forked from lijiext/lammps
optimize granular examples and include logs
This commit is contained in:
Axel Kohlmeyer
parent
af8a71b1ad
commit
98daf8f825
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@ -2,7 +2,7 @@
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# 'turn' cylinder by changing direction of gravity, then rotate it.
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# This simulates a rotating drum powder characterization experiment.
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variable name string rotating_drum_two_types
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variable name string rotating_drum_two_types
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atom_style sphere
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units lj
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@ -34,15 +34,14 @@ variable cyl_rad_inner equal ${drum_rad}-1.1*${rhi}
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variable dens equal 1.0
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variable skin equal 0.3*${rhi}
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variable skin equal 0.4*${rhi}
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#############
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region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz}
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processors * * 1
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region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz}
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create_box 2 boxreg
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change_box all boundary p p f
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comm_modify vel yes
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comm_modify vel yes
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variable theta equal 0
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@ -51,6 +50,7 @@ region bottom_wall plane ${xc} ${yc} 0 0 0 1 side in rotate v_theta ${xc} ${yc}
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region insreg cylinder z ${xc} ${yc} ${cyl_rad_inner} ${drum_height} ${boxz}
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fix 0 all balance 100 1.0 shift xy 5 1.1
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fix 1 all nve/sphere
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fix grav all gravity 10 vector 0 0 -1
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fix ins1 all pour 2000 1 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens}
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@ -68,20 +68,20 @@ pair_coeff 2 2 jkr 1e5 0.1 0.3 50 tangential mindlin NULL 1.0 0.5 rolling sds 1e
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fix 3 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region curved_wall
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fix 4 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region bottom_wall
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thermo_style custom step cpu atoms ke v_theta
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thermo_style custom step atoms ke v_theta
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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 ${name}.dump id type radius mass x y z
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#For removal later
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compute 1 all property/atom radius
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variable zmax atom z+c_1>0.5*${drum_height}
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compute 1 all property/atom radius
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variable zmax atom z+c_1>0.5*${drum_height}
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group delgroup dynamic all var zmax every 10000
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run 10000
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run 2000
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#Remove any particles that are above z > 0.5*drum_height
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delete_atoms group delgroup
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@ -91,8 +91,8 @@ region top_wall plane ${xc} ${yc} ${drum_height} 0 0 -1 side in rotate v_theta
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fix 5 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region top_wall
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# 'Turn' drum by switching the direction of gravity
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unfix grav
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unfix grav
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fix grav all gravity 10 vector 0 -1 0
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variable theta equal 2*PI*elapsed/20000.0
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run 30000
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variable theta equal 2*PI*elapsed/20000.0
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run 3000
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@ -30,7 +30,7 @@ variable dens equal 1.0
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variable skin equal 0.3*${rhi}
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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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create_box 2 boxreg
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change_box all boundary p p f
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@ -62,6 +62,6 @@ 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 ${name}.dump id type radius mass x y z
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run 15000
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run 5000
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@ -0,0 +1,271 @@
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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) into cylinder
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# 'turn' cylinder by changing direction of gravity, then rotate it.
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# This simulates a rotating drum powder characterization experiment.
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variable name string rotating_drum_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 30
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variable boxy equal 30
