From 14f1d646ad76653d8cee44489fc9504f5917a0f6 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 14 Jul 2017 13:44:12 -0400 Subject: [PATCH] provide working examples for all four peridynamics models and reference outputs --- examples/peri/{in.peri => in.peri-pmb} | 0 examples/peri/in.peri.eps | 45 +++++++ examples/peri/in.peri.lps | 45 +++++++ examples/peri/in.peri.pmb | 45 +++++++ examples/peri/in.peri.ves | 45 +++++++ examples/peri/log.6Jul17.peri.eps.g++.1 | 115 ++++++++++++++++++ examples/peri/log.6Jul17.peri.eps.g++.4 | 115 ++++++++++++++++++ examples/peri/log.6Jul17.peri.lps.g++.1 | 115 ++++++++++++++++++ examples/peri/log.6Jul17.peri.lps.g++.4 | 115 ++++++++++++++++++ ...6.peri.g++.1 => log.6Jul17.peri.pmb.g++.1} | 57 +++++---- ...6.peri.g++.4 => log.6Jul17.peri.pmb.g++.4} | 67 +++++----- examples/peri/log.6Jul17.peri.ves.g++.1 | 115 ++++++++++++++++++ examples/peri/log.6Jul17.peri.ves.g++.4 | 115 ++++++++++++++++++ 13 files changed, 943 insertions(+), 51 deletions(-) rename examples/peri/{in.peri => in.peri-pmb} (100%) create mode 100644 examples/peri/in.peri.eps create mode 100644 examples/peri/in.peri.lps create mode 100644 examples/peri/in.peri.pmb create mode 100644 examples/peri/in.peri.ves create mode 100644 examples/peri/log.6Jul17.peri.eps.g++.1 create mode 100644 examples/peri/log.6Jul17.peri.eps.g++.4 create mode 100644 examples/peri/log.6Jul17.peri.lps.g++.1 create mode 100644 examples/peri/log.6Jul17.peri.lps.g++.4 rename examples/peri/{log.5Oct16.peri.g++.1 => log.6Jul17.peri.pmb.g++.1} (62%) rename examples/peri/{log.5Oct16.peri.g++.4 => log.6Jul17.peri.pmb.g++.4} (58%) create mode 100644 examples/peri/log.6Jul17.peri.ves.g++.1 create mode 100644 examples/peri/log.6Jul17.peri.ves.g++.4 diff --git a/examples/peri/in.peri b/examples/peri/in.peri-pmb similarity index 100% rename from examples/peri/in.peri rename to examples/peri/in.peri-pmb diff --git a/examples/peri/in.peri.eps b/examples/peri/in.peri.eps new file mode 100644 index 0000000000..5ddea41722 --- /dev/null +++ b/examples/peri/in.peri.eps @@ -0,0 +1,45 @@ +# small Peridynamic cylinder hit by projectile + +units si +boundary s s s +atom_style peri +atom_modify map array +neighbor 0.0010 bin + +# small target + +lattice sc 0.0005 +region target cylinder y 0.0 0.0 0.0050 -0.0050 0.0 units box +create_box 1 target +create_atoms 1 region target + +pair_style peri/eps +pair_coeff * * 14.9e9 14.9e9 0.0015001 0.0005 0.25 10.0e8 +set group all density 2200 +set group all volume 1.25e-10 +velocity all set 0.0 0.0 0.0 sum no units box +fix 1 all nve + +# spherical indenter to shatter target + +variable y0 equal 0.00155 +variable vy equal -100 +variable y equal "v_y0 + step*dt*v_vy" + +fix 2 all indent 1e17 sphere 0.0000 v_y 0.0000 0.0015 units box + +compute 1 all damage/atom +timestep 1.0e-7 +thermo 100 + +#dump 1 all custom 100 dump.peri id type x y z c_1 + +#dump 2 all image 50 image.*.jpg type type & +# axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 2 pad 4 + +#dump 3 all movie 50 movie.mpg type type & +# axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 3 pad 4 + +run 1000 diff --git a/examples/peri/in.peri.lps b/examples/peri/in.peri.lps new file mode 100644 index 0000000000..af0462b5d4 --- /dev/null +++ b/examples/peri/in.peri.lps @@ -0,0 +1,45 @@ +# small Peridynamic cylinder hit by projectile + +units si +boundary s s s +atom_style peri +atom_modify map array +neighbor 0.0010 bin + +# small target + +lattice sc 0.0005 +region target cylinder y 0.0 0.0 0.0050 -0.0050 0.0 units box +create_box 1 target +create_atoms 1 region target + +pair_style peri/lps +pair_coeff * * 14.9e9 14.9e9 0.0015001 0.0005 0.25 +set group all density 2200 +set group all volume 1.25e-10 +velocity all set 0.0 0.0 0.0 sum no units box +fix 1 all nve + +# spherical indenter to shatter target + +variable y0 equal 0.00155 +variable vy equal -100 +variable y equal "v_y0 + step*dt*v_vy" + +fix 2 all indent 1e17 sphere 0.0000 v_y 0.0000 0.0015 units box + +compute 1 all damage/atom +timestep 1.0e-7 +thermo 100 + +#dump 1 all custom 100 dump.peri id type x y z c_1 + +#dump 2 all image 50 image.