forked from lijiext/lammps
192 lines
7.2 KiB
Groff
192 lines
7.2 KiB
Groff
LAMMPS (29 Mar 2019)
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OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:88)
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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 0 0) to (20 20 30)
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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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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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comm_modify vel yes
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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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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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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 cpu 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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dump 1 all custom 100 pour_two_types.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 CPU Atoms KinEng
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0 0 0 -0
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100 0.11584234 855 -0
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200 0.12743592 855 -0
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300 0.13925815 855 -0
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400 0.35203671 1500 -0
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500 0.37055922 1500 -0
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600 0.38671875 1500 -0
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700 0.71736908 2288 -0
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800 0.74506783 2288 -0
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900 0.77112222 2288 -0
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1000 0.79632139 2288 -0
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1100 1.0384252 2845 -0
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1200 1.08093 2845 -0
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1300 1.1224561 2845 -0
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1400 1.1811485 3000 -0
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1500 1.2414908 3000 -0
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1600 1.3105879 3000 -0
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1700 1.390928 3000 -0
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1800 1.4869275 3000 -0
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1900 1.5958266 3000 -0
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2000 1.7172487 3000 -0
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2100 1.851155 3000 -0
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2200 1.9957182 3000 -0
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2300 2.1593764 3000 -0
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2400 2.3433132 3000 -0
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2500 2.532742 3000 -0
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2600 2.7376895 3000 -0
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2700 2.9463468 3000 -0
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2800 3.1645725 3000 -0
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2900 3.3879526 3000 -0
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3000 3.6152103 3000 -0
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3100 3.8467371 3000 -0
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3200 4.0787683 3000 -0
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3300 4.3097105 3000 -0
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3400 4.5423617 3000 -0
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3500 4.7773693 3000 -0
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3600 5.0127218 3000 -0
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3700 5.2519271 3000 -0
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3800 5.4951298 3000 -0
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3900 5.7210469 3000 -0
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4000 5.9432652 3000 -0
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4100 6.1687591 3000 -0
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4200 6.3942792 3000 -0
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4300 6.6331475 3000 -0
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4400 6.8632154 3000 -0
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4500 7.0979366 3000 -0
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4600 7.3305347 3000 -0
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4700 7.5670528 3000 -0
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4800 7.8086057 3000 -0
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4900 8.0407174 3000 -0
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5000 8.2765219 3000 -0
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Loop time of 8.27669 on 4 procs for 5000 steps with 3000 atoms
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Performance: 52194.788 tau/day, 604.106 timesteps/s
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97.7% 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 | 1.6106 | 3.4073 | 5.4191 | 95.7 | 41.17
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Neigh | 0.51456 | 0.64572 | 0.81542 | 16.6 | 7.80
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Comm | 0.2808 | 2.5222 | 4.4998 | 121.9 | 30.47
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Output | 0.15695 | 0.15919 | 0.16502 | 0.8 | 1.92
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Modify | 1.3517 | 1.4192 | 1.4904 | 4.9 | 17.15
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Other | | 0.123 | | | 1.49
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Nlocal: 750 ave 1036 max 482 min
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Histogram: 2 0 0 0 0 0 0 0 1 1
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Nghost: 429.75 ave 475 max 386 min
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Histogram: 2 0 0 0 0 0 0 0 0 2
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Neighs: 4051.75 ave 6274 max 2057 min
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Histogram: 2 0 0 0 0 0 0 0 1 1
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Total # of neighbors = 16207
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Ave neighs/atom = 5.40233
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Neighbor list builds = 1165
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Dangerous builds = 0
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Total wall time: 0:00:08
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