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variable boxz equal 50
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variable drum_rad equal ${boxx}*0.5
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variable drum_rad equal 30*0.5
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variable drum_height equal 20
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variable xc equal 0.5*${boxx}
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variable xc equal 0.5*30
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variable yc equal 0.5*${boxx}
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variable yc equal 0.5*30
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variable zc equal 0.5*${boxz}
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variable zc equal 0.5*50
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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 cyl_rad_inner equal ${drum_rad}-1.1*${rhi}
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variable cyl_rad_inner equal 15-1.1*${rhi}
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variable cyl_rad_inner equal 15-1.1*0.5
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variable dens equal 1.0
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variable skin equal 0.4*${rhi}
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variable skin equal 0.4*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 30 0 ${boxy} 0 ${boxz}
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region boxreg block 0 30 0 30 0 ${boxz}
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region boxreg block 0 30 0 30 0 50
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create_box 2 boxreg
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Created orthogonal box = (0 0 0) to (30 30 50)
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1 by 1 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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variable theta equal 0
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region curved_wall cylinder z ${xc} ${yc} ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1
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region curved_wall cylinder z 15 ${yc} ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1
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region curved_wall cylinder z 15 15 ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1
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region curved_wall cylinder z 15 15 15 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1
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region curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta ${xc} ${yc} 0 0 0 1
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region curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta 15 ${yc} 0 0 0 1
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region curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta 15 15 0 0 0 1
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region bottom_wall plane ${xc} ${yc} 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
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region bottom_wall plane 15 ${yc} 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
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region bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
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region bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta 15 ${yc} 0 0 0 1
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region bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta 15 15 0 0 0 1
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region insreg cylinder z ${xc} ${yc} ${cyl_rad_inner} ${drum_height} ${boxz}
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region insreg cylinder z 15 ${yc} ${cyl_rad_inner} ${drum_height} ${boxz}
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region insreg cylinder z 15 15 ${cyl_rad_inner} ${drum_height} ${boxz}
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region insreg cylinder z 15 15 14.45 ${drum_height} ${boxz}
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region insreg cylinder z 15 15 14.45 20 ${boxz}
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region insreg cylinder z 15 15 14.45 20 50
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fix 0 all balance 100 1.0 shift xy 5 1.1
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fix 1 all nve/sphere
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fix grav all gravity 10 vector 0 0 -1
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fix ins1 all pour 2000 1 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens}
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fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens}
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fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens ${dens} ${dens}
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fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens 1 ${dens}
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fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens 1 1
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Particle insertion: 9396 every 490 steps, 2000 by step 1
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fix ins2 all pour 2000 2 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens}
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fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens}
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fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens ${dens} ${dens}
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fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens 1 ${dens}
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fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens 1 1
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Particle insertion: 9396 every 490 steps, 2000 by step 1
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comm_modify vel yes
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neighbor ${skin} bin
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neighbor 0.2 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 * hertz/material 1e5 0.2 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji
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pair_coeff 2 2 jkr 1e5 0.1 0.3 50 tangential mindlin NULL 1.0 0.5 rolling sds 1e3 1e3 0.1 twisting marshall damping tsuji