*.jpg type type & +# axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 2 pad 4 + +#dump 3 all movie 50 movie.mpg type type & +# axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 3 pad 4 + +run 1000 diff --git a/examples/peri/in.peri.pmb b/examples/peri/in.peri.pmb new file mode 100644 index 0000000000..f9f5d54231 --- /dev/null +++ b/examples/peri/in.peri.pmb @@ -0,0 +1,45 @@ +# small Peridynamic cylinder hit by projectile + +units si +boundary s s s +atom_style peri +atom_modify map array +neighbor 0.0010 bin + +# small target + +lattice sc 0.0005 +region target cylinder y 0.0 0.0 0.0050 -0.0050 0.0 units box +create_box 1 target +create_atoms 1 region target + +pair_style peri/pmb +pair_coeff * * 1.6863e22 0.0015001 0.0005 0.25 +set group all density 2200 +set group all volume 1.25e-10 +velocity all set 0.0 0.0 0.0 sum no units box +fix 1 all nve + +# spherical indenter to shatter target + +variable y0 equal 0.00155 +variable vy equal -100 +variable y equal "v_y0 + step*dt*v_vy" + +fix 2 all indent 1e17 sphere 0.0000 v_y 0.0000 0.0015 units box + +compute 1 all damage/atom +timestep 1.0e-7 +thermo 100 + +#dump 1 all custom 100 dump.peri id type x y z c_1 + +#dump 2 all image 50 image.*.jpg type type & +# axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 2 pad 4 + +#dump 3 all movie 50 movie.mpg type type & +# axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 3 pad 4 + +run 1000 diff --git a/examples/peri/in.peri.ves b/examples/peri/in.peri.ves new file mode 100644 index 0000000000..3787e676a4 --- /dev/null +++ b/examples/peri/in.peri.ves @@ -0,0 +1,45 @@ +# small Peridynamic cylinder hit by projectile + +units si +boundary s s s +atom_style peri +atom_modify map array +neighbor 0.0010 bin + +# small target + +lattice sc 0.0005 +region target cylinder y 0.0 0.0 0.0050 -0.0050 0.0 units box +create_box 1 target +create_atoms 1 region target + +pair_style peri/ves +pair_coeff * * 14.9e9 14.9e9 0.0015001 0.0005 0.25 0.5 0.001 +set group all density 2200 +set group all volume 1.25e-10 +velocity all set 0.0 0.0 0.0 sum no units box +fix 1 all nve + +# spherical indenter to shatter target + +variable y0 equal 0.00155 +variable vy equal -100 +variable y equal "v_y0 + step*dt*v_vy" + +fix 2 all indent 1e17 sphere 0.0000 v_y 0.0000 0.0015 units box + +compute 1 all damage/atom +timestep 1.0e-7 +thermo 100 + +#dump 1 all custom 100 dump.peri id type x y z c_1 + +#dump 2 all image 50 image.*.jpg type type & +# axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 2 pad 4 + +#dump 3 all movie 50 movie.mpg type type & +# axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 3 pad 4 + +run 1000 diff --git a/examples/peri/log.6Jul17.peri.eps.g++.1 b/examples/peri/log.6Jul17.peri.eps.g++.1 new file mode 100644 index 0000000000..6aa4314d53 --- /dev/null +++ b/examples/peri/log.6Jul17.peri.eps.g++.1 @@ -0,0 +1,115 @@ +LAMMPS (6 Jul 2017) + using 1 OpenMP thread(s) per MPI task +# small Peridynamic cylinder hit by projectile + +units si +boundary s s s +atom_style peri +atom_modify map array +neighbor 0.0010 bin + +# small target + +lattice sc 0.0005 +Lattice spacing in x,y,z = 0.0005 0.0005 0.0005 +region target cylinder y 0.0 0.0 0.0050 -0.0050 0.0 units box +create_box 1 target +Created orthogonal box = (-0.005 -0.005 -0.005) to (0.005 0 0.005) + 1 by 1 by 1 MPI processor grid +create_atoms 1 region target +Created 3487 atoms + +pair_style peri/eps +pair_coeff * * 14.9e9 14.9e9 0.0015001 0.0005 0.25 10.0e8 +set group all density 2200 + 3487 settings made for density +set group all volume 1.25e-10 + 3487 settings made for volume +velocity all set 0.0 0.0 0.0 sum no units box +fix 1 all nve + +# spherical indenter to shatter target + +variable y0 equal 0.00155 +variable vy equal -100 +variable y equal "v_y0 + step*dt*v_vy" + +fix 2 all indent 1e17 sphere 0.0000 v_y 0.0000 0.0015 units box + +compute 1 all damage/atom +timestep 1.0e-7 +thermo 100 + +#dump 1 all custom 100 dump.peri id type x y z c_1 + +#dump 2 all image 50 image.*.jpg type type # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 2 pad 4 + +#dump 3 all movie 50 movie.mpg type type # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 3 pad 4 + +run 1000 +Neighbor list info ... + update every 1 steps, delay 10 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 0.0025001 + ghost atom cutoff = 0.0025001 + binsize = 0.00125005, bins = 9 5 9 + 2 neighbor lists, perpetual/occasional/extra = 1 1 0 + (1) pair peri/eps, 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 = 335966 + bonds/atom = 96.3482 +Per MPI rank memory allocation (min/avg/max) = 50.29 | 50.29 | 50.29 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0 0 0 0 0 5.0030006e-07 + 100 8.3466308e+24 247103.03 0 849681.45 8.0295601e+11 5.0030006e-07 + 200 1.1784921e+27 1098605.6 0 86178912 1.0246967e+14 5.5353162e-07 + 300 2.6263212e+27 4118581.6 0 1.9372377e+08 1.662415e+14 7.6036043e-07 + 400 3.3085888e+27 9397203.3 0 2.4825816e+08 1.561692e+14 1.0196674e-06 + 500 3.9151799e+27 18408722 0 3.0106204e+08 1.5298661e+14 