forked from lijiext/lammps
189 lines
6.5 KiB
Groff
189 lines
6.5 KiB
Groff
LAMMPS (29 Oct 2020)
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using 1 OpenMP thread(s) per MPI task
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# pour two types of particles (cohesive and non-cohesive) on flat wall
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variable name string pour_two_types
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atom_style sphere
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units lj
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###############################################
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# Geometry-related parameters
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###############################################
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variable boxx equal 20
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variable boxy equal 20
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variable boxz equal 30
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variable xc1 equal 0.3*${boxx}
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variable xc1 equal 0.3*20
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variable xc2 equal 0.7*${boxx}
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variable xc2 equal 0.7*20
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variable yc equal 0.5*${boxy}
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variable yc equal 0.5*20
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###############################################
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# Particle-related parameters
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###############################################
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variable rlo equal 0.25
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variable rhi equal 0.5
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variable dlo equal 2.0*${rlo}
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variable dlo equal 2.0*0.25
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variable dhi equal 2.0*${rhi}
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variable dhi equal 2.0*0.5
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variable dens equal 1.0
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variable skin equal 0.3*${rhi}
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variable skin equal 0.3*0.5
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#############
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processors * * 1
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region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz}
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region boxreg block 0 20 0 ${boxy} 0 ${boxz}
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region boxreg block 0 20 0 20 0 ${boxz}
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region boxreg block 0 20 0 20 0 30
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create_box 2 boxreg
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Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (20.000000 20.000000 30.000000)
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2 by 2 by 1 MPI processor grid
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change_box all boundary p p f
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Changing box ...
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pair_style granular
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pair_coeff 1 * jkr 1000.0 50.0 0.3 10 tangential mindlin 800.0 1.0 0.5 rolling sds 500.0 200.0 0.5 twisting marshall
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pair_coeff 2 2 hertz 200.0 20.0 tangential linear_history 300.0 1.0 0.1 rolling sds 200.0 100.0 0.1 twisting marshall
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comm_modify vel yes
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region insreg1 cylinder z ${xc1} ${yc} 5 15 ${boxz}
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region insreg1 cylinder z 6 ${yc} 5 15 ${boxz}
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region insreg1 cylinder z 6 10 5 15 ${boxz}
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region insreg1 cylinder z 6 10 5 15 30
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region insreg2 cylinder z ${xc2} ${yc} 5 15 ${boxz}
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region insreg2 cylinder z 14 ${yc} 5 15 ${boxz}
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region insreg2 cylinder z 14 10 5 15 ${boxz}
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region insreg2 cylinder z 14 10 5 15 30
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fix 1 all nve/sphere
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fix grav all gravity 10.0 vector 0 0 -1
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fix ins1 all pour 1500 1 3123 region insreg1 diam range ${dlo} ${dhi} dens ${dens} ${dens}
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fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 ${dhi} dens ${dens} ${dens}
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fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens ${dens} ${dens}
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fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 ${dens}
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fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 1
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Particle insertion: 562 every 346 steps, 1500 by step 693
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fix ins2 all pour 1500 2 3123 region insreg2 diam range ${dlo} ${dhi} dens ${dens} ${dens}
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fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 ${dhi} dens ${dens} ${dens}
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fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens ${dens} ${dens}
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fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 ${dens}
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fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 1
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Particle insertion: 562 every 346 steps, 1500 by step 693
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neighbor ${skin} bin
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neighbor 0.15 bin
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neigh_modify delay 0 every 1 check yes
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fix 3 all wall/gran granular hertz/material 1e5 1e3 0.3 tangential mindlin NULL 1.0 0.5 zplane 0 NULL
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thermo_style custom step atoms ke
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thermo_modify lost warn
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thermo 100
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timestep 0.001
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#dump 1 all custom 100 ${name}.dump id type radius mass x y z
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run 5000
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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 = 1.15
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ghost atom cutoff = 1.15
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binsize = 0.575, bins = 35 35 53
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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair granular, perpetual
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attributes: half, newton on, size, history
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pair build: half/size/bin/newton
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stencil: half/bin/3d/newton
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bin: standard
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Per MPI rank memory allocation (min/avg/max) = 11.98 | 11.98 | 11.98 Mbytes
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Step Atoms KinEng
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0 0 -0
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100 926 -0
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200 926 -0
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300 926 -0
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400 1498 -0
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500 1498 -0
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600 1498 -0
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700 2275 -0
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800 2275 -0
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900 2275 -0
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1000 2275 -0
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1100 2954 -0
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1200 2954 -0
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1300 2954 -0
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1400 3000 -0
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1500 3000 -0
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1600 3000 -0
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1700 3000 -0
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1800 3000 -0
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1900 3000 -0
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2000 3000 -0
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2100 3000 -0
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2200 3000 -0
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2300 3000 -0
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2400 3000 -0
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2500 3000 -0
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2600 3000 -0
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2700 3000 -0
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2800 3000 -0
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2900 3000 -0
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3000 3000 -0
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3100 3000 -0
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3200 3000 -0
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3300 3000 -0
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3400 3000 -0
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3500 3000 -0
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3600 3000 -0
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3700 3000 -0
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3800 3000 -0
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3900 3000 -0
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4000 3000 -0
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4100 3000 -0
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4200 3000 -0
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4300 3000 -0
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4400 3000 -0
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4500 3000 -0
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4600 3000 -0
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4700 3000 -0
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4800 3000 -0
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4900 3000 -0
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5000 3000 -0
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Loop time of 12.1982 on 4 procs for 5000 steps with 3000 atoms
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Performance: 35414.923 tau/day, 409.895 timesteps/s
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97.0% 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 | 1.7141 | 3.8131 | 6.2143 | 107.3 | 31.26
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Neigh | 0.77648 | 0.96585 | 1.1892 | 18.3 | 7.92
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Comm | 0.7427 | 3.5566 | 5.9731 | 128.4 | 29.16
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Output | 0.0067544 | 0.0086352 | 0.011408 | 1.8 | 0.07
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Modify | 3.3476 | 3.5826 | 3.8235 | 11.5 | 29.37
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Other | | 0.2715 | | | 2.23
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Nlocal: 750.000 ave 1033 max 463 min
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Histogram: 2 0 0 0 0 0 0 0 0 2
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Nghost: 435.000 ave 492 max 378 min
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Histogram: 2 0 0 0 0 0 0 0 0 2
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Neighs: 4434.50 ave 7028 max 1967 min
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Histogram: 2 0 0 0 0 0 0 0 0 2
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Total # of neighbors = 17738
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Ave neighs/atom = 5.9126667
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Neighbor list builds = 1139
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Dangerous builds = 0
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Total wall time: 0:00:12
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