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fix 3 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region curved_wall
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fix 4 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region bottom_wall
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thermo_style custom step atoms ke v_theta
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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 ${name}.dump id type radius mass x y z
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dump 1 all custom 100 rotating_drum_two_types.dump id type radius mass x y z
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#For removal later
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compute 1 all property/atom radius
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variable zmax atom z+c_1>0.5*${drum_height}
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variable zmax atom z+c_1>0.5*20
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group delgroup dynamic all var zmax every 10000
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dynamic group delgroup defined
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run 2000
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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 = 1.2
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ghost atom cutoff = 1.2
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binsize = 0.6, bins = 50 50 84
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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) = 13.02 | 13.02 | 13.02 Mbytes
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Step Atoms KinEng v_theta
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0 0 -0 0
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100 4000 -0 0
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200 4000 -0 0
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300 4000 -0 0
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400 4000 -0 0
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500 4000 -0 0
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600 4000 -0 0
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700 4000 -0 0
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800 4000 -0 0
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900 4000 -0 0
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1000 4000 -0 0
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1100 4000 -0 0
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1200 4000 -0 0
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1300 4000 -0 0
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1400 4000 -0 0
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1500 4000 -0 0
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1600 4000 -0 0
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1700 4000 -0 0
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1800 4000 -0 0
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1900 4000 -0 0
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2000 4000 -0 0
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Loop time of 3.54461 on 1 procs for 2000 steps with 4000 atoms
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Performance: 48750.057 tau/day, 564.237 timesteps/s
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99.5% 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 | 0.61949 | 0.61949 | 0.61949 | 0.0 | 17.48
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Neigh | 1.2492 | 1.2492 | 1.2492 | 0.0 | 35.24
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Comm | 0.046404 | 0.046404 | 0.046404 | 0.0 | 1.31
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Output | 0.15901 | 0.15901 | 0.15901 | 0.0 | 4.49
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Modify | 1.4165 | 1.4165 | 1.4165 | 0.0 | 39.96
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Other | | 0.05391 | | | 1.52
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Nlocal: 4000 ave 4000 max 4000 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 166 ave 166 max 166 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 8195 ave 8195 max 8195 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 8195
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Ave neighs/atom = 2.04875
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Neighbor list builds = 1004
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Dangerous builds = 3
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#Remove any particles that are above z > 0.5*drum_height
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delete_atoms group delgroup
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Deleted 0 atoms, new total = 4000
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#Add top lid
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region top_wall plane ${xc} ${yc} ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
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region top_wall plane 15 ${yc} ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
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region top_wall plane 15 15 ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
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region top_wall plane 15 15 20 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
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region top_wall plane 15 15 20 0 0 -1 side in rotate v_theta 15 ${yc} 0 0 0 1
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region top_wall plane 15 15 20 0 0 -1 side in rotate v_theta 15 15 0 0 0 1
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fix 5 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region top_wall
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# 'Turn' drum by switching the direction of gravity
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unfix grav
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fix grav all gravity 10 vector 0 -1 0
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variable theta equal 2*PI*elapsed/20000.0
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run 3000
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Per MPI rank memory allocation (min/avg/max) = 24.81 | 24.81 | 24.81 Mbytes
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Step Atoms KinEng v_theta