1.2317127e-06 + 600 6.2936721e+27 11346143 0 4.6571282e+08 1.9645007e+14 1.5419242e-06 + 700 1.2721597e+28 3830223.2 0 9.2225588e+08 3.0235577e+14 2.0250441e-06 + 800 1.3190107e+28 2831668.7 0 9.5508099e+08 2.4853932e+14 2.5542553e-06 + 900 1.3166045e+28 1911868.6 0 9.524241e+08 1.9729649e+14 3.2117896e-06 + 1000 1.3159578e+28 1995827.6 0 9.5204114e+08 1.6722163e+14 3.7875695e-06 +Loop time of 72.5574 on 1 procs for 1000 steps with 3487 atoms + +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 | 71.779 | 71.779 | 71.779 | 0.0 | 98.93 +Neigh | 0.5596 | 0.5596 | 0.5596 | 0.0 | 0.77 +Comm | 0.0040631 | 0.0040631 | 0.0040631 | 0.0 | 0.01 +Output | 0.00056624 | 0.00056624 | 0.00056624 | 0.0 | 0.00 +Modify | 0.18403 | 0.18403 | 0.18403 | 0.0 | 0.25 +Other | | 0.03016 | | | 0.04 + +Nlocal: 3487 ave 3487 max 3487 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 0 ave 0 max 0 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 569177 ave 569177 max 569177 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +FullNghs: 1.20908e+06 ave 1.20908e+06 max 1.20908e+06 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 1209076 +Ave neighs/atom = 346.738 +Neighbor list builds = 40 +Dangerous builds = 0 + +Please see the log.cite file for references relevant to this simulation + +Total wall time: 0:01:12 diff --git a/examples/peri/log.6Jul17.peri.eps.g++.4 b/examples/peri/log.6Jul17.peri.eps.g++.4 new file mode 100644 index 0000000000..1423ec4637 --- /dev/null +++ b/examples/peri/log.6Jul17.peri.eps.g++.4 @@ -0,0 +1,115 @@ +LAMMPS (6 Jul 2017) + using 1 OpenMP thread(s) per MPI task +# small Peridynamic cylinder hit by projectile + +units si +boundary s s s +atom_style peri +atom_modify map array +neighbor 0.0010 bin + +# small target + +lattice sc 0.0005 +Lattice spacing in x,y,z = 0.0005 0.0005 0.0005 +region target cylinder y 0.0 0.0 0.0050 -0.0050 0.0 units box +create_box 1 target +Created orthogonal box = (-0.005 -0.005 -0.005) to (0.005 0 0.005) + 2 by 1 by 2 MPI processor grid +create_atoms 1 region target +Created 3487 atoms + +pair_style peri/eps +pair_coeff * * 14.9e9 14.9e9 0.0015001 0.0005 0.25 10.0e8 +set group all density 2200 + 3487 settings made for density +set group all volume 1.25e-10 + 3487 settings made for volume +velocity all set 0.0 0.0 0.0 sum no units box +fix 1 all nve + +# spherical indenter to shatter target + +variable y0 equal 0.00155 +variable vy equal -100 +variable y equal "v_y0 + step*dt*v_vy" + +fix 2 all indent 1e17 sphere 0.0000 v_y 0.0000 0.0015 units box + +compute 1 all damage/atom +timestep 1.0e-7 +thermo 100 + +#dump 1 all custom 100 dump.peri id type x y z c_1 + +#dump 2 all image 50 image.*.jpg type type # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 2 pad 4 + +#dump 3 all movie 50 movie.mpg type type # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 3 pad 4 + +run 1000 +Neighbor list info ... + update every 1 steps, delay 10 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 0.0025001 + ghost atom cutoff = 0.0025001 + binsize = 0.00125005, bins = 9 5 9 + 2 neighbor lists, perpetual/occasional/extra = 1 1 0 + (1) pair peri/eps, 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 = 335966 + bonds/atom = 96.3482 +Per MPI rank memory allocation (min/avg/max) = 44.77 | 45.04 | 45.14 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0 0 0 0 0 5.0030006e-07 + 100 8.3466308e+24 247103.03 0 849681.45 8.0295601e+11 5.0030006e-07 + 200 1.1784921e+27 1098605.6 0 86178912 1.0246967e+14 5.5353162e-07 + 300 2.6263212e+27 4118581.6 0 1.9372377e+08 1.662415e+14 7.6036043e-07 + 400 3.3085888e+27 9397203.3 0 2.4825816e+08 1.561692e+14 1.0196674e-06 + 500 3.9151799e+27 18408722 0 3.0106204e+08 1.5298661e+14 1.2317127e-06 + 600 6.2936721e+27 11346143 0 4.6571282e+08 1.9645007e+14 1.5419242e-06 + 700 1.2721597e+28 3830223.2 0 9.2225588e+08 3.0235577e+14 2.0250441e-06 + 800 1.3190107e+28 2831668.7 0 9.5508099e+08 2.4853932e+14 2.5542553e-06 + 900 1.3166045e+28 1911869.3 0 9.524241e+08 1.9729649e+14 3.2117896e-06 + 1000 1.3159578e+28 1995833.9 0 9.5204114e+08 1.6722163e+14 3.7875695e-06 +Loop time of 29.6266 on 4 procs for 1000 steps with 3487 atoms + +98.8% CPU use with 4 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 25.905 | 26.18 | 26.326 | 3.2 | 88.37 +Neigh | 0.15352 | 0.1872 | 0.22394 | 7.6 | 0.63 +Comm | 3.0374 | 3.1471 | 3.3731 | 7.5 | 10.62 +Output | 0.00047588 | 0.00062978 | 0.00097752 | 0.0 | 0.00 +Modify | 0.073521 | 0.081854 | 0.093222 | 2.7 | 0.28 +Other | | 0.02989 | | | 0.10 + +Nlocal: 871.75 ave 908 max 838 min +Histogram: 1 0 0 0 1 1 0 0 