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lammps/examples/crack/log.crack.9Jan12.linux.1
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LAMMPS (10 Jan 2012)
# 2d LJ crack simulation
dimension 2
boundary s s p
atom_style atomic
neighbor 0.3 bin
neigh_modify delay 5
# create geometry
lattice hex 0.93
Lattice spacing in x,y,z = 1.11428 1.92998 1.11428
region box block 0 100 0 40 -0.25 0.25
create_box 5 box
Created orthogonal box = (0 0 -0.278569) to (111.428 77.1994 0.278569)
1 by 1 by 1 MPI processor grid
create_atoms 1 box
Created 8141 atoms
mass 1 1.0
mass 2 1.0
mass 3 1.0
mass 4 1.0
mass 5 1.0
# LJ potentials
pair_style lj/cut 2.5
pair_coeff * * 1.0 1.0 2.5
# define groups
region 1 block INF INF INF 1.25 INF INF
group lower region 1
302 atoms in group lower
region 2 block INF INF 38.75 INF INF INF
group upper region 2
302 atoms in group upper
group boundary union lower upper
604 atoms in group boundary
group mobile subtract all boundary
7537 atoms in group mobile
region leftupper block INF 20 20 INF INF INF
region leftlower block INF 20 INF 20 INF INF
group leftupper region leftupper
841 atoms in group leftupper
group leftlower region leftlower
841 atoms in group leftlower
set group leftupper type 2
841 settings made for type
set group leftlower type 3
841 settings made for type
set group lower type 4
302 settings made for type
set group upper type 5
302 settings made for type
# initial velocities
compute new mobile temp
velocity mobile create 0.01 887723 temp new
velocity upper set 0.0 0.3 0.0
velocity mobile ramp vy 0.0 0.3 y 1.25 38.75 sum yes
# fixes
fix 1 all nve
fix 2 boundary setforce NULL 0.0 0.0
# run
timestep 0.003
thermo 200
thermo_modify temp new
WARNING: Temperature for thermo pressure is not for group all (thermo.cpp:442)
neigh_modify exclude type 2 3
dump 1 all atom 500 dump.crack
run 5000
Memory usage per processor = 2.06456 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 0.065651733 -3.2595015 0 -3.1987287 -0.03625351 8602.1883
200 0.060086376 -3.2531936 0 -3.1975725 -0.23134158 8635.4
400 0.060533553 -3.2509973 0 -3.1949623 -0.43071023 8675.8283
600 0.06082965 -3.2466949 0 -3.1903858 -0.6030901 8713.3314
800 0.061677224 -3.2413215 0 -3.1842278 -0.74856841 8752.7927
1000 0.062383731 -3.2349273 0 -3.1771796 -0.87459354 8789.671
1200 0.063709246 -3.2276094 0 -3.1686347 -0.98058454 8825.4386
1400 0.065404552 -3.2196608 0 -3.1591168 -1.0699554 8863.034
1600 0.067579602 -3.2110378 0 -3.1484804 -1.1460845 8897.2152
1800 0.069324241 -3.2018536 0 -3.1376812 -1.2025669 8929.5485
2000 0.071014927 -3.1921108 0 -3.1263733 -1.2434925 8960.5106
2200 0.072992881 -3.1818701 0 -3.1143017 -1.2706212 9000.9309
2400 0.075000723 -3.1712313 0 -3.1018043 -1.2835822 9031.5102
2600 0.076843477 -3.1601004 0 -3.0889675 -1.2797332 9068.6361
2800 0.078671706 -3.1487747 0 -3.0759495 -1.2664476 9100.45
3000 0.080713586 -3.1373277 0 -3.0626123 -1.2445454 9131.0432
3200 0.08309469 -3.1260242 0 -3.0491047 -1.2150129 9165.4844
3400 0.085424766 -3.1146623 0 -3.0355859 -1.1843858 9203.3855
3600 0.087396485 -3.1029493 0 -3.0220477 -1.1438492 9230.2539
3800 0.089007987 -3.090822 0 -3.0084286 -1.1004992 9255.5005
4000 0.089813071 -3.0794078 0 -2.9962692 -1.0632524 9278.281
4200 0.08584753 -3.0668559 0 -2.9873882 -1.0383674 9305.2666
4400 0.086197517 -3.0559678 0 -2.9761761 -1.0292345 9325.4174
4600 0.086766447 -3.0437627 0 -2.9634443 -1.0212664 9358.4367
4800 0.088195149 -3.0328502 0 -2.9512093 -1.0275959 9392.0495
5000 0.089415266 -3.0228825 0 -2.9401122 -1.0219203 9432.5928
Loop time of 6.90229 on 1 procs for 5000 steps with 8141 atoms
Pair time (%) = 5.71184 (82.7529)
Neigh time (%) = 0.270525 (3.91935)
Comm time (%) = 0.00593114 (0.0859301)
Outpt time (%) = 0.063314 (0.91729)
Other time (%) = 0.850676 (12.3246)
Nlocal: 8141 ave 8141 max 8141 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: 71389 ave 71389 max 71389 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 71389
Ave neighs/atom = 8.76907
Neighbor list builds = 100
Dangerous builds = 0
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