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2000 4000 64.333531 0
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2100 4000 106.69182 0.031415927
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2200 4000 121.8461 0.062831853
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2300 4000 88.767952 0.09424778
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2400 4000 82.850721 0.12566371
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2500 4000 91.683284 0.15707963
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2600 4000 31.56344 0.18849556
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2700 4000 4.5697672 0.21991149
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2800 4000 3.9879051 0.25132741
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2900 4000 4.4394235 0.28274334
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3000 4000 5.1212931 0.31415927
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3100 4000 5.8608892 0.34557519
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3200 4000 6.600714 0.37699112
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3300 4000 7.3497851 0.40840704
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3400 4000 8.0490988 0.43982297
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3500 4000 8.6712396 0.4712389
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3600 4000 9.1328667 0.50265482
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3700 4000 9.4683561 0.53407075
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3800 4000 9.5878145 0.56548668
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3900 4000 9.387745 0.5969026
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4000 4000 8.9117631 0.62831853
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4100 4000 8.2344368 0.65973446
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4200 4000 7.5335088 0.69115038
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4300 4000 6.8426179 0.72256631
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4400 4000 6.0567247 0.75398224
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4500 4000 5.4166132 0.78539816
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4600 4000 4.6012409 0.81681409
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4700 4000 3.8314982 0.84823002
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4800 4000 3.1916415 0.87964594
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4900 4000 2.7833964 0.91106187
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5000 4000 2.5051362 0.9424778
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Loop time of 11.9545 on 1 procs for 3000 steps with 4000 atoms
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Performance: 21682.142 tau/day, 250.951 timesteps/s
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99.7% 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 | 4.8291 | 4.8291 | 4.8291 | 0.0 | 40.40
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Neigh | 2.7489 | 2.7489 | 2.7489 | 0.0 | 22.99
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Comm | 0.071249 | 0.071249 | 0.071249 | 0.0 | 0.60
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Output | 0.20547 | 0.20547 | 0.20547 | 0.0 | 1.72
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Modify | 4.0179 | 4.0179 | 4.0179 | 0.0 | 33.61
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Other | | 0.0819 | | | 0.69
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Nlocal: 4000 ave 4000 max 4000 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 322 ave 322 max 322 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 14849 ave 14849 max 14849 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 14849
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Ave neighs/atom = 3.71225
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Neighbor list builds = 1290
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Dangerous builds = 672
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Total wall time: 0:00:15
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@ -0,0 +1,271 @@
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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) into cylinder
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# 'turn' cylinder by changing direction of gravity, then rotate it.
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# This simulates a rotating drum powder characterization experiment.
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variable name string rotating_drum_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 30
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variable boxy equal 30
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variable boxz equal 50
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variable drum_rad equal ${boxx}*0.5
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variable drum_rad equal 30*0.5
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variable drum_height equal 20
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variable xc equal 0.5*${boxx}
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variable xc equal 0.5*30
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variable yc equal 0.5*${boxx}
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variable yc equal 0.5*30
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variable zc equal 0.5*${boxz}
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variable zc equal 0.5*50
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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 cyl_rad_inner equal ${drum_rad}-1.1*${rhi}
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variable cyl_rad_inner equal 15-1.1*${rhi}
|
||||
variable cyl_rad_inner equal 15-1.1*0.5
|
||||
|
||||
variable dens equal 1.0
|
||||
|
||||
variable skin equal 0.4*${rhi}
|
||||
variable skin equal 0.4*0.5
|
||||
|
||||
#############
|
||||
processors * * 1
|
||||
region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz}
|
||||
region boxreg block 0 30 0 ${boxy} 0 ${boxz}
|
||||
region boxreg block 0 30 0 30 0 ${boxz}
|
||||
region boxreg block 0 30 0 30 0 50
|
||||
create_box 2 boxreg
|
||||
Created orthogonal box = (0 0 0) to (30 30 50)
|
||||
2 by 2 by 1 MPI processor grid
|
||||
change_box all boundary p p f
|
||||
comm_modify vel yes
|
||||
|
||||
variable theta equal 0
|
||||
|
||||
region curved_wall cylinder z ${xc} ${yc} ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1
