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Histogram: 1 1 0 0 0 1 0 0 0 1
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Nghost: 154 ave 227 max 79 min
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Histogram: 1 0 0 0 1 0 1 0 0 1
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Neighs: 415.5 ave 610 max 258 min
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Histogram: 1 1 0 0 0 0 1 0 0 1
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Total # of neighbors = 1662
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Ave neighs/atom = 0.831
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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) = 12.33 | 12.5 | 12.68 Mbytes
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Step CPU Atoms KinEng
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20000 0 2000 6652.2957
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21000 0.068149031 2000 6807.2201
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22000 0.13906682 2000 6973.9359
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23000 0.21167896 2000 7142.3648
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24000 0.28828482 2000 7276.9717
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25000 0.36895294 2000 7369.4191
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26000 0.45705665 2000 7497.6526
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27000 0.55283141 2000 7638.946
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28000 0.65163553 2000 7780.0339
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29000 0.75208427 2000 7881.8177
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30000 0.85956458 2000 7967.2641
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31000 0.94177635 2000 7994.9273
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32000 1.0345834 2000 7937.0672
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33000 1.1315152 2000 7774.0508
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34000 1.2426423 2000 7591.1511
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35000 1.3578344 2000 7357.5032
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36000 1.4893311 2000 7147.3776
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37000 1.6240315 2000 6980.0719
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38000 1.7664339 2000 6813.0872
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39000 1.91857 2000 6657.0694
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40000 2.0835393 2000 6505.1356
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41000 2.2038908 2000 6330.3106
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42000 2.330345 2000 6148.0635
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43000 2.4596185 2000 5933.4808
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44000 2.5912876 2000 5759.5507
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45000 2.7316375 2000 5510.4729
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46000 2.8777238 2000 5332.8673
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47000 3.0357893 2000 5164.4197
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48000 3.1931582 2000 5027.4099
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49000 3.341993 2000 4904.6999
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50000 3.4914327 2000 4712.0967
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51000 3.6880787 2000 4575.8693
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52000 3.8868278 2000 4443.4894
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53000 4.0538325 2000 4272.1666
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54000 4.2275386 2000 4113.2811
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55000 4.3935565 2000 3974.5981