0 1 +Nghost: 1368.25 ave 1402 max 1332 min +Histogram: 1 0 0 0 1 1 0 0 0 1 +Neighs: 142294 ave 159233 max 124729 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +FullNghs: 302269 ave 346070 max 260820 min +Histogram: 1 0 0 0 2 0 0 0 0 1 + +Total # of neighbors = 1209076 +Ave neighs/atom = 346.738 +Neighbor list builds = 40 +Dangerous builds = 0 + +Please see the log.cite file for references relevant to this simulation + +Total wall time: 0:00:29 diff --git a/examples/peri/log.6Jul17.peri.lps.g++.1 b/examples/peri/log.6Jul17.peri.lps.g++.1 new file mode 100644 index 0000000000..4b2ac532d1 --- /dev/null +++ b/examples/peri/log.6Jul17.peri.lps.g++.1 @@ -0,0 +1,115 @@ +LAMMPS (6 Jul 2017) + using 1 OpenMP thread(s) per MPI task +# small Peridynamic cylinder hit by projectile + +units si +boundary s s s +atom_style peri +atom_modify map array +neighbor 0.0010 bin + +# small target + +lattice sc 0.0005 +Lattice spacing in x,y,z = 0.0005 0.0005 0.0005 +region target cylinder y 0.0 0.0 0.0050 -0.0050 0.0 units box +create_box 1 target +Created orthogonal box = (-0.005 -0.005 -0.005) to (0.005 0 0.005) + 1 by 1 by 1 MPI processor grid +create_atoms 1 region target +Created 3487 atoms + +pair_style peri/lps +pair_coeff * * 14.9e9 14.9e9 0.0015001 0.0005 0.25 +set group all density 2200 + 3487 settings made for density +set group all volume 1.25e-10 + 3487 settings made for volume +velocity all set 0.0 0.0 0.0 sum no units box +fix 1 all nve + +# spherical indenter to shatter target + +variable y0 equal 0.00155 +variable vy equal -100 +variable y equal "v_y0 + step*dt*v_vy" + +fix 2 all indent 1e17 sphere 0.0000 v_y 0.0000 0.0015 units box + +compute 1 all damage/atom +timestep 1.0e-7 +thermo 100 + +#dump 1 all custom 100 dump.peri id type x y z c_1 + +#dump 2 all image 50 image.*.jpg type type # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 2 pad 4 + +#dump 3 all movie 50 movie.mpg type type # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 3 pad 4 + +run 1000 +Neighbor list info ... + update every 1 steps, delay 10 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 0.0025001 + ghost atom cutoff = 0.0025001 + binsize = 0.00125005, bins = 9 5 9 + 2 neighbor lists, perpetual/occasional/extra = 1 1 0 + (1) pair peri/lps, 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 = 335966 + bonds/atom = 96.3482 +Per MPI rank memory allocation (min/avg/max) = 34.91 | 34.91 | 34.91 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0 0 0 0 0 5.0030006e-07 + 100 1.684629e+24 133446.65 0 255067.11 1.6206343e+11 5.0030006e-07 + 200 1.1380148e+27 684478.05 0 82842557 9.9178307e+13 5.5225839e-07 + 300 2.5659218e+27 5944645.9 0 1.9118934e+08 1.6231114e+14 7.6086254e-07 + 400 2.9916164e+27 13677434 0 2.2965481e+08 1.4081705e+14 1.0224963e-06 + 500 3.3570343e+27 11130894 0 2.5348933e+08 1.2577633e+14 1.2846002e-06 + 600 3.9506165e+27 6986672.5 0 2.9219831e+08 1.2659956e+14 1.5019096e-06 + 700 7.8366157e+27 11716082 0 5.7747436e+08 1.9480124e+14 1.9361899e-06 + 800 8.2483231e+27 4671647.2 0 6.0015282e+08 1.7040064e+14 2.3297298e-06 + 900 8.2720965e+27 1249680.9 0 5.9844715e+08 1.4117116e+14 2.8202052e-06 + 1000 8.2441462e+27 2278265.6 0 5.9745788e+08 1.234652e+14 3.213751e-06 +Loop time of 62.3833 on 1 procs for 1000 steps with 3487 atoms + +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 | 61.608 | 61.608 | 61.608 | 0.0 | 98.76 +Neigh | 0.57177 | 0.57177 | 0.57177 | 0.0 | 0.92 +Comm | 0.0030825 | 0.0030825 | 0.0030825 | 0.0 | 0.00 +Output | 0.00051951 | 0.00051951 | 0.00051951 | 0.0 | 0.00 +Modify | 0.17278 | 0.17278 | 0.17278 | 0.0 | 0.28 +Other | | 0.02745 | | | 0.04 + +Nlocal: 3487 ave 3487 max 3487 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 0 ave 0 max 0 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 576568 ave 576568 max 576568 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +FullNghs: 1.20908e+06 ave 1.20908e+06 max 1.20908e+06 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 1209076 +Ave neighs/atom = 346.738 +Neighbor list builds = 37 +Dangerous builds = 0 + +Please see the log.cite file for references relevant to this simulation + +Total wall time: 0:01:02 diff --git a/examples/peri/log.6Jul17.peri.lps.g++.4 b/examples/peri/log.6Jul17.peri.lps.g++.4 new file mode 100644 index 0000000000..04244f0123 --- /dev/null +++ b/examples/peri/log.6Jul17.peri.lps.g++.4 @@ -0,0 +1,115 @@ +LAMMPS (6 Jul 2017) + using 1 OpenMP thread(s) per MPI task +# small Peridynamic cylinder hit by projectile + +units si +boundary s s s +atom_style peri +atom_modify map array +neighbor 0.0010 bin + +# small target + +lattice sc 0.0005 +Lattice spacing in x,y,z = 0.0005 0.0005 0.0005 +region target cylinder y 0.0 0.0 0.0050 -0.0050 0.0 units box +create_box 1 target +Created orthogonal box = (-0.005 -0.005 -0.005) to (0.005 0 0.005) + 2 by 1 by 2 MPI processor grid +create_atoms 1 region target +Created 3487 atoms + +pair_style peri/lps +pair_coeff * * 14.9e9 14.9e9 0.0015001 0.0005 0.25 +set group all density 2200 + 3487 settings made for density +set group all volume 1.25e-10 + 3487 settings made for volume +velocity all set 0.0 0.0 0.0 sum no units box +fix 1 all nve + +# spherical indenter to shatter target + +variable y0 equal 0.00155 +variable vy equal -100 +variable y equal "v_y0 + step*dt*v_vy" + +fix 2 all indent 1e17 sphere 0.0000 v_y 0.0000 0.0015 units box + +compute 1 all damage/atom +timestep 1.0e-7 +thermo 100 + +#dump 1 all custom 100 dump.peri id type x y z c_1 + +#dump 2 all image 50 image.*.jpg type type # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 2 pad 4 + +#dump 3 all movie 50 movie.mpg type type # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 3 pad 4 + +run 1000 +Neighbor list info ... + update every 1 steps, delay 10 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 0.0025001 + ghost atom cutoff = 0.0025001 + binsize = 0.00125005, bins = 9 5 9 + 2 neighbor lists, perpetual/occasional/extra = 1 1 0 + (1) pair peri/lps, 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 = 335966 + bonds/atom = 96.3482 +Per MPI rank memory allocation (min/avg/max) = 29.4 | 29.66 | 29.76 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0 0 0 0 0 5.0030006e-07 + 100 1.684629e+24 133446.65 0 255067.11 1.6206343e+11 5.0030006e-07 + 200 1.1380148e+27 684478.05 0 82842557 9.9178307e+13 5.5225839e-07 + 300 2.5659218e+27 5944645.9 0 1.9118934e+08 1.6231114e+14 7.6086254e-07 + 400 2.9916164e+27 13677434 0 2.2965481e+08 1.4081705e+14 1.0224963e-06 + 500 3.3570343e+27 11130894 0 2.5348933e+08 1.2577633e+14 1.2846002e-06 + 600 3.9506165e+27 6986672.5 0 2.9219831e+08 1.2659956e+14 1.5019096e-06 + 700 7.8366157e+27 11716082 0 5.7747436e+08 1.9480124e+14 1.9361899e-06 + 800 8.2483231e+27 4671647.2 0 6.0015282e+08 1.7040064e+14 2.3297298e-06 + 900 8.2720965e+27 1249680.9 0 5.9844715e+08 1.4117116e+14 2.8202052e-06 + 1000 8.2441489e+27 2277476.2 0 5.9745729e+08 1.2346524e+14 3.213751e-06 +Loop time of 23.2656 on 4 procs for 1000 steps with 3487 atoms + +99.2% CPU use with 4 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 20.801 | 21.119 | 21.525 | 6.3 | 90.78 +Neigh | 0.13851 | 0.18557 | 0.22747 | 8.5 | 0.80 +Comm | 1.5175 | 1.8689 | 2.1386 | 18.0 | 8.03 +Output | 0.00049806 | 0.00059026 | 0.00071931 | 0.0 | 0.00 +Modify | 0.063441 | 0.066235 | 0.069135 | 0.9 | 0.28 +Other | | 0.02496 | | | 0.11 + +Nlocal: 871.75 ave 939 max 805 min +Histogram: 1 0 0 0 1 1 0 0 0 1 +Nghost: 1343.25 ave 1410 max 1276 min +Histogram: 1 0 0 0 1 1 0 0 0 1 +Neighs: 144142 ave 176488 max 113797 min +Histogram: 1 0 1 0 0 0 1 0 0 1 +FullNghs: 302269 ave 346070 max 260820 min +Histogram: 1 0 0 0 2 0 0 0 0 1 + +Total # of neighbors = 1209076 +Ave neighs/atom = 346.738 +Neighbor list builds = 37 +Dangerous builds = 0 + +Please see the log.cite file for references relevant to this simulation + +Total wall time: 0:00:23 diff --git a/examples/peri/log.5Oct16.peri.g++.1 b/examples/peri/log.6Jul17.peri.pmb.g++.1 similarity index 62% rename from examples/peri/log.5Oct16.peri.g++.1 rename to examples/peri/log.6Jul17.peri.pmb.g++.1 index 687876f97f..84a439674b 100644 --- a/examples/peri/log.5Oct16.peri.g++.1 +++ b/examples/peri/log.6Jul17.peri.pmb.g++.1 @@ -1,10 +1,11 @@ -LAMMPS (5 Oct 2016) +LAMMPS (6 Jul 2017) + using 1 OpenMP thread(s) per MPI task # small Peridynamic cylinder hit by projectile -units si +units si boundary s s s atom_style peri -atom_modify map array +atom_modify map array neighbor 0.0010 bin # small target @@ -41,24 +42,34 @@ thermo 100 #dump 1 all custom 100 dump.peri id type x y z c_1 -#dump 2 all image 50 image.*.jpg type type # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 -#dump_modify 2 pad 4 +#dump 2 all image 50 image.