forked from lijiext/lammps
218 lines
9.4 KiB
Groff
218 lines
9.4 KiB
Groff
LAMMPS (16 Mar 2018)
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OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
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using 1 OpenMP thread(s) per MPI task
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# Crack growth in notched 3D Peridynamic block
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# Mesh spacing
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variable h equal 5.00e-4
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# Peridynamic horizon
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variable delta equal 3.0*${h}
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variable delta equal 3.0*0.0005
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# Height of plate (meters)
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variable height equal 31.5*${h}
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variable height equal 31.5*0.0005
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# Width of plate (meters)
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variable width equal 39.5*${h}
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variable width equal 39.5*0.0005
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# Thickness of plate (meters)
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variable depth equal 24.5*${h}
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variable depth equal 24.5*0.0005
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# Height of notch
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variable crackheight equal 10*${h}
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variable crackheight equal 10*0.0005
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# Density of plate
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variable mydensity equal 2440.0
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# Elastic modulus of material
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variable myE equal 72.0e9
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# Strain energy release rate at branching
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variable myG equal 135.0
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# constant, but define it as a variable here
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variable pi equal 3.14159265358979323846
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units si
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boundary s s s
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atom_style peri
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atom_modify map array
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variable myskin equal 2.0*${h}
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variable myskin equal 2.0*0.0005
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neighbor ${myskin} bin
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neighbor 0.001 bin
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lattice sc $h
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lattice sc 0.0005
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Lattice spacing in x,y,z = 0.0005 0.0005 0.0005
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variable myxmin equal 0.0
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variable myxmax equal ${width}
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variable myxmax equal 0.01975
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variable myymin equal 0.0
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variable myymax equal ${height}
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variable myymax equal 0.01575
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variable myzmin equal 0.0
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variable myzmax equal ${depth}
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variable myzmax equal 0.01225
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region plate block ${myxmin} ${myxmax} ${myymin} ${myymax} ${myzmin} ${myzmax} units box
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region plate block 0 ${myxmax} ${myymin} ${myymax} ${myzmin} ${myzmax} units box
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region plate block 0 0.01975 ${myymin} ${myymax} ${myzmin} ${myzmax} units box
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region plate block 0 0.01975 0 ${myymax} ${myzmin} ${myzmax} units box
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region plate block 0 0.01975 0 0.01575 ${myzmin} ${myzmax} units box
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region plate block 0 0.01975 0 0.01575 0 ${myzmax} units box
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region plate block 0 0.01975 0 0.01575 0 0.01225 units box
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create_box 3 plate
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Created orthogonal box = (0 0 0) to (0.01975 0.01575 0.01225)
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1 by 1 by 1 MPI processor grid
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create_atoms 1 region plate
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Created 32000 atoms
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Time spent = 0.00362897 secs
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pair_style peri/pmb
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variable myk equal (2.0/3.0)*${myE}
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variable myk equal (2.0/3.0)*72000000000
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variable myc equal ((18.0*${myk})/(${pi}*(${delta}^4)))
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variable myc equal ((18.0*48000000000)/(${pi}*(${delta}^4)))
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variable myc equal ((18.0*48000000000)/(3.14159265358979*(${delta}^4)))
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variable myc equal ((18.0*48000000000)/(3.14159265358979*(0.0015^4)))
