LAMMPS (9 Oct 2020)
  using 1 OpenMP thread(s) per MPI task
# Crack growth in notched 3D Peridynamic block

# Mesh spacing
variable    	h equal 5.00e-4
# Peridynamic horizon
variable    	delta equal 3.0*${h}
variable    	delta equal 3.0*0.0005
# Height of plate (meters)
variable    	height equal 31.5*${h}
variable    	height equal 31.5*0.0005
# Width of plate (meters)
variable    	width equal 39.5*${h}
variable    	width equal 39.5*0.0005
# Thickness of plate (meters)
variable    	depth equal 24.5*${h}
variable    	depth equal 24.5*0.0005
# Height of notch
variable	crackheight equal 10*${h}
variable	crackheight equal 10*0.0005
# Density of plate
variable	mydensity equal 2440.0
# Elastic modulus of material
variable	myE equal 72.0e9
# Strain energy release rate at branching
variable	myG equal 135.0
# constant, but define it as a variable here
variable    	pi equal 3.14159265358979323846

units 		si
boundary        s s s
atom_style      peri
atom_modify	map array
variable 	myskin equal 2.0*${h}
variable 	myskin equal 2.0*0.0005
neighbor	${myskin} bin
neighbor	0.001 bin

lattice         sc $h
lattice         sc 0.0005
Lattice spacing in x,y,z = 0.0005 0.0005 0.0005
variable	myxmin equal 0.0
variable	myxmax equal ${width}
variable	myxmax equal 0.01975
variable	myymin equal 0.0
variable	myymax equal ${height}
variable	myymax equal 0.01575
variable	myzmin equal 0.0
variable	myzmax equal ${depth}
variable	myzmax equal 0.01225
region          plate block 		${myxmin} ${myxmax} ${myymin} ${myymax} ${myzmin} ${myzmax} 		units box
region          plate block 		0 ${myxmax} ${myymin} ${myymax} ${myzmin} ${myzmax} 		units box
region          plate block 		0 0.01975 ${myymin} ${myymax} ${myzmin} ${myzmax} 		units box
region          plate block 		0 0.01975 0 ${myymax} ${myzmin} ${myzmax} 		units box
region          plate block 		0 0.01975 0 0.01575 ${myzmin} ${myzmax} 		units box
region          plate block 		0 0.01975 0 0.01575 0 ${myzmax} 		units box
region          plate block 		0 0.01975 0 0.01575 0 0.01225 		units box
create_box      3 plate
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (0.01975 0.01575 0.01225)
  2 by 2 by 1 MPI processor grid
create_atoms    1 region plate
Created 32000 atoms
  create_atoms CPU = 0.001 seconds


pair_style      peri/pmb
variable	myk equal (2.0/3.0)*${myE}
variable	myk equal (2.0/3.0)*72000000000

variable	myc equal ((18.0*${myk})/(${pi}*(${delta}^4)))
variable	myc equal ((18.0*48000000000)/(${pi}*(${delta}^4)))
variable	myc equal ((18.0*48000000000)/(3.14159265358979*(${delta}^4)))
variable	myc equal ((18.0*48000000000)/(3.14159265358979*(0.0015^4)))
variable	mydelta equal (${delta}+(${delta}/100.0))
variable	mydelta equal (0.0015+(${delta}/100.0))
variable	mydelta equal (0.0015+(0.0015/100.0))
variable	mys0 equal sqrt((5.0*${myG})/(9.0*${myk}*${delta}))
variable	mys0 equal sqrt((5.0*135)/(9.0*${myk}*${delta}))
variable	mys0 equal sqrt((5.0*135)/(9.0*48000000000*${delta}))
variable	mys0 equal sqrt((5.0*135)/(9.0*48000000000*0.0015))

variable	tmpvar1 equal ${myymax}-${crackheight}
variable	tmpvar1 equal 0.01575-${crackheight}
variable	tmpvar1 equal 0.01575-0.005
variable	tmpvar2 equal 0.5*${width}
variable	tmpvar2 equal 0.5*0.01975

