Commit f097174c authored by sjplimp's avatar sjplimp
Browse files

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@299 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 422cb3eb
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+154 −0
Original line number Diff line number Diff line
LAMMPS (12 Feb 2007)
# 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 box = (0 0 -0.278569) to (111.428 77.1994 0.278569)
  2 by 2 by 1 processor grid
create_atoms	1
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
820 atoms in group leftupper
group		leftlower region leftlower
841 atoms in group leftlower

set		leftupper atom 2
  820 settings made
set		leftlower atom 3
  841 settings made
set		lower atom 4
  302 settings made
set		upper atom 5
  302 settings made

# initial velocities

compute	  	new mobile temp
velocity	mobile create 0.01 887723 temp new
velocity	upper set 0.0 0.02 0.0
velocity	mobile ramp vy 0.0 0.02 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		1000
thermo_modify	temp new

neigh_modify	exclude type 2 3
dump		1 all atom 250 dump.crack
run		50000
Memory usage per processor = 1.59725 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
       0  0.010256158   -3.2595015            0   -3.2500081  -0.10145141    4792.6107 
    1000 0.0050480673   -3.2546391            0   -3.2499665  -0.12639136    4792.6107 
    2000 0.0051369915   -3.2543578            0   -3.2496028  -0.15975041    4807.2492 
    3000 0.0052553075   -3.2540343            0   -3.2491699   -0.1774021    4810.8238 
    4000 0.0050641166   -3.2533514            0   -3.2486639  -0.19022921    4811.9955 
    5000 0.0050025515   -3.2525683            0   -3.2479378  -0.24015028    4816.2645 
    6000 0.0049701482   -3.2516756            0   -3.2470751  -0.30916368    4828.9736 
    7000 0.0051250335   -3.2507402            0   -3.2459963  -0.39169622    4833.0704 
    8000 0.0048713476   -3.2493641            0   -3.2448551  -0.47693724    4840.7084 
    9000 0.0049779793   -3.2481153            0   -3.2435076  -0.53299012    4846.9925 
   10000 0.0049128574   -3.2466686            0   -3.2421212  -0.55373718    4857.8418 
   11000 0.0049168986   -3.2450986            0   -3.2405474  -0.55984041     4861.948 
   12000 0.0048612336   -3.2434103            0   -3.2389106  -0.58141697    4864.2222 
   13000 0.0047721181   -3.2414759            0   -3.2370587  -0.62552646    4869.2639 
   14000 0.0048830775   -3.2396196            0   -3.2350997  -0.69800852    4875.2845 
   15000 0.0048743586   -3.2375595            0   -3.2330476  -0.76818454    4889.0238 
   16000 0.0046772021   -3.2352919            0   -3.2309626  -0.82750427    4897.7014 
   17000 0.0047699454   -3.2330635            0   -3.2286483   -0.8579342    4904.3594 
   18000 0.0047753426   -3.2307014            0   -3.2262813  -0.86808974    4910.4271 
   19000 0.0047514879   -3.2281706            0   -3.2237725  -0.85125679    4912.8684 
   20000 0.0048479568   -3.2256981            0   -3.2212107  -0.83903361    4916.6492 
   21000 0.0050005972    -3.223304            0   -3.2186754  -0.86141301    4923.3107 
   22000 0.0051837721   -3.2210129            0   -3.2162147  -0.91497358    4935.0337 
   23000 0.0055014883   -3.2187173            0    -3.213625  -0.98259066    4945.2474 
   24000 0.0059415321   -3.2164221            0   -3.2109225   -1.0173765    4957.1622 
   25000 0.0064260911   -3.2142138            0   -3.2082656  -0.99854249    4959.1051 
   26000 0.0068764456   -3.2118739            0   -3.2055089  -0.96174337    4961.1023 
   27000 0.0067647514   -3.2089962            0   -3.2027346  -0.91577995    4957.1713 
   28000 0.0073747742   -3.2067583            0    -3.199932   -0.9190562    4964.7136 
   29000 0.0081414686   -3.2046855            0   -3.1971496  -0.97705845    4980.1961 
   30000 0.0088053861   -3.2024749            0   -3.1943244  -0.99081318    4997.4212 
   31000 0.0093650101   -3.2005673            0   -3.1918989   -1.0220683    5011.6892 
   32000 0.0098581693   -3.1984747            0   -3.1893498   -1.0266826    5014.6599 
   33000  0.011028173   -3.1969382            0   -3.1867302  -0.94832256    5010.2518 
   34000  0.011643915   -3.1949468            0    -3.184169  -0.90746422    5017.2254 
   35000   0.01332772   -3.1938256            0   -3.1814891  -0.85591111    5047.1343 
   36000  0.014454124   -3.1918323            0   -3.1784532  -0.86634436    5054.2179 
   37000  0.016378188    -3.190944            0    -3.175784  -0.92602308    5077.4837 
   38000  0.017843754   -3.1898052            0   -3.1732887  -0.90546324    5086.0006 
   39000  0.019366756   -3.1887586            0   -3.1708323  -0.80190332    5089.7603 
   40000  0.022135202   -3.1894278            0    -3.168939  -0.71192011    5093.5652 
   41000  0.024807374   -3.1902712            0   -3.1673089    -0.629612    5095.3221 
   42000  0.027696152   -3.1913199            0   -3.1656837  -0.65566924    5086.8449 
   43000  0.028906545   -3.1904171            0   -3.1636605  -0.62599838    5095.1026 
   44000  0.029856229   -3.1894006            0    -3.161765  -0.63227312    5109.8945 
   45000  0.031334749   -3.1888949            0   -3.1598907  -0.62759443    5122.9902 
   46000  0.034602854   -3.1903219            0   -3.1582927  -0.67305941    5123.8907 
   47000  0.034415071   -3.1883711            0   -3.1565157  -0.67895291    5133.6318 
   48000  0.035822122    -3.188003            0   -3.1548452  -0.56873296    5146.4656 
   49000  0.035461417   -3.1863792            0   -3.1535553  -0.49114989    5146.0215 
   50000  0.036039942   -3.1854474            0    -3.152088  -0.47443899    5165.9937 
Loop time of 71.7721 on 4 procs for 50000 steps with 8141 atoms