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56000 4.6008319 2000 3863.5272
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57000 4.8305792 2000 3676.8918
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58000 5.1085757 2000 3446.5177
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59000 5.3025239 2000 3227.8857
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60000 5.5061134 2000 2997.8151
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61000 5.6771065 2000 2745.5998
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62000 5.8533046 2000 2530.2536
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63000 6.0266287 2000 2352.9283
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64000 6.1975348 2000 2102.4916
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65000 6.375875 2000 1906.3034
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66000 6.6008814 2000 1683.179
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67000 6.8728018 2000 1440.0663
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68000 7.1104699 2000 1220.2743
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69000 7.3660591 2000 1012.4596
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70000 7.6208232 2000 796.99913
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71000 7.8459169 2000 631.28788
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72000 8.0433916 2000 459.93641
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73000 8.2225178 2000 359.28959
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74000 8.3982201 2000 286.19292
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75000 8.5769976 2000 235.53259
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76000 8.7541865 2000 187.55737
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77000 9.0010462 2000 144.42323
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78000 9.2721615 2000 116.12613
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79000 9.4992863 2000 95.625301
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80000 9.7368141 2000 82.645629
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81000 9.9462546 2000 72.124657
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82000 10.15281 2000 64.266704
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83000 10.365519 2000 56.7285
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84000 10.55069 2000 49.44393
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85000 10.764107 2000 42.434733
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86000 10.993211 2000 37.816266
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87000 11.243268 2000 33.892006
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88000 11.487204 2000 29.898596
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89000 11.684173 2000 26.4401
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90000 11.880908 2000 23.329056
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91000 12.078366 2000 21.291141
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92000 12.347446 2000 19.494401
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93000 12.582632 2000 18.157646
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94000 12.833491 2000 17.176709
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95000 13.109452 2000 16.059418
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96000 13.34541 2000 15.524934
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97000 13.604566 2000 13.887097
|
|
98000 13.816696 2000 12.98846
|
|
99000 14.043128 2000 12.325347
|
|
100000 14.35998 2000 11.567779
|
|
101000 14.584033 2000 11.097346
|
|
102000 14.793606 2000 10.981696
|
|
103000 15.011832 2000 10.914661
|
|
104000 15.223053 2000 10.183009
|
|
105000 15.435892 2000 9.9825606
|
|
106000 15.651946 2000 9.5164341
|
|
