optimize granular examples and include logs (98daf8f8) · Commits · 郑智淋 / lammps

examples/granular/in.pour.drum

+14 −14

Original line number	Diff line number	Diff line
		@@ -34,14 +34,13 @@ variable cyl_rad_inner equal ${drum_rad}-1.1*${rhi}

		variable dens equal 1.0

		variable skin equal 0.3*${rhi}
		variable skin equal 0.4*${rhi}

		#############

		processors * * 1
		region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz}
		create_box 2 boxreg
		change_box all boundary p p f

		comm_modify vel yes

		variable theta equal 0
		@@ -51,6 +50,7 @@ region bottom_wall plane ${xc} ${yc} 0 0 0 1 side in rotate v_theta ${xc} ${yc}

		region insreg cylinder z ${xc} ${yc} ${cyl_rad_inner} ${drum_height} ${boxz}

		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}
		@@ -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
		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 cpu atoms ke v_theta
		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 ${name}.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}
		group delgroup dynamic all var zmax every 10000

		run 10000
		run 2000

		#Remove any particles that are above z > 0.5*drum_height
		delete_atoms group delgroup
		@@ -95,4 +95,4 @@ unfix grav
		fix grav all gravity 10 vector 0 -1 0

		variable theta equal 2PIelapsed/20000.0
		run 30000
		No newline at end of file
		run 3000

examples/granular/in.pour.flatwall

+3 −3

Original line number	Diff line number	Diff line
		@@ -30,7 +30,7 @@ variable dens equal 1.0
		variable skin equal 0.3*${rhi}

		#############

		processors * * 1
		region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz}
		create_box 2 boxreg
		change_box all boundary p p f
		@@ -62,6 +62,6 @@ thermo 100

		timestep 0.001

		dump 1 all custom 100 ${name}.dump id type radius mass x y z
		#dump 1 all custom 100 ${name}.dump id type radius mass x y z

		run 15000
		run 5000

examples/granular/log.29Mar19.pour.drum.g++.1

0 → 100644

+271 −0

Original line number	Diff line number	Diff line
		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) into cylinder
		# 'turn' cylinder by changing direction of gravity, then rotate it.
		# This simulates a rotating drum powder characterization experiment.

		variable name string rotating_drum_two_types

		atom_style sphere
		units lj

		###############################################
		# Geometry-related parameters
		###############################################

		variable boxx equal 30
		variable boxy equal 30
		variable boxz equal 50

		variable drum_rad equal ${boxx}*0.5
		variable drum_rad equal 30*0.5
		variable drum_height equal 20

		variable xc equal 0.5*${boxx}
		variable xc equal 0.5*30
		variable yc equal 0.5*${boxx}
		variable yc equal 0.5*30
		variable zc equal 0.5*${boxz}
		variable zc equal 0.5*50

		###############################################
		# 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 cyl_rad_inner equal ${drum_rad}-1.1*${rhi}
		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)
		1 by 1 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) = 13.02 \| 13.02 \| 13.02 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 3.54461 on 1 procs for 2000 steps with 4000 atoms

		Performance: 48750.057 tau/day, 564.237 timesteps/s
		99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

		MPI task timing breakdown:
		Section \| min time \| avg time \| max time \|%varavg\| %total
		---------------------------------------------------------------
		Pair \| 0.61949 \| 0.61949 \| 0.61949 \| 0.0 \| 17.48
		Neigh \| 1.2492 \| 1.2492 \| 1.2492 \| 0.0 \| 35.24
		Comm \| 0.046404 \| 0.046404 \| 0.046404 \| 0.0 \| 1.31
		Output \| 0.15901 \| 0.15901 \| 0.15901 \| 0.0 \| 4.49
		Modify \| 1.4165 \| 1.4165 \| 1.4165 \| 0.0 \| 39.96
		Other \| \| 0.05391 \| \| \| 1.52

		Nlocal: 4000 ave 4000 max 4000 min
		Histogram: 1 0 0 0 0 0 0 0 0 0
		Nghost: 166 ave 166 max 166 min
		Histogram: 1 0 0 0 0 0 0 0 0 0
		Neighs: 8195 ave 8195 max 8195 min
		Histogram: 1 0 0 0 0 0 0 0 0 0