|
||||
region curved_wall cylinder z 15 ${yc} ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1
|
||||
region curved_wall cylinder z 15 15 ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1
|
||||
region curved_wall cylinder z 15 15 15 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1
|
||||
region curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta ${xc} ${yc} 0 0 0 1
|
||||
region curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta 15 ${yc} 0 0 0 1
|
||||
region curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta 15 15 0 0 0 1
|
||||
region bottom_wall plane ${xc} ${yc} 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
|
||||
region bottom_wall plane 15 ${yc} 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
|
||||
region bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
|
||||
region bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta 15 ${yc} 0 0 0 1
|
||||
region bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta 15 15 0 0 0 1
|
||||
|
||||
region insreg cylinder z ${xc} ${yc} ${cyl_rad_inner} ${drum_height} ${boxz}
|
||||
region insreg cylinder z 15 ${yc} ${cyl_rad_inner} ${drum_height} ${boxz}
|
||||
region insreg cylinder z 15 15 ${cyl_rad_inner} ${drum_height} ${boxz}
|
||||
region insreg cylinder z 15 15 14.45 ${drum_height} ${boxz}
|
||||
region insreg cylinder z 15 15 14.45 20 ${boxz}
|
||||
region insreg cylinder z 15 15 14.45 20 50
|
||||
|
||||
fix 0 all balance 100 1.0 shift xy 5 1.1
|
||||
fix 1 all nve/sphere
|
||||
fix grav all gravity 10 vector 0 0 -1
|
||||
fix ins1 all pour 2000 1 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens}
|
||||
fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens}
|
||||
fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens ${dens} ${dens}
|
||||
fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens 1 ${dens}
|
||||
fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens 1 1
|
||||
Particle insertion: 9396 every 490 steps, 2000 by step 1
|
||||
fix ins2 all pour 2000 2 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens}
|
||||
fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens}
|
||||
fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens ${dens} ${dens}
|
||||
fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens 1 ${dens}
|
||||
fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens 1 1
|
||||
Particle insertion: 9396 every 490 steps, 2000 by step 1
|
||||
|
||||
comm_modify vel yes
|
||||
|
||||
neighbor ${skin} bin
|
||||
neighbor 0.2 bin
|
||||
neigh_modify delay 0 every 1 check yes
|
||||
|
||||
pair_style granular
|
||||
pair_coeff 1 * hertz/material 1e5 0.2 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji
|
||||
pair_coeff 2 2 jkr 1e5 0.1 0.3 50 tangential mindlin NULL 1.0 0.5 rolling sds 1e3 1e3 0.1 twisting marshall damping tsuji
|
||||
|
||||
fix 3 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region curved_wall
|
||||
fix 4 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region bottom_wall
|
||||
|
||||
thermo_style custom step atoms ke v_theta
|
||||
thermo_modify lost warn
|
||||
thermo 100
|
||||
|
||||
timestep 0.001
|
||||
|
||||
dump 1 all custom 100 ${name}.dump id type radius mass x y z
|
||||
dump 1 all custom 100 rotating_drum_two_types.dump id type radius mass x y z
|
||||
|
||||
#For removal later
|
||||
compute 1 all property/atom radius
|
||||
variable zmax atom z+c_1>0.5*${drum_height}
|
||||
variable zmax atom z+c_1>0.5*20
|
||||
group delgroup dynamic all var zmax every 10000
|
||||
dynamic group delgroup defined
|
||||
|
||||
run 2000
|
||||
Neighbor list info ...
|
||||
update every 1 steps, delay 0 steps, check yes
|
||||
max neighbors/atom: 2000, page size: 100000
|
||||
master list distance cutoff = 1.2
|
||||
ghost atom cutoff = 1.2
|
||||
binsize = 0.6, bins = 50 50 84
|
||||
1 neighbor lists, perpetual/occasional/extra = 1 0 0
|
||||
(1) pair granular, perpetual
|
||||
attributes: half, newton on, size, history
|
||||
pair build: half/size/bin/newton
|
||||
stencil: half/bin/3d/newton
|
||||
bin: standard
|
||||
Per MPI rank memory allocation (min/avg/max) = 12.25 | 12.25 | 12.25 Mbytes
|
||||
Step Atoms KinEng v_theta
|
||||
0 0 -0 0
|
||||
100 4000 -0 0
|
||||
200 4000 -0 0
|
||||
300 4000 -0 0
|
||||
400 4000 -0 0
|
||||
500 4000 -0 0
|
||||
600 4000 -0 0
|
||||
700 4000 -0 0
|
||||
800 4000 -0 0
|
||||
900 4000 -0 0
|
||||
1000 4000 -0 0
|
||||
1100 4000 -0 0
|
||||
1200 4000 -0 0
|
||||
1300 4000 -0 0
|
||||
1400 4000 -0 0
|
||||
1500 4000 -0 0
|
||||
1600 4000 -0 0
|
||||
1700 4000 -0 0
|
||||
1800 4000 -0 0
|
||||
1900 4000 -0 0
|
||||
2000 4000 -0 0
|
||||
Loop time of 2.0709 on 4 procs for 2000 steps with 4000 atoms
|
||||
|
||||
Performance: 83442.024 tau/day, 965.764 timesteps/s
|
||||
97.7% CPU use with 4 MPI tasks x 1 OpenMP threads
|
||||
|
||||
MPI task timing breakdown:
|
||||
Section | min time | avg time | max time |%varavg| %total
|
||||
---------------------------------------------------------------
|
||||
Pair | 0.24679 | 0.26336 | 0.28853 | 3.0 | 12.72
|
||||
Neigh | 0.52279 | 0.5332 | 0.53858 | 0.9 | 25.75
|
||||
Comm | 0.17418 | 0.20253 | 0.23266 | 4.7 | 9.78
|
||||
Output | 0.092897 | 0.093531 | 0.09515 | 0.3 | 4.52
|
||||
Modify | 0.88151 | 0.89571 | 0.90582 | 0.9 | 43.25
|
||||
Other | | 0.08257 | | | 3.99
|
||||
|
||||
Nlocal: 1000 ave 1001 max 999 min
|
||||
Histogram: 2 0 0 0 0 0 0 0 0 2
|
||||
Nghost: 267.75 ave 276 max 262 min
|
||||
Histogram: 1 0 1 0 1 0 0 0 0 1
|
||||
Neighs: 2031.5 ave 2091 max 1958 min
|
||||
Histogram: 1 0 0 0 1 0 0 1 0 1
|
||||
|
||||
Total # of neighbors = 8126
|
||||
Ave neighs/atom = 2.0315
|
||||
Neighbor list builds = 1004
|
||||
Dangerous builds = 3
|
||||
|
||||
#Remove any particles that are above z > 0.5*drum_height
|
||||
delete_atoms group delgroup
|
||||
Deleted 0 atoms, new total = 4000
|
||||
|
||||
#Add top lid
|
||||
region top_wall plane ${xc} ${yc} ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
|
||||
region top_wall plane 15 ${yc} ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
|
||||
region top_wall plane 15 15 ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
|
||||
region top_wall plane 15 15 20 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1
|
||||
region top_wall plane 15 15 20 0 0 -1 side in rotate v_theta 15 ${yc} 0 0 0 1
|
||||
region top_wall plane 15 15 20 0 0 -1 side in rotate v_theta 15 15 0 0 0 1
|
||||