region		topleft  block 		0.0 ${tmpvar2} ${tmpvar1} ${myymax} ${myzmin} ${myzmax} 		units box
region		topleft  block 		0.0 0.009875 ${tmpvar1} ${myymax} ${myzmin} ${myzmax} 		units box
region		topleft  block 		0.0 0.009875 0.01075 ${myymax} ${myzmin} ${myzmax} 		units box
region		topleft  block 		0.0 0.009875 0.01075 0.01575 ${myzmin} ${myzmax} 		units box
region		topleft  block 		0.0 0.009875 0.01075 0.01575 0 ${myzmax} 		units box
region		topleft  block 		0.0 0.009875 0.01075 0.01575 0 0.01225 		units box
region		topright block 		${tmpvar2} ${myxmax} ${tmpvar1} ${myymax} ${myzmin} ${myzmax} 		units box
region		topright block 		0.009875 ${myxmax} ${tmpvar1} ${myymax} ${myzmin} ${myzmax} 		units box
region		topright block 		0.009875 0.01975 ${tmpvar1} ${myymax} ${myzmin} ${myzmax} 		units box
region		topright block 		0.009875 0.01975 0.01075 ${myymax} ${myzmin} ${myzmax} 		units box
region		topright block 		0.009875 0.01975 0.01075 0.01575 ${myzmin} ${myzmax} 		units box
region		topright block 		0.009875 0.01975 0.01075 0.01575 0 ${myzmax} 		units box
region		topright block 		0.009875 0.01975 0.01075 0.01575 0 0.01225 		units box
set 		region topleft  type 2
Setting atom values ...
  5000 settings made for type
set 		region topright type 3
Setting atom values ...
  5000 settings made for type
pair_coeff      1 1 ${myc} ${mydelta} ${mys0} 0.0
pair_coeff      1 1 5.43248872420337e+22 ${mydelta} ${mys0} 0.0
pair_coeff      1 1 5.43248872420337e+22 0.001515 ${mys0} 0.0
pair_coeff      1 1 5.43248872420337e+22 0.001515 0.00102062072615966 0.0
pair_coeff      2 2 ${myc} ${mydelta} ${mys0} 0.0
pair_coeff      2 2 5.43248872420337e+22 ${mydelta} ${mys0} 0.0
pair_coeff      2 2 5.43248872420337e+22 0.001515 ${mys0} 0.0
pair_coeff      2 2 5.43248872420337e+22 0.001515 0.00102062072615966 0.0
pair_coeff      3 3 ${myc} ${mydelta} ${mys0} 0.0
pair_coeff      3 3 5.43248872420337e+22 ${mydelta} ${mys0} 0.0
pair_coeff      3 3 5.43248872420337e+22 0.001515 ${mys0} 0.0
pair_coeff      3 3 5.43248872420337e+22 0.001515 0.00102062072615966 0.0
pair_coeff      2 3 ${myc}        0.0 ${mys0} 0.0
pair_coeff      2 3 5.43248872420337e+22        0.0 ${mys0} 0.0
pair_coeff      2 3 5.43248872420337e+22        0.0 0.00102062072615966 0.0
pair_coeff      1 2 ${myc} ${mydelta} ${mys0} 0.0
pair_coeff      1 2 5.43248872420337e+22 ${mydelta} ${mys0} 0.0
pair_coeff      1 2 5.43248872420337e+22 0.001515 ${mys0} 0.0
pair_coeff      1 2 5.43248872420337e+22 0.001515 0.00102062072615966 0.0
pair_coeff      1 3 ${myc} ${mydelta} ${mys0} 0.0
pair_coeff      1 3 5.43248872420337e+22 ${mydelta} ${mys0} 0.0
pair_coeff      1 3 5.43248872420337e+22 0.001515 ${mys0} 0.0
pair_coeff      1 3 5.43248872420337e+22 0.001515 0.00102062072615966 0.0
set             group all density ${mydensity}
set             group all density 2440
Setting atom values ...
  32000 settings made for density
variable	myvolume equal ($h)^3
variable	myvolume equal (0.0005)^3
set             group all volume ${myvolume}
set             group all volume 1.25e-10
Setting atom values ...
  32000 settings made for volume

