forked from lijiext/lammps
602 lines
26 KiB
Groff
602 lines
26 KiB
Groff
LAMMPS (27 Nov 2018)
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OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
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using 1 OpenMP thread(s) per MPI task
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# 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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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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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/bin/newtoff
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stencil: half/bin/3d/newtoff
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bin: standard
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fix bal all balance 10000 1.1 shift xyz 20 1.01
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####################### Options specific to pouring #########################
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# 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:705)
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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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Per MPI rank memory allocation (min/avg/max) = 6.649 | 6.649 | 6.649 Mbytes
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Step CPU Atoms KinEng
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0 0 0 -0
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1000 0.63593698 2000 -0
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2000 1.0282419 2000 -0
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3000 1.4184453 2000 -0
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4000 1.8055785 2000 -0
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5000 2.1941335 2000 -0
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6000 2.5804653 2000 -0
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7000 2.9660621 2000 -0
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8000 3.3506265 2000 -0
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9000 3.7344413 2000 -0
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10000 4.1212304 2000 -0
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11000 4.5044594 2000 -0
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12000 4.8875456 2000 -0
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13000 5.2698007 2000 -0
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14000 5.6527214 2000 -0
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15000 6.0349295 2000 -0
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16000 6.4172938 2000 -0
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17000 6.8001184 2000 -0
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18000 7.1826644 2000 -0
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19000 7.5654378 2000 -0
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20000 7.9511659 2000 -0
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Loop time of 7.95118 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 | 0.6189 | 0.6189 | 0.6189 | 0.0 | 7.78
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Neigh | 0.09361 | 0.09361 | 0.09361 | 0.0 | 1.18
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Comm | 0.016098 | 0.016098 | 0.016098 | 0.0 | 0.20
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Output | 0.00048828 | 0.00048828 | 0.00048828 | 0.0 | 0.01
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Modify | 6.9973 | 6.9973 | 6.9973 | 0.0 | 88.00
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Other | | 0.2248 | | | 2.83
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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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Per MPI rank memory allocation (min/avg/max) = 12.77 | 12.77 | 12.77 Mbytes
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Step CPU Atoms KinEng
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20000 0 2000 6443.7665
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21000 0.3826313 2000 6572.3531
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22000 0.76688981 2000 6723.8376
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23000 1.1534231 2000 6853.1812
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24000 1.5391715 2000 6976.0209
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25000 1.9263508 2000 7096.9955
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26000 2.3168406 2000 7215.5795
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27000 2.7065961 2000 7349.2382
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28000 3.096664 2000 7471.8719
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29000 3.4905531 2000 7574.8228
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30000 3.8877606 2000 7659.3836