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variable mydelta equal (${delta}+(${delta}/100.0))
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variable mydelta equal (0.0015+(${delta}/100.0))
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variable mydelta equal (0.0015+(0.0015/100.0))
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variable mys0 equal sqrt((5.0*${myG})/(9.0*${myk}*${delta}))
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variable mys0 equal sqrt((5.0*135)/(9.0*${myk}*${delta}))
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variable mys0 equal sqrt((5.0*135)/(9.0*48000000000*${delta}))
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variable mys0 equal sqrt((5.0*135)/(9.0*48000000000*0.0015))
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variable tmpvar1 equal ${myymax}-${crackheight}
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variable tmpvar1 equal 0.01575-${crackheight}
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variable tmpvar1 equal 0.01575-0.005
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variable tmpvar2 equal 0.5*${width}
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variable tmpvar2 equal 0.5*0.01975
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region topleft block 0.0 ${tmpvar2} ${tmpvar1} ${myymax} ${myzmin} ${myzmax} units box
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region topleft block 0.0 0.009875 ${tmpvar1} ${myymax} ${myzmin} ${myzmax} units box
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region topleft block 0.0 0.009875 0.01075 ${myymax} ${myzmin} ${myzmax} units box
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region topleft block 0.0 0.009875 0.01075 0.01575 ${myzmin} ${myzmax} units box
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region topleft block 0.0 0.009875 0.01075 0.01575 0 ${myzmax} units box
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region topleft block 0.0 0.009875 0.01075 0.01575 0 0.01225 units box
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region topright block ${tmpvar2} ${myxmax} ${tmpvar1} ${myymax} ${myzmin} ${myzmax} units box
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region topright block 0.009875 ${myxmax} ${tmpvar1} ${myymax} ${myzmin} ${myzmax} units box
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region topright block 0.009875 0.01975 ${tmpvar1} ${myymax} ${myzmin} ${myzmax} units box
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region topright block 0.009875 0.01975 0.01075 ${myymax} ${myzmin} ${myzmax} units box
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region topright block 0.009875 0.01975 0.01075 0.01575 ${myzmin} ${myzmax} units box
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region topright block 0.009875 0.01975 0.01075 0.01575 0 ${myzmax} units box
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region topright block 0.009875 0.01975 0.01075 0.01575 0 0.01225 units box
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set region topleft type 2
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5000 settings made for type
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set region topright type 3
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5000 settings made for type
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pair_coeff 1 1 ${myc} ${mydelta} ${mys0} 0.0
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pair_coeff 1 1 5.43248872420337e+22 ${mydelta} ${mys0} 0.0
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pair_coeff 1 1 5.43248872420337e+22 0.001515 ${mys0} 0.0
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pair_coeff 1 1 5.43248872420337e+22 0.001515 0.00102062072615966 0.0
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pair_coeff 2 2 ${myc} ${mydelta} ${mys0} 0.0
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pair_coeff 2 2 5.43248872420337e+22 ${mydelta} ${mys0} 0.0
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pair_coeff 2 2 5.43248872420337e+22 0.001515 ${mys0} 0.0
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pair_coeff 2 2 5.43248872420337e+22 0.001515 0.00102062072615966 0.0
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pair_coeff 3 3 ${myc} ${mydelta} ${mys0} 0.0
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pair_coeff 3 3 5.43248872420337e+22 ${mydelta} ${mys0} 0.0
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pair_coeff 3 3 5.43248872420337e+22 0.001515 ${mys0} 0.0
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pair_coeff 3 3 5.43248872420337e+22 0.001515 0.00102062072615966 0.0
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pair_coeff 2 3 ${myc} 0.0 ${mys0} 0.0
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pair_coeff 2 3 5.43248872420337e+22 0.0 ${mys0} 0.0
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pair_coeff 2 3 5.43248872420337e+22 0.0 0.00102062072615966 0.0
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pair_coeff 1 2 ${myc} ${mydelta} ${mys0} 0.0
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pair_coeff 1 2 5.43248872420337e+22 ${mydelta} ${mys0} 0.0
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pair_coeff 1 2 5.43248872420337e+22 0.001515 ${mys0} 0.0
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pair_coeff 1 2 5.43248872420337e+22 0.001515 0.00102062072615966 0.0
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pair_coeff 1 3 ${myc} ${mydelta} ${mys0} 0.0
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pair_coeff 1 3 5.43248872420337e+22 ${mydelta} ${mys0} 0.0
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pair_coeff 1 3 5.43248872420337e+22 0.001515 ${mys0} 0.0
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pair_coeff 1 3 5.43248872420337e+22 0.001515 0.00102062072615966 0.0
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set group all density ${mydensity}
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set group all density 2440
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32000 settings made for density
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variable myvolume equal ($h)^3