Pair  time (%) = 45.6852 (63.6532)
Neigh time (%) = 0.910263 (1.26827)
Comm  time (%) = 11.0603 (15.4103)
Outpt time (%) = 3.16426 (4.40877)
Other time (%) = 10.9521 (15.2595)

Nlocal:    2035.25 ave 2093 max 1983 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Nghost:    201.5 ave 246 max 141 min
Histogram: 1 0 0 1 0 0 0 0 0 2
Neighs:    17745.5 ave 18295 max 17485 min
Histogram: 2 1 0 0 0 0 0 0 0 1

Total # of neighbors = 70982
Ave neighs/atom = 8.71908
Neighbor list builds = 491
Dangerous builds = 0
+36 −35
Original line number Diff line number Diff line
LAMMPS (1 Oct 2006)
LAMMPS (12 Feb 2007)
# 2d LJ crack simulation

dimension	2
@@ -11,6 +11,7 @@ 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 box = (0 0 -0.278569) to (111.428 77.1994 0.278569)
@@ -45,12 +46,12 @@ group mobile subtract all boundary
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
820 atoms in group leftupper
group		leftlower region leftlower
841 atoms in group leftlower

set		leftupper atom 2
  841 settings made
  820 settings made
set		leftlower atom 3
  841 settings made
set		lower atom 4
@@ -60,7 +61,7 @@ set upper atom 5