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31000 4.2839894 2000 7703.6856
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32000 4.6859732 2000 7644.279
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33000 5.0932801 2000 7526.6944
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34000 5.5045564 2000 7370.0821
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35000 5.9206297 2000 7193.0457
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36000 6.343729 2000 6990.9899
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37000 6.7719142 2000 6849.2841
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38000 7.2016783 2000 6701.7433
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39000 7.6354482 2000 6538.9557
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40000 8.078445 2000 6381.9346
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41000 8.5191586 2000 6217.5253
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42000 8.9630713 2000 6093.5344
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43000 9.4097741 2000 5943.0479
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44000 9.8652256 2000 5841.0782
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45000 10.331057 2000 5652.8319
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46000 10.803253 2000 5476.1466
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47000 11.278766 2000 5267.7855
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48000 11.759121 2000 5131.4036
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49000 12.248896 2000 4972.7696
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50000 12.747719 2000 4867.0868
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51000 13.246704 2000 4681.897
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52000 13.757842 2000 4506.8185
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53000 14.276078 2000 4346.8045
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54000 14.795933 2000 4193.8194
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55000 15.311241 2000 4058.2049
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56000 15.828737 2000 3879.0325
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57000 16.359453 2000 3696.3154
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58000 16.905406 2000 3504.0399
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59000 17.460454 2000 3284.6522
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60000 18.027276 2000 3061.0727
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61000 18.586931 2000 2874.2926
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62000 19.158563 2000 2653.0722
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63000 19.738442 2000 2437.4941
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64000 20.331411 2000 2124.1876
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65000 20.936204 2000 1864.5661
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66000 21.547443 2000 1610.2335
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67000 22.166888 2000 1390.0428
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68000 22.789106 2000 1163.7679
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69000 23.416016 2000 933.0928
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70000 24.038879 2000 745.66667
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71000 24.663115 2000 605.58458
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72000 25.294193 2000 444.31183
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73000 25.932019 2000 357.19162
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74000 26.568184 2000 291.16762
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75000 27.203393 2000 230.58362
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76000 27.836079 2000 197.59502
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77000 28.467344 2000 166.55702
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78000 29.099997 2000 139.89052
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79000 29.741694 2000 117.1145
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80000 30.388097 2000 100.12353
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81000 31.036193 2000 85.233155
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82000 31.688463 2000 71.145302
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83000 32.343411 2000 61.545348
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84000 32.999346 2000 54.099358
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85000 33.652976 2000 46.922028
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86000 34.306931 2000 41.606645
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87000 34.967787 2000 37.462793
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88000 35.633721 2000 33.698298
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89000 36.310035 2000 29.340455