*.jpg type type # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 2 pad 4 -#dump 3 all movie 50 movie.mpg type type # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 -#dump_modify 3 pad 4 +#dump 3 all movie 50 movie.mpg type type # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 3 pad 4 run 1000 Neighbor list info ... - 2 neighbor list requests update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 0.0025001 ghost atom cutoff = 0.0025001 - binsize = 0.00125005 -> bins = 9 5 9 + binsize = 0.00125005, bins = 9 5 9 + 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 = 335966 bonds/atom = 96.3482 -Memory usage per processor = 26.6858 Mbytes +Per MPI rank memory allocation (min/avg/max) = 34.79 | 34.79 | 34.79 Mbytes Step Temp E_pair E_mol TotEng Press Volume 0 0 0 0 0 0 5.0030006e-07 100 1.7890585e+24 552721.8 0 681881.47 1.7210968e+11 5.0030006e-07 @@ -68,28 +79,28 @@ Step Temp E_pair E_mol TotEng Press Volume 500 4.2580877e+27 20212686 0 3.2762196e+08 1.6249923e+14 1.2611723e-06 600 5.5126512e+27 30861342 0 4.2884284e+08 1.7320038e+14 1.531873e-06 700 1.1807414e+28 23119941 0 8.7554687e+08 2.9477434e+14 1.9278632e-06 - 800 1.2424839e+28 2407361.6 0 8.994088e+08 2.3787786e+14 2.5138992e-06 - 900 1.2358395e+28 4532520.6 0 8.9673706e+08 1.9097312e+14 3.1145903e-06 - 1000 1.2341057e+28 3219939.5 0 8.9417279e+08 1.5968597e+14 3.7196039e-06 -Loop time of 20.3026 on 1 procs for 1000 steps with 3487 atoms + 800 1.2424839e+28 2407365.1 0 8.994088e+08 2.3787786e+14 2.5138992e-06 + 900 1.2358397e+28 4532424.3 0 8.9673716e+08 1.9097316e+14 3.1145903e-06 + 1000 1.2341048e+28 3219355.8 0 8.9417154e+08 1.5968585e+14 3.7196039e-06 +Loop time of 28.565 on 1 procs for 1000 steps with 3487 atoms -99.9% CPU use with 1 MPI tasks x no OpenMP threads +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 | 19.625 | 19.625 | 19.625 | 0.0 | 96.66 -Neigh | 0.57013 | 0.57013 | 0.57013 | 0.0 | 2.81 -Comm | 0.0014448 | 0.0014448 | 0.0014448 | 0.0 | 0.01 -Output | 0.00024772 | 0.00024772 | 0.00024772 | 0.0 | 0.00 -Modify | 0.092173 | 0.092173 | 0.092173 | 0.0 | 0.45 -Other | | 0.01359 | | | 0.07 +Pair | 27.721 | 27.721 | 27.721 | 0.0 | 97.04 +Neigh | 0.66353 | 0.66353 | 0.66353 | 0.0 | 2.32 +Comm | 0.0027969 | 0.0027969 | 0.0027969 | 0.0 | 0.01 +Output | 0.00042295 | 0.00042295 | 0.00042295 | 0.0 | 0.00 +Modify | 0.1566 | 0.1566 | 0.1566 | 0.0 | 0.55 +Other | | 0.02086 | | | 0.07 Nlocal: 3487 ave 3487 max 3487 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 567140 ave 567140 max 567140 min +Neighs: 567132 ave 567132 max 567132 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 1.20908e+06 ave 1.20908e+06 max 1.20908e+06 min Histogram: 1 0 0 0 0 0 0 0 0 0 @@ -101,4 +112,4 @@ Dangerous builds = 0 Please see the log.cite file for references relevant to this simulation -Total wall time: 0:00:20 +Total wall time: 0:00:28 diff --git a/examples/peri/log.5Oct16.peri.g++.4 b/examples/peri/log.6Jul17.peri.pmb.g++.4 similarity index 58% rename from examples/peri/log.5Oct16.peri.g++.4 rename to examples/peri/log.6Jul17.peri.pmb.g++.4 index cb478772af..637b2cc26a 100644 --- a/examples/peri/log.5Oct16.peri.g++.4 +++ b/examples/peri/log.6Jul17.peri.pmb.g++.4 @@ -1,10 +1,11 @@ -LAMMPS (5 Oct 2016) +LAMMPS (6 Jul 2017) + using 1 OpenMP thread(s) per MPI task # small Peridynamic cylinder hit by projectile -units si +units si boundary s s s atom_style peri -atom_modify map array +atom_modify map array neighbor 0.0010 bin # small target @@ -41,24 +42,34 @@ thermo 100 #dump 1 all custom 100 dump.peri id type x y z c_1 -#dump 2 all image 50 image.*.jpg type type # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 -#dump_modify 2 pad 4 +#dump 2 all image 50 image.*.jpg type type # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 2 pad 4 -#dump 3 all movie 50 movie.mpg type type # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 -#dump_modify 3 pad 4 +#dump 3 all movie 50 movie.mpg type type # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 3 pad 4 run 1000 Neighbor list info ... - 2 neighbor list requests update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 0.0025001 ghost atom cutoff = 0.0025001 - binsize = 0.00125005 -> bins = 9 5 9 + binsize = 0.00125005, bins = 9 5 9 + 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 = 335966 bonds/atom = 96.3482 -Memory usage per processor = 26.9049 Mbytes +Per MPI rank memory allocation (min/avg/max) = 29.27 | 29.54 | 29.64 Mbytes Step Temp E_pair E_mol TotEng Press Volume 0 0 0 0 0 0 5.0030006e-07 100 1.7890585e+24 552721.8 0 681881.47 1.7210968e+11 5.0030006e-07 @@ -68,29 +79,29 @@ Step Temp E_pair E_mol TotEng Press Volume 500 4.2580877e+27 20212686 0 3.2762196e+08 1.6249923e+14 1.2611723e-06 600 5.5126512e+27 30861342 0 4.2884284e+08 1.7320038e+14 1.531873e-06 700 1.1807414e+28 23119941 0 8.7554687e+08 2.9477434e+14 1.9278632e-06 - 800 1.2424839e+28 2407361.5 0 8.994088e+08 2.3787786e+14 2.5138992e-06 - 900 1.2358395e+28 4532520.1 0 8.9673706e+08 1.9097312e+14 3.1145903e-06 - 1000 1.2341057e+28 3219974.3 0 8.9417286e+08 