107000 15.870696 2000 9.4270389
|
|
108000 16.237826 2000 9.2752131
|
|
109000 16.525601 2000 8.580319
|
|
110000 16.74452 2000 8.3138082
|
|
111000 16.991527 2000 7.826454
|
|
112000 17.322972 2000 7.5958866
|
|
113000 17.649386 2000 7.2760339
|
|
114000 17.967676 2000 7.2879075
|
|
115000 18.27941 2000 6.8298855
|
|
116000 18.619507 2000 6.6964815
|
|
117000 18.979092 2000 6.490952
|
|
118000 19.303215 2000 6.0204595
|
|
119000 19.683409 2000 5.9293145
|
|
120000 20.034873 2000 5.7244854
|
|
121000 20.329374 2000 5.4221021
|
|
122000 20.670529 2000 4.8227757
|
|
123000 20.970073 2000 4.7914829
|
|
124000 21.297132 2000 4.6895984
|
|
125000 21.524346 2000 4.4951309
|
|
126000 21.742931 2000 4.5186107
|
|
127000 21.983039 2000 4.5989696
|
|
128000 22.203881 2000 4.5578225
|
|
129000 22.428553 2000 4.2667783
|
|
130000 22.662049 2000 4.0855202
|
|
131000 22.893977 2000 4.129346
|
|
132000 23.134398 2000 4.1720282
|
|
133000 23.367561 2000 4.3178701
|
|
134000 23.614361 2000 4.1047803
|
|
135000 23.840139 2000 3.856834
|
|
136000 24.095293 2000 4.0099605
|
|
137000 24.320746 2000 4.1104868
|
|
138000 24.555868 2000 4.1538456
|
|
139000 24.798604 2000 4.3079797
|
|
140000 25.125474 2000 4.0655486
|
|
141000 25.360498 2000 4.1257388
|
|
142000 25.597535 2000 4.1180413
|
|
143000 25.824173 2000 4.2764691
|
|
144000 26.082826 2000 4.3992832
|
|
145000 26.307002 2000 4.0978942
|
|
146000 26.532413 2000 4.1776805
|
|
147000 26.759469 2000 4.2261665
|
|
148000 26.989405 2000 4.4049886
|
|
149000 27.215826 2000 4.5559941
|
|
150000 27.443235 2000 4.7449947
|
|
151000 27.670397 2000 4.962558
|
|
152000 27.901368 2000 4.8517188
|
|
153000 28.148201 2000 4.9263912
|
|
154000 28.379071 2000 4.6200149
|
|
155000 28.621063 2000 4.8289752
|
|
156000 28.870192 2000 5.043235
|
|
157000 29.105614 2000 5.2399981
|
|
158000 29.330537 2000 5.494424
|
|
159000 29.558095 2000 4.9215021
|
|
160000 29.785841 2000 4.8938104
|
|
161000 30.011182 2000 5.0832139
|
|
162000 30.23825 2000 5.2281894
|
|
163000 30.464829 2000 5.4710487
|
|
164000 30.719854 2000 5.7311326
|
|
165000 31.038065 2000 5.9048483
|
|
166000 31.340672 2000 6.1177544
|
|
167000 31.649901 2000 4.0749212
|
|
168000 31.928746 2000 4.0087545
|
|
169000 32.153717 2000 2.8333927
|
|
170000 32.380796 2000 2.6131424
|
|
Loop time of 32.3808 on 4 procs for 150000 steps with 2000 atoms
|
|
|
|
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 | 6.997 | 12.251 | 14.992 | 89.3 | 37.83
|
|
Neigh | 0.1358 | 0.20191 | 0.24331 | 9.0 | 0.62
|
|
Comm | 1.2102 | 2.0432 | 2.4992 | 36.1 | 6.31
|
|
Output | 0.0079578 | 0.012222 | 0.020149 | 4.4 | 0.04
|
|
Modify | 7.1333 | 9.974 | 12.03 | 56.2 | 30.80
|
|
Other | | 7.899 | | | 24.39
|
|
|
|
Nlocal: 500 ave 547 max 414 min
|
|
Histogram: 1 0 0 0 0 0 1 0 0 2
|
|
Nghost: 447.5 ave 678 max 201 min
|
|
Histogram: 1 0 0 0 1 0 1 0 0 1
|
|
Neighs: 4478.75 ave 5715 max 3358 min
|
|
Histogram: 1 0 0 1 0 0 1 0 0 1
|
|
|
|
Total # of neighbors = 17915
|
|
Ave neighs/atom = 8.9575
|
|
Neighbor list builds = 375
|
|
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) = 12.34 | 12.53 | 12.68 Mbytes
|
|
Step CPU Atoms KinEng
|
|
170000 0 2000 2.6131424
|
|
171000 0.22601136 2000 3.529459
|
|
172000 0.45221016 2000 4.7071494
|
|
173000 0.68427839 2000 6.3480095
|
|
174000 0.91114205 2000 8.8055429
|
|
175000 1.1431874 2000 12.020148
|
|
176000 1.3732197 2000 16.079961
|
|
177000 1.6051751 2000 20.911155
|
|
178000 1.8346523 2000 26.447901
|
|
179000 2.0762403 2000 32.277607
|
|
180000 2.3420473 2000 39.374754
|
|
181000 2.6328957 2000 46.824434
|
|
182000 2.8669203 2000 54.755937
|
|
183000 3.1047916 2000 63.957816
|
|
184000 3.3310346 2000 74.217343
|
|
185000 3.5685015 2000 85.472859
|
|
186000 3.7955114 2000 97.586962
|
|
187000 4.0326183 2000 110.39658
|
|
188000 4.267244 2000 123.54524
|
|
189000 4.4987867 2000 137.45798