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90000 36.995441 2000 26.072122
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91000 37.67904 2000 23.20848
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92000 38.367699 2000 21.015862
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93000 39.058641 2000 20.134175
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94000 39.749342 2000 19.196075
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95000 40.442651 2000 18.285127
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96000 41.140177 2000 17.476411
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97000 41.840761 2000 16.55882
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98000 42.543845 2000 15.444541
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99000 43.256415 2000 14.41642
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100000 43.97382 2000 13.818738
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101000 44.684596 2000 12.878373
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102000 45.401082 2000 12.11804
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103000 46.120936 2000 11.016885
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104000 46.83935 2000 10.531044
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105000 47.559419 2000 10.46735
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106000 48.286016 2000 10.246007
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107000 49.012266 2000 9.6423041
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108000 49.74013 2000 9.3948808
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109000 50.471961 2000 9.5178141
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110000 51.206152 2000 9.4143884
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111000 51.939123 2000 9.5058226
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112000 52.673443 2000 9.6911516
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113000 53.410485 2000 9.7756849
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114000 54.152537 2000 9.3876232
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115000 54.891784 2000 8.6725333
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116000 55.631474 2000 8.6691065
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117000 56.371762 2000 8.0156055
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118000 57.110131 2000 7.9150786
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119000 57.8533 2000 7.5310892
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120000 58.599064 2000 7.2940498
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121000 59.340753 2000 6.8347898
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122000 60.084676 2000 6.696484
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123000 60.826952 2000 6.7799146
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124000 61.569413 2000 6.7901567
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125000 62.316334 2000 6.7532108
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126000 63.061374 2000 6.762162
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127000 63.806385 2000 6.6317366
|
|
128000 64.555969 2000 6.8246399
|
|
129000 65.308131 2000 6.9130358
|
|
130000 66.060967 2000 7.1750566
|
|
131000 66.809725 2000 6.9507379
|
|
132000 67.559796 2000 6.7987445
|
|
133000 68.314249 2000 6.8535775
|
|
134000 69.065513 2000 7.0255144
|
|
135000 69.817604 2000 6.7381064
|
|
136000 70.572079 2000 6.5567748
|
|
137000 71.324444 2000 6.2655395
|
|
138000 72.079147 2000 6.1923013
|
|
139000 72.831323 2000 6.0958081
|
|
140000 73.59117 2000 5.9185709
|
|
141000 74.343753 2000 5.9151241
|
|
142000 75.096509 2000 5.4743035
|
|
143000 75.852151 2000 5.438642
|
|
144000 76.605005 2000 4.6646664
|
|
145000 77.357571 2000 4.6899837
|
|
146000 78.113125 2000 4.5357917
|
|
147000 78.867751 2000 4.5993842
|
|
148000 79.625344 2000 4.7076884
|
|
149000 80.37992 2000 4.8306642
|
|
150000 81.143175 2000 4.8282147
|
|
151000 81.899326 2000 4.546308
|
|
152000 82.658645 2000 4.6700755
|
|
153000 83.41837 2000 4.7557633
|
|
154000 84.17509 2000 4.9004538
|
|
155000 84.934161 2000 5.0552949
|
|
156000 85.695466 2000 4.0672495
|
|
157000 86.453115 2000 3.5819543
|
|
158000 87.212663 2000 3.3533477
|
|
159000 87.967768 2000 3.3281001
|
|
160000 88.729631 2000 3.0831743
|
|
161000 89.498983 2000 3.0519269
|
|
162000 90.259424 2000 3.0951675
|
|
163000 91.019656 2000 2.9868352
|
|
164000 91.776359 2000 2.9195788
|
|
165000 92.536374 2000 2.5637813
|
|
166000 93.296332 2000 2.5553272
|
|
167000 94.05653 2000 2.0752912
|
|
168000 94.814559 2000 1.9689845
|
|
169000 95.576005 2000 1.9117916
|
|
170000 96.337863 2000 1.8568914
|
|
Loop time of 96.3379 on 1 procs for 150000 steps with 2000 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 | 37.121 | 37.121 | 37.121 | 0.0 | 38.53
|