fix 5 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region top_wall
|
||||
|
||||
# 'Turn' drum by switching the direction of gravity
|
||||
unfix grav
|
||||
fix grav all gravity 10 vector 0 -1 0
|
||||
|
||||
variable theta equal 2*PI*elapsed/20000.0
|
||||
run 3000
|
||||
Per MPI rank memory allocation (min/avg/max) = 21.6 | 22.6 | 23.82 Mbytes
|
||||
Step Atoms KinEng v_theta
|
||||
2000 4000 64.255821 0
|
||||
2100 4000 106.47082 0.031415927
|
||||
2200 4000 121.52634 0.062831853
|
||||
2300 4000 87.748818 0.09424778
|
||||
2400 4000 82.712784 0.12566371
|
||||
2500 4000 90.618713 0.15707963
|
||||
2600 4000 30.096031 0.18849556
|
||||
2700 4000 4.0838611 0.21991149
|
||||
2800 4000 3.7485959 0.25132741
|
||||
2900 4000 4.2159774 0.28274334
|
||||
3000 4000 4.8730048 0.31415927
|
||||
3100 4000 5.6109465 0.34557519
|
||||
3200 4000 6.4290528 0.37699112
|
||||
3300 4000 7.2699677 0.40840704
|
||||
3400 4000 8.0895944 0.43982297
|
||||
3500 4000 8.7222781 0.4712389
|
||||
3600 4000 9.133205 0.50265482
|
||||
3700 4000 9.3404584 0.53407075
|
||||
3800 4000 9.3359844 0.56548668
|
||||
3900 4000 9.0916854 0.5969026
|
||||
4000 4000 8.5596424 0.62831853
|
||||
4100 4000 7.9734883 0.65973446
|
||||
4200 4000 7.2154383 0.69115038
|
||||
4300 4000 6.7039232 0.72256631
|
||||
4400 4000 6.1542738 0.75398224
|
||||
4500 4000 5.4049454 0.78539816
|
||||
4600 4000 4.4603192 0.81681409
|
||||
4700 4000 3.6197985 0.84823002
|
||||
4800 4000 2.9895571 0.87964594
|
||||
4900 4000 2.5314553 0.91106187
|
||||
5000 4000 2.2645533 0.9424778
|
||||
Loop time of 6.64209 on 4 procs for 3000 steps with 4000 atoms
|
||||
|
||||
Performance: 39023.861 tau/day, 451.665 timesteps/s
|
||||
96.6% CPU use with 4 MPI tasks x 1 OpenMP threads
|
||||
|
||||
MPI task timing breakdown:
|
||||
Section | min time | avg time | max time |%varavg| %total
|
||||
---------------------------------------------------------------
|
||||
Pair | 1.8376 | 2.126 | 2.3131 | 12.6 | 32.01
|
||||
Neigh | 0.97762 | 1.0518 | 1.1337 | 5.4 | 15.84
|
||||
Comm | 0.53699 | 0.84265 | 1.2325 | 27.6 | 12.69
|
||||
Output | 0.13922 | 0.14159 | 0.14388 | 0.4 | 2.13
|
||||
Modify | 1.8815 | 2.1026 | 2.3368 | 11.2 | 31.66
|
||||
Other | | 0.3774 | | | 5.68
|
||||
|
||||
Nlocal: 1000 ave 1256 max 744 min
|
||||
Histogram: 2 0 0 0 0 0 0 0 0 2
|
||||
Nghost: 579.5 ave 789 max 498 min
|
||||
Histogram: 2 1 0 0 0 0 0 0 0 1
|
||||
Neighs: 3696.25 ave 4853 max 2590 min
|
||||
Histogram: 2 0 0 0 0 0 0 0 1 1
|
||||
|
||||
Total # of neighbors = 14785
|
||||
Ave neighs/atom = 3.69625
|
||||
Neighbor list builds = 1230
|
||||
Dangerous builds = 676
|
||||
Total wall time: 0:00:08
|
||||
|
|
@ -0,0 +1,134 @@
|
|||
LAMMPS (29 Mar 2019)
|
||||
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:88)
|
||||
using 1 OpenMP thread(s) per MPI task
|
||||
# pour two types of particles (cohesive and non-cohesive) on flat wall
|
||||
|
||||
variable name string pour_two_types
|
||||
|
||||
atom_style sphere
|
||||
units lj
|
||||
|
||||
###############################################
|
||||
# Geometry-related parameters
|
||||
###############################################
|
||||
|
||||
variable boxx equal 20
|
||||
variable boxy equal 20
|
||||
variable boxz equal 30
|
||||
|
||||
variable xc1 equal 0.3*${boxx}
|
||||
variable xc1 equal 0.3*20
|
||||
variable xc2 equal 0.7*${boxx}
|
||||
variable xc2 equal 0.7*20
|
||||
variable yc equal 0.5*${boxy}
|
||||
variable yc equal 0.5*20
|
||||
|
||||
###############################################
|
||||
# Particle-related parameters
|
||||
###############################################
|
||||
variable rlo equal 0.25
|
||||
variable rhi equal 0.5
|
||||
variable dlo equal 2.0*${rlo}
|
||||
variable dlo equal 2.0*0.25
|
||||
variable dhi equal 2.0*${rhi}
|
||||
variable dhi equal 2.0*0.5
|
||||
|
||||
variable dens equal 1.0
|
||||
|
||||
variable skin equal 0.3*${rhi}
|
||||
variable skin equal 0.3*0.5
|
||||
|
||||
#############
|
||||
processors * * 1
|
||||
region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz}
|
||||
region boxreg block 0 20 0 ${boxy} 0 ${boxz}
|
||||
region boxreg block 0 20 0 20 0 ${boxz}
|
||||
region boxreg block 0 20 0 20 0 30
|
||||
create_box 2 boxreg
|
||||
Created orthogonal box = (0 0 0) to (20 20 30)
|
||||
1 by 1 by 1 MPI processor grid
|
||||
change_box all boundary p p f
|
||||
|
||||
comm_modify vel yes
|
||||
|
||||
region insreg1 cylinder z ${xc1} ${yc} 5 15 ${boxz}
|
||||
region insreg1 cylinder z 6 ${yc} 5 15 ${boxz}
|
||||
region insreg1 cylinder z 6 10 5 15 ${boxz}
|
||||
region insreg1 cylinder z 6 10 5 15 30
|
||||
region insreg2 cylinder z ${xc2} ${yc} 5 15 ${boxz}
|
||||
region insreg2 cylinder z 14 ${yc} 5 15 ${boxz}
|
||||
region insreg2 cylinder z 14 10 5 15 ${boxz}
|
||||
region insreg2 cylinder z 14 10 5 15 30
|
||||
|
||||
fix 1 all nve/sphere
|
||||
fix grav all gravity 10.0 vector 0 0 -1
|
||||
fix ins1 all pour 1500 1 3123 region insreg1 diam range ${dlo} ${dhi} dens ${dens} ${dens}
|
||||
fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 ${dhi} dens ${dens} ${dens}
|
||||
fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens ${dens} ${dens}
|
||||
fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 ${dens}
|
||||
fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 1
|
||||
Particle insertion: 562 every 346 steps, 1500 by step 693
|
||||
fix ins2 all pour 1500 2 3123 region insreg2 diam range ${dlo} ${dhi} dens ${dens} ${dens}
|
||||
fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 ${dhi} dens ${dens} ${dens}
|
||||
fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens ${dens} ${dens}
|
||||
fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 ${dens}
|
||||
fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 1
|
||||
Particle insertion: 562 every 346 steps, 1500 by step 693
|
||||
|
||||
comm_modify vel yes
|
||||
|
||||
neighbor ${skin} bin
|
||||
neighbor 0.15 bin
|
||||
neigh_modify delay 0 every 1 check yes
|
||||
|
||||
pair_style granular
|
||||
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
|
||||
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
|
||||
|
||||
fix 3 all wall/gran granular hertz/material 1e5 1e3 0.3 tangential mindlin NULL 1.0 0.5 zplane 0 NULL
|
||||
|
||||
thermo_style custom step cpu atoms ke
|
||||
thermo_modify lost warn
|
||||
thermo 100
|
||||
|
||||
timestep 0.001
|
||||
|
||||
#dump 1 all custom 100 ${name}.dump id type radius mass x y z
|
||||
|
||||
run 5000
|
||||
Neighbor list info ...