# initial velocities

temperature	new mobile full
compute	  	new mobile temp
velocity	mobile create 0.01 887723 temp new
velocity	upper set 0.0 0.02 0.0
velocity	mobile ramp vy 0.0 0.02 y 1.25 38.75 sum yes
@@ -112,42 +113,42 @@ Step Temp E_pair E_mol TotEng Press Volume
   28000 0.0068038044   -3.2067846            0   -3.2004869  -0.86598793     4967.889 
   29000 0.0077170662   -3.2049416            0   -3.1977985  -0.91334819     4981.938 
   30000 0.0081816546   -3.2027043            0   -3.1951312   -0.9653003     4996.292 
   31000 0.0089120183   -3.2008682            0    -3.192619  -0.99183521    5012.9271 
   32000 0.0095675927   -3.1988646            0   -3.1900086  -0.98991289     5018.881 
   33000  0.010803232   -3.1974474            0   -3.1874477  -0.94112062    5012.4944 
   34000  0.011158339    -3.195224            0   -3.1848955  -0.88514756    5006.3799 
   35000  0.011756548    -3.193118            0   -3.1822359  -0.83787516     5002.794 
   36000  0.011908147   -3.1908085            0    -3.179786  -0.82041392    5013.2137 
   37000   0.01424843   -3.1903622            0   -3.1771736  -0.86593745    5045.4358 
   38000  0.015513677   -3.1889279            0   -3.1745681  -0.84618406    5058.7819 
   39000  0.017516672   -3.1885197            0   -3.1723059  -0.73798007    5086.8443 
   40000  0.019448731   -3.1885754            0   -3.1705732  -0.59681319    5093.1044 
   41000  0.021088915   -3.1885922            0   -3.1690718   -0.5085097    5089.6132 
   42000  0.023948616   -3.1898036            0   -3.1676362  -0.45605083    5082.7572 
   43000  0.025588509   -3.1896794            0   -3.1659941  -0.34855967    5111.1438 
   44000  0.027568866   -3.1906457            0   -3.1651273  -0.41081127     5116.295 
   45000  0.028445821   -3.1899978            0   -3.1636677  -0.36970991    5130.3322 
   46000  0.028961863   -3.1898316            0   -3.1630238  -0.30874643    5129.4113 
   47000  0.029932222   -3.1901868            0   -3.1624809  -0.28285013    5154.4915 
   48000  0.030490267   -3.1898412            0   -3.1616187  -0.29218244    5175.3972 
   49000  0.031743277   -3.1900262            0   -3.1606438  -0.26145795    5180.1115 
   50000  0.031723195   -3.1891208            0   -3.1597571   -0.2519514    5202.1573 
Loop time of 512.873 on 1 procs for 50000 steps with 8141 atoms

Pair  time (%) = 421.19 (82.1237)
Neigh time (%) = 6.63742 (1.29416)
Comm  time (%) = 0.619009 (0.120694)
Outpt time (%) = 7.54941 (1.47198)
Other time (%) = 76.8767 (14.9894)
   31000 0.0089120184   -3.2008682            0    -3.192619  -0.99183522    5012.9271 
   32000 0.0095675926   -3.1988646            0   -3.1900086  -0.98991289     5018.881 
   33000  0.010803233   -3.1974474            0   -3.1874477  -0.94112056    5012.4944 
   34000  0.011158338    -3.195224            0   -3.1848955   -0.8851475    5006.3799 
   35000  0.011756558    -3.193118            0   -3.1822359  -0.83787524     5002.794 
   36000  0.011908028   -3.1908083            0    -3.179786  -0.82041394    5013.2137 
   37000  0.014248791   -3.1903606            0   -3.1771716  -0.86591483    5045.4357 
   38000  0.015514642   -3.1889367            0   -3.1745759  -0.84629532    5058.8659 
   39000  0.017625744   -3.1886096            0   -3.1722948  -0.72912473    5086.8791 
   40000  0.020166221   -3.1891916            0   -3.1705253  -0.57976268    5092.6354 
   41000  0.024585629    -3.191961            0    -3.169204  -0.45986861    5092.2489 
   42000  0.025792679    -3.191911            0   -3.1680367  -0.41104431     5084.743 
   43000  0.027413976   -3.1918738            0   -3.1664988    -0.317039    5103.4238 
   44000  0.029084803   -3.1924106            0    -3.165489  -0.35382128    5093.6381 
   45000  0.028426053   -3.1910339            0   -3.1647221  -0.40685905    5115.0911 
   46000  0.028866755    -3.190439            0   -3.1637193  -0.44541816    5121.2964 
   47000   0.02908918    -3.189657            0   -3.1627313   -0.4265388     5149.429 
   48000  0.028710143   -3.1882276            0   -3.1616528  -0.45494173    5166.6376 
   49000   0.03082438   -3.1885404            0   -3.1600086      -0.4068    5164.3287 
   50000  0.032521821   -3.1887517            0   -3.1586487  -0.31047628     5170.302 
Loop time of 449.517 on 1 procs for 50000 steps with 8141 atoms