|
Neigh | 0.8454 | 0.8454 | 0.8454 | 0.0 | 0.88
|
|
Comm | 0.11506 | 0.11506 | 0.11506 | 0.0 | 0.12
|
|
Output | 0.004431 | 0.004431 | 0.004431 | 0.0 | 0.00
|
|
Modify | 56.517 | 56.517 | 56.517 | 0.0 | 58.67
|
|
Other | | 1.735 | | | 1.80
|
|
|
|
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: 15524 ave 15524 max 15524 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 15524
|
|
Ave neighs/atom = 7.762
|
|
Neighbor list builds = 388
|
|
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
|
|
Per MPI rank memory allocation (min/avg/max) = 18.64 | 18.64 | 18.64 Mbytes
|
|
Step CPU Atoms KinEng
|
|
170000 0 2000 1.8568914
|
|
171000 0.75704765 2000 2.4011583
|
|
172000 1.5101345 2000 3.176628
|
|
173000 2.2556529 2000 4.5364486
|
|
174000 2.9946566 2000 6.5494125
|
|
175000 3.7253478 2000 9.1934319
|
|
176000 4.4570525 2000 12.25765
|
|
177000 5.1876664 2000 15.799657
|
|
178000 5.9178619 2000 19.982558
|
|
179000 6.6439464 2000 24.927165
|
|
180000 7.3749168 2000 30.428362
|
|
181000 8.1011977 2000 36.74232
|
|
182000 8.8207343 2000 43.820448
|
|
183000 9.5397925 2000 50.903222
|
|
184000 10.253098 2000 59.425781
|
|
185000 10.965505 2000 69.143119
|
|
186000 11.673319 2000 79.210705
|
|
187000 12.373966 2000 90.411346
|
|
188000 13.075475 2000 102.35389
|
|
189000 13.770632 2000 114.93888
|
|
190000 14.469445 2000 128.63341
|
|
191000 15.158381 2000 143.44526
|
|
192000 15.846267 2000 159.04574
|
|
193000 16.527754 2000 174.3114
|
|
194000 17.204808 2000 190.42123
|
|
195000 17.881059 2000 207.70459
|
|
196000 18.556555 2000 224.90931
|
|
197000 19.229818 2000 242.64914
|
|
198000 19.905086 2000 261.48312
|
|
199000 20.578518 2000 281.28308
|
|
200000 21.25632 2000 302.95108
|
|
201000 21.921347 2000 325.95534
|
|
202000 22.583873 2000 350.6874
|
|
203000 23.244724 2000 376.31773
|
|
204000 23.904842 2000 404.21947
|
|
205000 24.562788 2000 432.96116
|
|
206000 25.217762 2000 462.4113
|
|
207000 25.875814 2000 491.91207
|
|
208000 26.531285 2000 522.15395
|
|
209000 27.184766 2000 553.1024
|
|
210000 27.842961 2000 585.7133
|
|
211000 28.489339 2000 619.96357
|
|
212000 29.139612 2000 653.96189
|
|
213000 29.783866 2000 689.8027
|
|
214000 30.426881 2000 727.28401
|
|
215000 31.06706 2000 766.40354
|
|
216000 31.706399 2000 805.65433
|
|
217000 32.343033 2000 845.40981
|
|
218000 32.989384 2000 884.24637
|
|
219000 33.633664 2000 923.5998
|
|
220000 34.285172 2000 965.01779
|
|
221000 34.931959 2000 1009.1763
|
|
222000 35.571624 2000 1054.7789
|
|
223000 36.207868 2000 1101.9922
|
|
224000 36.836062 2000 1151.1205
|
|
225000 37.464514 2000 1201.3979
|
|
226000 38.09746 2000 1252.4054
|
|
227000 38.732507 1999 1296.6784
|
|
228000 39.371367 1997 1342.3466
|
|
229000 40.012553 1992 1368.8559
|
|
230000 40.652111 1977 1360.2259
|
|
231000 41.275478 1965 1340.3793
|
|
232000 41.892734 1953 1318.8318
|
|
233000 42.50588 1938 1295.5667
|
|
234000 43.121427 1924 1270.0641
|
|
235000 43.740727 1914 1258.296
|
|
236000 44.359241 1902 1224.3945
|
|
237000 44.979463 1899 1248.3905
|
|
238000 45.597358 1885 1206.9229
|
|
239000 46.210114 1875 1195.5429
|
|
240000 46.818148 1861 1142.6591
|
|
241000 47.411079 1851 1131.5523
|
|
242000 48.002522 1841 1116.8741
|
|
243000 48.594254 1830 1099.9978
|
|
244000 49.191798 1822 1078.6068
|
|
245000 49.791332 1814 1072.1498
|
|
246000 50.389728 1803 1020.7842
|
|
247000 50.984212 1794 1000.1936
|
|
248000 51.571047 1781 942.02462
|
|
249000 52.149428 1772 916.83697
|
|
250000 52.726202 1758 825.10751
|
|
251000 53.29913 1748 789.06351
|
|
252000 53.871912 1739 753.92258
|
|
253000 54.441009 1729 697.83686
|
|
254000 55.010203 1718 648.98541
|
|
255000 55.573602 1710 620.38129
|
|
256000 56.134709 1705 622.43466
|
|
257000 56.701827 1700 595.79102
|
|
258000 57.264463 1698 608.49223
|
|
259000 57.827817 1695 614.0119
|
|
260000 58.398994 1690 601.50438
|
|
261000 58.964611 1687 608.5892
|
|
262000 59.526765 1683 597.07884
|
|
263000 60.082729 1682 618.65041
|
|
264000 60.640105 1678 615.47784
|
|
265000 61.195717 1675 605.27658
|
|
266000 61.751087 1671 583.69853
|
|
267000 62.305546 1669 600.11043
|
|
268000 62.86105 1666 598.79807
|
|
269000 63.417551 1663 588.40338
|
|
270000 63.974486 1660 579.59387
|
|
Loop time of 63.9745 on 1 procs for 100000 steps with 1660 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 | 26.514 | 26.514 | 26.514 | 0.0 | 41.44
|
|
Neigh | 0.60324 | 0.60324 | 0.60324 | 0.0 | 0.94
|
|
Comm | 0.075881 | 0.075881 | 0.075881 | 0.0 | 0.12
|
|
Output | 0.0029137 | 0.0029137 | 0.0029137 | 0.0 | 0.00
|
|
Modify | 35.686 | 35.686 | 35.686 | 0.0 | 55.78
|
|
Other | | 1.092 | | | 1.71
|
|
|
|
Nlocal: 1660 ave 1660 max 1660 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: 11681 ave 11681 max 11681 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 11681
|
|
Ave neighs/atom = 7.03675
|
|
Neighbor list builds = 249
|
|
Dangerous builds = 0
|
|
Total wall time: 0:02:48
|