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variable myvolume equal (0.0005)^3
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set group all volume ${myvolume}
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set group all volume 1.25e-10
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32000 settings made for volume
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velocity all set 0.0 0.0 0.0 sum no units box
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fix F1 all nve
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compute C1 all damage/atom
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velocity all ramp vx -10.0 10.0 x ${myxmin} ${myxmax} units box
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velocity all ramp vx -10.0 10.0 x 0 ${myxmax} units box
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velocity all ramp vx -10.0 10.0 x 0 0.01975 units box
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variable mystep equal 0.8*sqrt((2.0*${mydensity})/(512*(${myc}/$h)*${myvolume}))
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variable mystep equal 0.8*sqrt((2.0*2440)/(512*(${myc}/$h)*${myvolume}))
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variable mystep equal 0.8*sqrt((2.0*2440)/(512*(5.43248872420337e+22/$h)*${myvolume}))
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variable mystep equal 0.8*sqrt((2.0*2440)/(512*(5.43248872420337e+22/0.0005)*${myvolume}))
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variable mystep equal 0.8*sqrt((2.0*2440)/(512*(5.43248872420337e+22/0.0005)*1.25e-10))
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timestep ${mystep}
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timestep 2.11931492396226e-08
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thermo 20
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run 100
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Neighbor list info ...
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update every 1 steps, delay 10 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 0.002515
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ghost atom cutoff = 0.002515
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binsize = 0.0012575, bins = 16 13 10
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2 neighbor lists, perpetual/occasional/extra = 1 1 0
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(1) pair peri/pmb, perpetual
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attributes: half, newton on
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pair build: half/bin/atomonly/newton
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stencil: half/bin/3d/newton
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bin: standard
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(2) fix PERI_NEIGH, occasional
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attributes: full, newton on
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pair build: full/bin/atomonly
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stencil: full/bin/3d
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bin: standard
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Peridynamic bonds:
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total # of bonds = 3457032
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bonds/atom = 108.032
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Per MPI rank memory allocation (min/avg/max) = 133.6 | 133.6 | 133.6 Mbytes
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Step Temp E_pair E_mol TotEng Press Volume
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0 2.0134233e+27 0 0 1.3342785e+09 2.4509971e+14 3.6292128e-06
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20 1.7695805e+27 1.6163291e+08 0 1.3343188e+09 2.1541601e+14 3.6292128e-06
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40 1.3041477e+27 4.6848143e+08 0 1.332729e+09 1.5875756e+14 3.6292128e-06
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60 9.8975313e+26 5.7284448e+08 0 1.2287455e+09 1.2048543e+14 3.6292128e-06
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80 9.3888573e+26 4.0928092e+08 0 1.0314725e+09 1.1429321e+14 3.6292128e-06
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100 8.3930314e+26 3.8522361e+08 0 9.4142265e+08 1.0217075e+14 3.6292128e-06
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Loop time of 11.0398 on 1 procs for 100 steps with 32000 atoms
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99.8% 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 | 11.005 | 11.005 | 11.005 | 0.0 | 99.68
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Neigh | 0 | 0 | 0 | 0.0 | 0.00
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Comm | 6.6042e-05 | 6.6042e-05 | 6.6042e-05 | 0.0 | 0.00
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Output | 0.00057292 | 0.00057292 | 0.00057292 | 0.0 | 0.01
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Modify | 0.0256 | 0.0256 | 0.0256 | 0.0 | 0.23
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Other | | 0.008592 | | | 0.08
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Nlocal: 32000 ave 32000 max 32000 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 0 ave 0 max 0 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 6.74442e+06 ave 6.74442e+06 max 6.74442e+06 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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FullNghs: 1.34888e+07 ave 1.34888e+07 max 1.34888e+07 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 13488836
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Ave neighs/atom = 421.526
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Neighbor list builds = 0
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Dangerous builds = 0
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Please see the log.cite file for references relevant to this simulation
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Total wall time: 0:00:11
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