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 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