|
|
190000 4.7358838 2000 151.81094
|
|
191000 4.9494874 2000 166.91945
|
|
192000 5.1552044 2000 182.93379
|
|
193000 5.3547002 2000 200.32195
|
|
194000 5.5590208 2000 218.31863
|
|
195000 5.7575332 2000 237.22122
|
|
196000 5.9520759 2000 255.12936
|
|
197000 6.1457469 2000 273.87347
|
|
198000 6.341216 2000 293.82126
|
|
199000 6.5397944 2000 315.13067
|
|
200000 6.7418645 2000 337.18517
|
|
201000 6.9368245 2000 359.48438
|
|
202000 7.1538903 2000 382.76229
|
|
203000 7.3864641 2000 408.60338
|
|
204000 7.6731476 2000 435.15421
|
|
205000 7.9053649 2000 462.53542
|
|
206000 8.1480905 2000 490.85791
|
|
207000 8.3856692 2000 519.80878
|
|
208000 8.6034715 2000 550.44978
|
|
209000 8.8046602 2000 581.78594
|
|
210000 9.0044136 2000 615.02491
|
|
211000 9.2216638 2000 649.34564
|
|
212000 9.4269046 2000 684.24357
|
|
213000 9.6587854 2000 720.72627
|
|
214000 9.8596293 2000 757.96901
|
|
215000 10.05877 2000 796.8493
|
|
216000 10.256066 2000 836.58839
|
|
217000 10.48718 2000 877.81823
|
|
218000 10.694787 2000 920.81077
|
|
219000 10.891455 2000 963.77552
|
|
220000 11.147269 2000 1007.6868
|
|
221000 11.400829 2000 1054.0654
|
|
222000 11.65238 2000 1102.4934
|
|
223000 11.846807 2000 1151.1348
|
|
224000 12.040148 2000 1200.6622
|
|
225000 12.229259 2000 1251.5126
|
|
WARNING: Lost atoms: original 2000 current 1999 (src/thermo.cpp:487)
|
|
226000 12.420863 1999 1299.6349
|
|
227000 12.635492 1997 1338.1126
|
|
228000 12.827738 1987 1354.6661
|
|
229000 13.016127 1980 1369.1412
|
|
230000 13.211511 1970 1369.1776
|
|
231000 13.404909 1963 1377.7863
|
|
232000 13.602332 1950 1362.1028
|
|
233000 13.796103 1938 1344.4535
|
|
234000 13.988442 1924 1318.1397
|
|
235000 14.185813 1907 1269.3181
|
|
236000 14.378388 1895 1242.269
|
|
237000 14.568867 1881 1188.0729
|
|
238000 14.75676 1868 1162.8778
|
|
239000 14.947894 1854 1111.9974
|
|
240000 15.160004 1840 1050.2813
|
|
241000 15.340495 1831 1024.5782
|
|
242000 15.523597 1816 980.07203
|
|
243000 15.725193 1807 973.84606
|
|
244000 15.902549 1796 936.95947
|
|
245000 16.081382 1790 916.53685
|
|
246000 16.261081 1780 893.82891
|
|
247000 16.451727 1770 853.09944
|
|
248000 16.628641 1755 804.73429
|
|
249000 16.804105 1749 773.19378
|
|
250000 16.978354 1738 734.78084
|
|
251000 17.152527 1725 668.92528
|
|
252000 17.328291 1717 651.36038
|
|
253000 17.512786 1706 595.48412
|
|
254000 17.695931 1699 564.79829
|
|
255000 17.874221 1695 558.19897
|
|
256000 18.050516 1693 568.02459
|
|
257000 18.228697 1692 584.97166
|
|
258000 18.400925 1689 574.19701
|
|
259000 18.576449 1687 583.36332
|
|
260000 18.754006 1684 577.56927
|
|
261000 18.946091 1681 582.0375
|
|
262000 19.182957 1679 583.29644
|
|
263000 19.394795 1676 575.09831
|
|
264000 19.604668 1673 575.78272
|
|
265000 19.81517 1672 595.66572
|
|
266000 20.046658 1670 610.84262
|
|
267000 20.332684 1665 588.36505
|
|
268000 20.573691 1662 593.44831
|
|
269000 20.800574 1660 600.31964
|
|
270000 21.058624 1656 588.46212
|
|
Loop time of 21.0587 on 4 procs for 100000 steps with 1656 atoms
|
|
|
|
99.0% CPU use with 4 MPI tasks x 1 OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 3.8632 | 8.4037 | 11.541 | 97.3 | 39.91
|
|
Neigh | 0.13431 | 0.15665 | 0.17248 | 3.8 | 0.74
|
|
Comm | 0.70516 | 1.4552 | 1.9637 | 40.7 | 6.91
|
|
Output | 0.0030904 | 0.0079543 | 0.016722 | 5.9 | 0.04
|
|
Modify | 5.3661 | 6.1781 | 6.8249 | 22.0 | 29.34
|
|
Other | | 4.857 | | | 23.06
|
|
|
|
Nlocal: 414 ave 426 max 385 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 3
|
|
Nghost: 408 ave 634 max 183 min
|
|
Histogram: 1 0 0 1 0 0 1 0 0 1
|
|
Neighs: 3463 ave 4360 max 2354 min
|
|
Histogram: 1 0 0 1 0 0 0 0 1 1
|
|
|
|
Total # of neighbors = 13852
|
|
Ave neighs/atom = 8.3647343
|
|
Neighbor list builds = 255
|
|
Dangerous builds = 0
|
|
Total wall time: 0:00:56
|