|
||||
update every 1 steps, delay 0 steps, check yes
|
||||
max neighbors/atom: 2000, page size: 100000
|
||||
master list distance cutoff = 1.15
|
||||
ghost atom cutoff = 1.15
|
||||
binsize = 0.575, bins = 35 35 53
|
||||
1 neighbor lists, perpetual/occasional/extra = 1 0 0
|
||||
(1) pair granular, perpetual
|
||||
attributes: half, newton on, size, history
|
||||
pair build: half/size/bin/newton
|
||||
stencil: half/bin/3d/newton
|
||||
bin: standard
|
||||
Per MPI rank memory allocation (min/avg/max) = 12.22 | 12.22 | 12.22 Mbytes
|
||||
Step CPU Atoms KinEng
|
||||
0 0 0 -0
|
||||
100 3.8153191 855 -0
|
||||
200 4.195287 855 -0
|
||||
300 4.5890362 855 -0
|
||||
400 10.636087 1500 -0
|
||||
500 11.306909 1500 -0
|
||||
600 11.968198 1500 -0
|
||||
700 22.631892 2288 -0
|
||||
800 23.711387 2288 -0
|
||||
900 24.754344 2288 -0
|
||||
1000 25.811778 2288 -0
|
||||
1100 35.368869 2845 -0
|
||||
1200 37.149843 2845 -0
|
||||
1300 39.026458 2845 -0
|
||||
1400 41.757583 3000 -0
|
||||
1500 45.155503 3000 -0
|
||||
1600 48.570241 3000 -0
|
||||
1700 52.839322 3000 -0
|
||||
1800 59.772697 3000 -0
|
||||
1900 69.493305 3000 -0
|
||||
2000 114.61886 3000 -0
|
||||
2100 152.89232 3000 -0
|
||||
|
|
@ -0,0 +1,191 @@
|
|||
LAMMPS (29 Mar 2019)
|
||||
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:88)
|
||||
using 1 OpenMP thread(s) per MPI task
|
||||
# pour two types of particles (cohesive and non-cohesive) on flat wall
|
||||
|
||||
variable name string pour_two_types
|
||||
|
||||
atom_style sphere
|
||||
units lj
|
||||
|
||||
###############################################
|
||||
# Geometry-related parameters
|
||||
###############################################
|
||||
|
||||
variable boxx equal 20
|
||||
variable boxy equal 20
|
||||
variable boxz equal 30
|
||||
|
||||
variable xc1 equal 0.3*${boxx}
|
||||
variable xc1 equal 0.3*20
|
||||
variable xc2 equal 0.7*${boxx}
|
||||
variable xc2 equal 0.7*20
|
||||
variable yc equal 0.5*${boxy}
|
||||
variable yc equal 0.5*20
|
||||
|
||||
###############################################
|
||||
# Particle-related parameters
|
||||
###############################################
|
||||
variable rlo equal 0.25
|
||||
variable rhi equal 0.5
|
||||
variable dlo equal 2.0*${rlo}
|
||||
variable dlo equal 2.0*0.25
|
||||
variable dhi equal 2.0*${rhi}
|
||||
variable dhi equal 2.0*0.5
|
||||
|
||||
variable dens equal 1.0
|
||||
|
||||
variable skin equal 0.3*${rhi}
|
||||
variable skin equal 0.3*0.5
|
||||
|
||||
#############
|
||||
processors * * 1
|
||||
region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz}
|
||||
region boxreg block 0 20 0 ${boxy} 0 ${boxz}
|
||||
region boxreg block 0 20 0 20 0 ${boxz}
|
||||
region boxreg block 0 20 0 20 0 30
|
||||
create_box 2 boxreg
|
||||
Created orthogonal box = (0 0 0) to (20 20 30)
|
||||
2 by 2 by 1 MPI processor grid
|
||||
change_box all boundary p p f
|
||||
|
||||
comm_modify vel yes
|
||||
|
||||
region insreg1 cylinder z ${xc1} ${yc} 5 15 ${boxz}
|
||||
region insreg1 cylinder z 6 ${yc} 5 15 ${boxz}
|
||||
region insreg1 cylinder z 6 10 5 15 ${boxz}
|
||||
region insreg1 cylinder z 6 10 5 15 30
|
||||
region insreg2 cylinder z ${xc2} ${yc} 5 15 ${boxz}
|
||||
region insreg2 cylinder z 14 ${yc} 5 15 ${boxz}
|
||||
region insreg2 cylinder z 14 10 5 15 ${boxz}
|
||||
region insreg2 cylinder z 14 10 5 15 30
|
||||
|
||||
fix 1 all nve/sphere
|
||||
fix grav all gravity 10.0 vector 0 0 -1
|
||||
fix ins1 all pour 1500 1 3123 region insreg1 diam range ${dlo} ${dhi} dens ${dens} ${dens}
|
||||
fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 ${dhi} dens ${dens} ${dens}
|
||||
fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens ${dens} ${dens}
|
||||
fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 ${dens}
|
||||
fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 1
|
||||
Particle insertion: 562 every 346 steps, 1500 by step 693
|
||||
fix ins2 all pour 1500 2 3123 region insreg2 diam range ${dlo} ${dhi} dens ${dens} ${dens}
|
||||
fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 ${dhi} dens ${dens} ${dens}
|
||||
fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens ${dens} ${dens}
|
||||
fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 ${dens}
|
||||
fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 1
|
||||
Particle insertion: 562 every 346 steps, 1500 by step 693
|
||||
|
||||
comm_modify vel yes
|
||||
|
||||
neighbor ${skin} bin
|
||||
neighbor 0.15 bin
|
||||
neigh_modify delay 0 every 1 check yes
|
||||
|
||||
pair_style granular
|
||||
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
|
||||
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
|
||||
|
||||
fix 3 all wall/gran granular hertz/material 1e5 1e3 0.3 tangential mindlin NULL 1.0 0.5 zplane 0 NULL
|
||||
|
||||
thermo_style custom step cpu atoms ke
|
||||
thermo_modify lost warn
|
||||
thermo 100
|
||||
|
||||
timestep 0.001
|
||||
|
||||
dump 1 all custom 100 ${name}.dump id type radius mass x y z
|
||||
dump 1 all custom 100 pour_two_types.dump id type radius mass x y z
|
||||
|
||||
run 5000
|
||||
Neighbor list info ...
