Commit 314b2f43 authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1970 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 9d602bfc

examples/README

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@@ -40,6 +40,7 @@ min: energy minimization of 2d LJ melt 
nemd:	  non-equilibrium MD of 2d sheared system

obstacle: flow around two voids in a 2d channel

peptide:  dynamics of a small solvated peptide chain (5-mer)

peri:	  Peridynamic model of cylinder impacted by indenter

pour:     pouring of granular particles into a 3d box, then chute flow

rigid:    rigid bodies modeled as independent or coupled

shear:    sideways shear applied to 2d solid, with and without a void

examples/peri/in.peri

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# 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



fix             2 all indent 1e17 sphere 0.0000 0.00155 0.0000 0.0015 &

		vel 0.0 -100.0 0.0 units box



compute         1 all damage/atom

timestep        1.0e-7

thermo          100



dump            1 all custom 100 dump.peri tag type x y z c_1



run             1000

examples/peri/log.peri.21May08.linux.1

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Original line number Diff line number Diff line 
LAMMPS (21 May 2008)

# 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 processor grid

create_atoms    1 region target

Created 3487 atoms



pair_style      peri/pmb

pair_coeff      * * 1.6863e22 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



fix             2 all indent 1e17 sphere 0.0000 0.00155 0.0000 0.0015 		vel 0.0 -100.0 0.0 units box



compute         1 all damage/atom

timestep        1.0e-7

thermo          100



dump            1 all custom 100 dump.peri tag type x y z c_1



run             1000

Peridynamic bonds:

  total # of bonds = 335966

  bonds/atom = 96.3482

Memory usage per processor = 24.1148 Mbytes

Step Temp E_pair E_mol TotEng Press Volume 

       0            0            0            0            0            0  5.41008e-07 

     100 1.7890585e+24            0            0    129159.67 5.9057929e+14  5.41008e-07 

     200 1.3549879e+27            0            0     97822279 3.8202532e+14 5.9404973e-07 

     300 3.3009625e+27    865379.51            0 2.3917576e+08 -1.552503e+15 8.6166616e-07 

     400 3.815184e+27    24236.443            0 2.7545843e+08 -1.49454e+15 1.0705801e-06 

     500 4.2580877e+27    762934.07            0 3.0817221e+08 -6.1343833e+14 1.3323008e-06 

     600 5.5126512e+27     22471413            0 4.2045291e+08 8.9342863e+14 1.6138199e-06 

     700 1.1807414e+28     37464997            0 8.8989193e+08 6.2323168e+14 2.0255833e-06 

     800 1.2424839e+28    726898.54            0 8.9772833e+08 1.4692969e+14 2.6348959e-06 

     900 1.2358395e+28    4553038.1            0 8.9675758e+08 3.720887e+13 3.2593627e-06 

    1000 1.2341057e+28    2589682.6            0 8.9354252e+08 1.9021348e+14 3.8882369e-06 

Loop time of 64.1566 on 1 procs for 1000 steps with 3487 atoms



Pair  time (%) = 62.9492 (98.1181)

Neigh time (%) = 0.861746 (1.34319)

Comm  time (%) = 0.00329423 (0.00513467)

Outpt time (%) = 0.100208 (0.156193)

Other time (%) = 0.242142 (0.377423)



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

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 = 46

Dangerous builds = 0

examples/peri/log.peri.21May08.linux.4

0 → 100644
+78 −0
Original line number Diff line number Diff line 
LAMMPS (21 May 2008)

# 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 processor grid

create_atoms    1 region target

Created 3487 atoms



pair_style      peri/pmb

pair_coeff      * * 1.6863e22 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



fix             2 all indent 1e17 sphere 0.0000 0.00155 0.0000 0.0015 		vel 0.0 -100.0 0.0 units box



compute         1 all damage/atom

timestep        1.0e-7

thermo          100



dump            1 all custom 100 dump.peri tag type x y z c_1



run             1000

Peridynamic bonds:

  total # of bonds = 335966

  bonds/atom = 96.3482

Memory usage per processor = 18.5019 Mbytes

Step Temp E_pair E_mol TotEng Press Volume 

       0            0            0            0            0            0  5.41008e-07 

     100 1.7890585e+24            0            0    129159.67 5.9057929e+14  5.41008e-07 

     200 1.3549879e+27            0            0     97822279 3.8202532e+14 5.9404973e-07 

     300 3.3009625e+27    865379.51            0 2.3917576e+08 -1.552503e+15 8.6166616e-07 

     400 3.815184e+27    24236.443            0 2.7545843e+08 -1.49454e+15 1.0705801e-06 

     500 4.2580877e+27    762934.07            0 3.0817221e+08 -6.1343833e+14 1.3323008e-06 

     600 5.5126512e+27     22471413            0 4.2045291e+08 8.9342863e+14 1.6138199e-06 

     700 1.1807414e+28     37464996            0 8.8989193e+08 6.2323168e+14 2.0255833e-06 

     800 1.2424839e+28    726898.37            0 8.9772833e+08 1.4692968e+14 2.6348959e-06 

     900 1.2358395e+28    4553037.2            0 8.9675758e+08 3.7208852e+13 3.2593627e-06 

    1000 1.2341057e+28    2589760.5            0 8.9354264e+08 1.902153e+14 3.8882369e-06 

Loop time of 18.1195 on 4 procs for 1000 steps with 3487 atoms



Pair  time (%) = 15.1613 (83.6735)

Neigh time (%) = 0.20681 (1.14137)

Comm  time (%) = 2.51483 (13.8791)

Outpt time (%) = 0.101843 (0.562062)

Other time (%) = 0.13479 (0.743893)



Nlocal:    871.75 ave 923 max 823 min

Histogram: 1 0 0 1 0 0 1 0 0 1

Nghost:    1343.25 ave 1392 max 1292 min

Histogram: 1 0 0 1 0 0 1 0 0 1

Neighs:    141785 ave 171378 max 115621 min

Histogram: 1 1 0 0 0 0 0 1 0 1

FullNghs: 291003 ave 303905 max 260820 min

Histogram: 1 0 0 0 0 0 0 0 1 2



Total # of neighbors = 1164011

Ave neighs/atom = 333.814

Neighbor list builds = 46

Dangerous builds = 0

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