1.5968598e+14 3.7196039e-06 -Loop time of 5.91321 on 4 procs for 1000 steps with 3487 atoms + 800 1.2424839e+28 2407365.2 0 8.994088e+08 2.3787786e+14 2.5138992e-06 + 900 1.2358397e+28 4532423 0 8.9673716e+08 1.9097316e+14 3.1145903e-06 + 1000 1.2341048e+28 3219408.7 0 8.9417158e+08 1.5968585e+14 3.7196039e-06 +Loop time of 9.59889 on 4 procs for 1000 steps with 3487 atoms -99.6% CPU use with 4 MPI tasks x no OpenMP threads +99.2% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- -Pair | 4.5763 | 5.0164 | 5.502 | 15.8 | 84.83 -Neigh | 0.11212 | 0.14636 | 0.1811 | 7.8 | 2.48 -Comm | 0.18545 | 0.70922 | 1.1869 | 45.6 | 11.99 -Output | 0.00026011 | 0.00030977 | 0.00038433 | 0.3 | 0.01 -Modify | 0.028668 | 0.029356 | 0.030043 | 0.4 | 0.50 -Other | | 0.01158 | | | 0.20 +Pair | 7.9131 | 8.1341 | 8.3286 | 6.7 | 84.74 +Neigh | 0.19736 | 0.22539 | 0.25643 | 5.6 | 2.35 +Comm | 0.92843 | 1.1536 | 1.402 | 18.4 | 12.02 +Output | 0.00053358 | 0.00059688 | 0.00070548 | 0.0 | 0.01 +Modify | 0.060774 | 0.06358 | 0.068375 | 1.2 | 0.66 +Other | | 0.02165 | | | 0.23 -Nlocal: 871.75 ave 920 max 824 min -Histogram: 1 0 0 1 0 0 1 0 0 1 -Nghost: 1343.25 ave 1391 max 1295 min -Histogram: 1 0 0 1 0 0 1 0 0 1 -Neighs: 141785 ave 170754 max 115891 min -Histogram: 1 1 0 0 0 0 0 1 0 1 +Nlocal: 871.75 ave 920 max 829 min +Histogram: 1 0 0 0 2 0 0 0 0 1 +Nghost: 1343.25 ave 1386 max 1295 min +Histogram: 1 0 0 0 0 2 0 0 0 1 +Neighs: 141783 ave 157099 max 127518 min +Histogram: 2 0 0 0 0 0 0 0 1 1 FullNghs: 302269 ave 346070 max 260820 min Histogram: 1 0 0 0 2 0 0 0 0 1 @@ -101,4 +112,4 @@ Dangerous builds = 0 Please see the log.cite file for references relevant to this simulation -Total wall time: 0:00:05 +Total wall time: 0:00:09 diff --git a/examples/peri/log.6Jul17.peri.ves.g++.1 b/examples/peri/log.6Jul17.peri.ves.g++.1 new file mode 100644 index 0000000000..3d1d156d4a --- /dev/null +++ b/examples/peri/log.6Jul17.peri.ves.g++.1 @@ -0,0 +1,115 @@ +LAMMPS (6 Jul 2017) + using 1 OpenMP thread(s) per MPI task +# small Peridynamic cylinder hit by projectile + +units si +boundary s s s +atom_style peri +atom_modify map array +neighbor 0.0010 bin + +# small target + +lattice sc 0.0005 +Lattice spacing in x,y,z = 0.0005 0.0005 0.0005 +region target cylinder y 0.0 0.0 0.0050 -0.0050 0.0 units box +create_box 1 target +Created orthogonal box = (-0.005 -0.005 -0.005) to (0.005 0 0.005) + 1 by 1 by 1 MPI processor grid +create_atoms 1 region target +Created 3487 atoms + +pair_style peri/ves +pair_coeff * * 14.9e9 14.9e9 0.0015001 0.0005 0.25 0.5 0.001 +set group all density 2200 + 3487 settings made for density +set group all volume 1.25e-10 + 3487 settings made for volume +velocity all set 0.0 0.0 0.0 sum no units box +fix 1 all nve + +# spherical indenter to shatter target + +variable y0 equal 0.00155 +variable vy equal -100 +variable y equal "v_y0 + step*dt*v_vy" + +fix 2 all indent 1e17 sphere 0.0000 v_y 0.0000 0.0015 units box + +compute 1 all damage/atom +timestep 1.0e-7 +thermo 100 + +#dump 1 all custom 100 dump.peri id type x y z c_1 + +#dump 2 all image 50 image.*.jpg type type # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 2 pad 4 + +#dump 3 all movie 50 movie.mpg type type # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 3 pad 4 + +run 1000 +Neighbor list info ... + update every 1 steps, delay 10 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 0.0025001 + ghost atom cutoff = 0.0025001 + binsize = 0.00125005, bins = 9 5 9 + 2 neighbor lists, perpetual/occasional/extra = 1 1 0 + (1) pair peri/ves, 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 = 335966 + bonds/atom = 96.3482 +Per MPI rank memory allocation (min/avg/max) = 65.41 | 65.41 | 65.41 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0 0 0 0 0 5.0030006e-07 + 100 8.3392177e+24 247040.57 0 849083.8 8.0224286e+11 5.0030006e-07 + 200 1.1849022e+27 1158030.5 0 86701105 1.0301578e+14 5.5359205e-07 + 300 2.6287222e+27 4389155.1 0 1.9416767e+08 1.6636212e+14 7.6050375e-07 + 400 3.2718778e+27 7458219 0 2.4366885e+08 1.5439709e+14 1.0199269e-06 + 500 3.8413187e+27 6151611.4 0 2.8347258e+08 1.5008974e+14 1.2318007e-06 + 600 6.1409926e+27 18424316 0 4.6176842e+08 1.9507512e+14 1.5151227e-06 + 700 1.0046131e+28 11478344 0 7.3675086e+08 2.4228512e+14 1.9956447e-06 + 800 1.0402132e+28 4421233.6 0 7.5539495e+08 2.0512303e+14 2.4407262e-06 + 900 1.0419515e+28 7223261.3 0 7.594519e+08 1.6647307e+14 3.0124137e-06 + 1000 1.0503737e+28 2621490.6 0 7.6093049e+08 1.4315634e+14 3.5313793e-06 +Loop time of 77.2175 on 1 procs for 1000 steps with 3487 atoms + +99.4% CPU