velocity        all set 0.0 0.0 0.0 sum no units box

fix             F1 all nve

compute         C1 all damage/atom

velocity 	all ramp vx -10.0 10.0 x ${myxmin} ${myxmax} units box
velocity 	all ramp vx -10.0 10.0 x 0 ${myxmax} units box
velocity 	all ramp vx -10.0 10.0 x 0 0.01975 units box

variable	mystep equal 		0.8*sqrt((2.0*${mydensity})/(512*(${myc}/$h)*${myvolume}))
variable	mystep equal 		0.8*sqrt((2.0*2440)/(512*(${myc}/$h)*${myvolume}))
variable	mystep equal 		0.8*sqrt((2.0*2440)/(512*(5.43248872420337e+22/$h)*${myvolume}))
variable	mystep equal 		0.8*sqrt((2.0*2440)/(512*(5.43248872420337e+22/0.0005)*${myvolume}))
variable	mystep equal 		0.8*sqrt((2.0*2440)/(512*(5.43248872420337e+22/0.0005)*1.25e-10))
timestep        ${mystep}
timestep        2.11931492396226e-08
thermo		20

run             100
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 0.002515
  ghost atom cutoff = 0.002515
  binsize = 0.0012575, bins = 16 13 10
  2 neighbor lists, perpetual/occasional/extra = 1 1 0
  (1) pair peri/pmb, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
  (2) fix PERI_NEIGH, occasional
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Peridynamic bonds:
  total # of bonds = 3457032
  bonds/atom = 108.032
Per MPI rank memory allocation (min/avg/max) = 47.70 | 48.18 | 48.85 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
       0 2.0134233e+27            0            0 1.3342785e+09 2.4509971e+14 3.6292128e-06 
      20 1.7695805e+27 1.6163291e+08            0 1.3343188e+09 2.1541601e+14 3.6292128e-06 
      40 1.3041477e+27 4.6848143e+08            0 1.332729e+09 1.5875756e+14 3.6292128e-06 
      60 9.8975313e+26 5.7284448e+08            0 1.2287455e+09 1.2048543e+14 3.6292128e-06 
      80 9.3888573e+26 4.0928092e+08            0 1.0314725e+09 1.1429321e+14 3.6292128e-06 
     100 8.3930314e+26 3.8522361e+08            0 9.4142265e+08 1.0217075e+14 3.6292128e-06 
Loop time of 2.82804 on 4 procs for 100 steps with 32000 atoms

97.9% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 2.6021     | 2.6599     | 2.7081     |   2.4 | 94.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10341    | 0.15313    | 0.21057    |  10.3 |  5.41
Output  | 0.00020409 | 0.00041658 | 0.00093699 |   0.0 |  0.01
Modify  | 0.008944   | 0.0092288  | 0.0095088  |   0.3 |  0.33
Other   |            | 0.005395   |            |       |  0.19

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost:        5125.00 ave        5125 max        5125 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs:    1.68610e+06 ave 1.77502e+06 max 1.60625e+06 min
Histogram: 2 0 0 0 0 0 0 0 1 1
FullNghs:  3.37221e+06 ave 3.41832e+06 max  3.3261e+06 min
Histogram: 2 0 0 0 0 0 0 0 0 2

Total # of neighbors = 13488836
Ave neighs/atom = 421.52612
Neighbor list builds = 0
Dangerous builds = 0

Please see the log.cite file for references relevant to this simulation

Total wall time: 0:00:02