|
||||
update every 1 steps, delay 0 steps, check yes
|
||||
max neighbors/atom: 2000, page size: 100000
|
||||
master list distance cutoff = 1.15
|
||||
ghost atom cutoff = 1.15
|
||||
binsize = 0.575, bins = 35 35 53
|
||||
1 neighbor lists, perpetual/occasional/extra = 1 0 0
|
||||
(1) pair granular, perpetual
|
||||
attributes: half, newton on, size, history
|
||||
pair build: half/size/bin/newton
|
||||
stencil: half/bin/3d/newton
|
||||
bin: standard
|
||||
Per MPI rank memory allocation (min/avg/max) = 11.98 | 11.98 | 11.98 Mbytes
|
||||
Step CPU Atoms KinEng
|
||||
0 0 0 -0
|
||||
100 0.11584234 855 -0
|
||||
200 0.12743592 855 -0
|
||||
300 0.13925815 855 -0
|
||||
400 0.35203671 1500 -0
|
||||
500 0.37055922 1500 -0
|
||||
600 0.38671875 1500 -0
|
||||
700 0.71736908 2288 -0
|
||||
800 0.74506783 2288 -0
|
||||
900 0.77112222 2288 -0
|
||||
1000 0.79632139 2288 -0
|
||||
1100 1.0384252 2845 -0
|
||||
1200 1.08093 2845 -0
|
||||
1300 1.1224561 2845 -0
|
||||
1400 1.1811485 3000 -0
|
||||
1500 1.2414908 3000 -0
|
||||
1600 1.3105879 3000 -0
|
||||
1700 1.390928 3000 -0
|
||||
1800 1.4869275 3000 -0
|
||||
1900 1.5958266 3000 -0
|
||||
2000 1.7172487 3000 -0
|
||||
2100 1.851155 3000 -0
|
||||
2200 1.9957182 3000 -0
|
||||
2300 2.1593764 3000 -0
|
||||
2400 2.3433132 3000 -0
|
||||
2500 2.532742 3000 -0
|
||||
2600 2.7376895 3000 -0
|
||||
2700 2.9463468 3000 -0
|
||||
2800 3.1645725 3000 -0
|
||||
2900 3.3879526 3000 -0
|
||||
3000 3.6152103 3000 -0
|
||||
3100 3.8467371 3000 -0
|
||||
3200 4.0787683 3000 -0
|
||||
3300 4.3097105 3000 -0
|
||||
3400 4.5423617 3000 -0
|
||||
3500 4.7773693 3000 -0
|
||||
3600 5.0127218 3000 -0
|
||||
3700 5.2519271 3000 -0
|
||||
3800 5.4951298 3000 -0
|
||||
3900 5.7210469 3000 -0
|
||||
4000 5.9432652 3000 -0
|
||||
4100 6.1687591 3000 -0
|
||||
4200 6.3942792 3000 -0
|
||||
4300 6.6331475 3000 -0
|
||||
4400 6.8632154 3000 -0
|
||||
4500 7.0979366 3000 -0
|
||||
4600 7.3305347 3000 -0
|
||||
4700 7.5670528 3000 -0
|
||||
4800 7.8086057 3000 -0
|
||||
4900 8.0407174 3000 -0
|
||||
5000 8.2765219 3000 -0
|
||||
Loop time of 8.27669 on 4 procs for 5000 steps with 3000 atoms
|
||||
|
||||
Performance: 52194.788 tau/day, 604.106 timesteps/s
|
||||
97.7% CPU use with 4 MPI tasks x 1 OpenMP threads
|
||||
|
||||
MPI task timing breakdown:
|
||||
Section | min time | avg time | max time |%varavg| %total
|
||||
---------------------------------------------------------------
|
||||
Pair | 1.6106 | 3.4073 | 5.4191 | 95.7 | 41.17
|
||||
Neigh | 0.51456 | 0.64572 | 0.81542 | 16.6 | 7.80
|
||||
Comm | 0.2808 | 2.5222 | 4.4998 | 121.9 | 30.47
|
||||
Output | 0.15695 | 0.15919 | 0.16502 | 0.8 | 1.92
|
||||
Modify | 1.3517 | 1.4192 | 1.4904 | 4.9 | 17.15
|
||||
Other | | 0.123 | | | 1.49
|
||||
|
||||
Nlocal: 750 ave 1036 max 482 min
|
||||
Histogram: 2 0 0 0 0 0 0 0 1 1
|
||||
Nghost: 429.75 ave 475 max 386 min
|
||||
Histogram: 2 0 0 0 0 0 0 0 0 2
|
||||
Neighs: 4051.75 ave 6274 max 2057 min
|
||||
Histogram: 2 0 0 0 0 0 0 0 1 1
|
||||
|
||||
Total # of neighbors = 16207
|
||||
Ave neighs/atom = 5.40233
|
||||
Neighbor list builds = 1165
|
||||
Dangerous builds = 0
|
||||
Total wall time: 0:00:08
|
||||
Loading…
Reference in New Issue