use with 1 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 76.421 | 76.421 | 76.421 | 0.0 | 98.97 +Neigh | 0.56616 | 0.56616 | 0.56616 | 0.0 | 0.73 +Comm | 0.0038247 | 0.0038247 | 0.0038247 | 0.0 | 0.00 +Output | 0.00051951 | 0.00051951 | 0.00051951 | 0.0 | 0.00 +Modify | 0.19434 | 0.19434 | 0.19434 | 0.0 | 0.25 +Other | | 0.03197 | | | 0.04 + +Nlocal: 3487 ave 3487 max 3487 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 0 ave 0 max 0 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 561942 ave 561942 max 561942 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +FullNghs: 1.20908e+06 ave 1.20908e+06 max 1.20908e+06 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 1209076 +Ave neighs/atom = 346.738 +Neighbor list builds = 37 +Dangerous builds = 0 + +Please see the log.cite file for references relevant to this simulation + +Total wall time: 0:01:17 diff --git a/examples/peri/log.6Jul17.peri.ves.g++.4 b/examples/peri/log.6Jul17.peri.ves.g++.4 new file mode 100644 index 0000000000..bd05d58e9f --- /dev/null +++ b/examples/peri/log.6Jul17.peri.ves.g++.4 @@ -0,0 +1,115 @@ +LAMMPS (6 Jul 2017) + using 1 OpenMP thread(s) per MPI task +# small Peridynamic cylinder hit by projectile + +units si +boundary s s s +atom_style peri +atom_modify map array +neighbor 0.0010 bin + +# small target + +lattice sc 0.0005 +Lattice spacing in x,y,z = 0.0005 0.0005 0.0005 +region target cylinder y 0.0 0.0 0.0050 -0.0050 0.0 units box +create_box 1 target +Created orthogonal box = (-0.005 -0.005 -0.005) to (0.005 0 0.005) + 2 by 1 by 2 MPI processor grid +create_atoms 1 region target +Created 3487 atoms + +pair_style peri/ves +pair_coeff * * 14.9e9 14.9e9 0.0015001 0.0005 0.25 0.5 0.001 +set group all density 2200 + 3487 settings made for density +set group all volume 1.25e-10 + 3487 settings made for volume +velocity all set 0.0 0.0 0.0 sum no units box +fix 1 all nve + +# spherical indenter to shatter target + +variable y0 equal 0.00155 +variable vy equal -100 +variable y equal "v_y0 + step*dt*v_vy" + +fix 2 all indent 1e17 sphere 0.0000 v_y 0.0000 0.0015 units box + +compute 1 all damage/atom +timestep 1.0e-7 +thermo 100 + +#dump 1 all custom 100 dump.peri id type x y z c_1 + +#dump 2 all image 50 image.*.jpg type type # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 2 pad 4 + +#dump 3 all movie 50 movie.mpg type type # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 3 pad 4 + +run 1000 +Neighbor list info ... + update every 1 steps, delay 10 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 0.0025001 + ghost atom cutoff = 0.0025001 + binsize = 0.00125005, bins = 9 5 9 + 2 neighbor lists, perpetual/occasional/extra = 1 1 0 + (1) pair peri/ves, 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 = 335966 + bonds/atom = 96.3482 +Per MPI rank memory allocation (min/avg/max) = 59.9 | 60.16 | 60.26 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0 0 0 0 0 5.0030006e-07 + 100 8.3392177e+24 247040.57 0 849083.8 8.0224286e+11 5.0030006e-07 + 200 1.1849022e+27 1158030.5 0 86701105 1.0301578e+14 5.5359205e-07 + 300 2.6287222e+27 4389155.1 0 1.9416767e+08 1.6636212e+14 7.6050375e-07 + 400 3.2718778e+27 7458219 0 2.4366885e+08 1.5439709e+14 1.0199269e-06 + 500 3.8413187e+27 6151611.4 0 2.8347258e+08 1.5008974e+14 1.2318007e-06 + 600 6.1409926e+27 18424316 0 4.6176842e+08 1.9507512e+14 1.5151227e-06 + 700 1.0046131e+28 11478344 0 7.3675086e+08 2.4228512e+14 1.9956447e-06 + 800 1.0402132e+28 4421233.6 0 7.5539495e+08 2.0512303e+14 2.4407262e-06 + 900 1.0419515e+28 7223258.7 0 7.594519e+08 1.6647307e+14 3.0124137e-06 + 1000 1.0503738e+28 2621480.4 0 7.6093057e+08 1.4315636e+14 3.5313793e-06 +Loop time of 25.9768 on 4 procs for 1000 steps with 3487 atoms + +99.1% CPU use with 4 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 22.455 | 23.348 | 24.175 | 14.1 | 89.88 +Neigh | 0.14472 | 0.18294 | 0.2299 | 8.6 | 0.70 +Comm | 1.4715 | 2.3485 | 3.2075 | 44.8 | 9.04 +Output | 0.000489 | 0.00059682 | 0.0007987 | 0.0 | 0.00 +Modify | 0.063634 | 0.071411 | 0.076907 | 1.9 | 0.27 +Other | | 0.02506 | | | 0.10 + +Nlocal: 871.75 ave 896 max 852 min +Histogram: 2 0 0 0 0 0 0 1 0 1 +Nghost: 1293.25 ave 1313 max 1269 min +Histogram: 1 0 1 0 0 0 0 0 0 2 +Neighs: 140486 ave 167239 max 121255 min +Histogram: 2 0 0 0 0 0 1 0 0 1 +FullNghs: 302269 ave 346070 max 260820 min +Histogram: 1 0 0 0 2 0 0 0 0 1 + +Total # of neighbors = 1209076 +Ave neighs/atom = 346.738 +Neighbor list builds = 37 +Dangerous builds = 0 + +Please see the log.cite file for references relevant to this simulation + +Total wall time: 0:00:26