		Total # of neighbors = 8195
		Ave neighs/atom = 2.04875
		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 2PIelapsed/20000.0
		run 3000
		Per MPI rank memory allocation (min/avg/max) = 24.81 \| 24.81 \| 24.81 Mbytes
		Step Atoms KinEng v_theta
		2000 4000 64.333531 0
		2100 4000 106.69182 0.031415927
		2200 4000 121.8461 0.062831853
		2300 4000 88.767952 0.09424778
		2400 4000 82.850721 0.12566371
		2500 4000 91.683284 0.15707963
		2600 4000 31.56344 0.18849556
		2700 4000 4.5697672 0.21991149
		2800 4000 3.9879051 0.25132741
		2900 4000 4.4394235 0.28274334
		3000 4000 5.1212931 0.31415927
		3100 4000 5.8608892 0.34557519
		3200 4000 6.600714 0.37699112
		3300 4000 7.3497851 0.40840704
		3400 4000 8.0490988 0.43982297
		3500 4000 8.6712396 0.4712389
		3600 4000 9.1328667 0.50265482
		3700 4000 9.4683561 0.53407075
		3800 4000 9.5878145 0.56548668
		3900 4000 9.387745 0.5969026
		4000 4000 8.9117631 0.62831853
		4100 4000 8.2344368 0.65973446
		4200 4000 7.5335088 0.69115038
		4300 4000 6.8426179 0.72256631
		4400 4000 6.0567247 0.75398224
		4500 4000 5.4166132 0.78539816
		4600 4000 4.6012409 0.81681409
		4700 4000 3.8314982 0.84823002
		4800 4000 3.1916415 0.87964594
		4900 4000 2.7833964 0.91106187
		5000 4000 2.5051362 0.9424778
		Loop time of 11.9545 on 1 procs for 3000 steps with 4000 atoms

		Performance: 21682.142 tau/day, 250.951 timesteps/s
		99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

		MPI task timing breakdown:
		Section \| min time \| avg time \| max time \|%varavg\| %total
		---------------------------------------------------------------
		Pair \| 4.8291 \| 4.8291 \| 4.8291 \| 0.0 \| 40.40
		Neigh \| 2.7489 \| 2.7489 \| 2.7489 \| 0.0 \| 22.99
		Comm \| 0.071249 \| 0.071249 \| 0.071249 \| 0.0 \| 0.60
		Output \| 0.20547 \| 0.20547 \| 0.20547 \| 0.0 \| 1.72
		Modify \| 4.0179 \| 4.0179 \| 4.0179 \| 0.0 \| 33.61
		Other \| \| 0.0819 \| \| \| 0.69

		Nlocal: 4000 ave 4000 max 4000 min
		Histogram: 1 0 0 0 0 0 0 0 0 0
		Nghost: 322 ave 322 max 322 min
		Histogram: 1 0 0 0 0 0 0 0 0 0
		Neighs: 14849 ave 14849 max 14849 min
		Histogram: 1 0 0 0 0 0 0 0 0 0

		Total # of neighbors = 14849
		Ave neighs/atom = 3.71225
		Neighbor list builds = 1290
		Dangerous builds = 672
		Total wall time: 0:00:15

examples/granular/log.29Mar19.pour.drum.g++.4

0 → 100644

+271 −0

Original line number	Diff line number	Diff line
		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) into cylinder
		# 'turn' cylinder by changing direction of gravity, then rotate it.
		# This simulates a rotating drum powder characterization experiment.

		variable name string rotating_drum_two_types

		atom_style sphere
		units lj

		###############################################
		# Geometry-related parameters
		###############################################

		variable boxx equal 30
		variable boxy equal 30
		variable boxz equal 50

		variable drum_rad equal ${boxx}*0.5
		variable drum_rad equal 30*0.5
		variable drum_height equal 20

		variable xc equal 0.5*${boxx}
		variable xc equal 0.5*30
		variable yc equal 0.5*${boxx}
		variable yc equal 0.5*30
		variable zc equal 0.5*${boxz}
		variable zc equal 0.5*50

		###############################################
		# 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 cyl_rad_inner equal ${drum_rad}-1.1*${rhi}
		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 2PIelapsed/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

examples/granular/log.29Mar19.pour.flatwall.g++.1

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