Pair  time (%) = 363.166 (80.7903)
Neigh time (%) = 6.23528 (1.38711)
Comm  time (%) = 0.552309 (0.122867)
Outpt time (%) = 7.92898 (1.76389)
Other time (%) = 71.6341 (15.9358)

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:    70611 ave 70611 max 70611 min
Neighs:    70714 ave 70714 max 70714 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 70611
Ave neighs/atom = 8.6735
Neighbor list builds = 495
Total # of neighbors = 70714
Ave neighs/atom = 8.68616
Neighbor list builds = 488
Dangerous builds = 0
+0 −153
Original line number Diff line number Diff line
LAMMPS (1 Oct 2006)
# 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
region		box block 0 100 0 40 -0.25 0.25
create_box	5 box
Created box = (0 0 -0.278569) to (111.428 77.1994 0.278569)
  2 by 2 by 1 processor grid
create_atoms	1
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		leftupper atom 2
  841 settings made
set		leftlower atom 3
  841 settings made
set		lower atom 4
  302 settings made
set		upper atom 5
  302 settings made

# initial velocities

temperature	new mobile full
velocity	mobile create 0.01 887723 temp new
velocity	upper set 0.0 0.02 0.0
velocity	mobile ramp vy 0.0 0.02 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		1000
thermo_modify	temp new

neigh_modify	exclude type 2 3
dump		1 all atom 250 dump.crack
run		50000
Memory usage per processor = 1.59725 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
       0  0.010256205   -3.2595015            0   -3.2500081  -0.10145136    4792.6107 
    1000 0.0050437246    -3.254635            0   -3.2499665  -0.12740271    4792.6107 
    2000 0.0051505282   -3.2543692            0   -3.2496018  -0.15978403    4805.4017 
    3000 0.0052701189   -3.2540454            0   -3.2491672  -0.17795883    4809.4575 
    4000 0.0050604962   -3.2533431            0   -3.2486589  -0.18962575    4812.2411 
    5000 0.0049888551   -3.2525578            0     -3.24794  -0.23962697     4815.939 
    6000 0.0049676582    -3.251678            0   -3.2470799  -0.30927631    4820.4945 
    7000 0.0051188772   -3.2507304            0   -3.2459922   -0.3909741    4828.8381 
    8000 0.0048922662   -3.2493836            0   -3.2448552  -0.47790517    4841.9077 
    9000 0.0049338477   -3.2480837            0   -3.2435168  -0.53340641    4849.3327 
   10000 0.0049211223   -3.2466777            0   -3.2421226  -0.55379297    4855.6764 
   11000  0.004895836   -3.2450776            0   -3.2405459  -0.56007065    4862.5721 
   12000  0.004847489   -3.2434006            0   -3.2389137  -0.57998486    4863.9277 
   13000 0.0047955582   -3.2415024            0   -3.2370635  -0.62542252    4870.6003 
   14000 0.0048552089   -3.2396028            0   -3.2351087    -0.697236     4879.871 
   15000 0.0048752032   -3.2375516            0    -3.233039  -0.76918523    4884.5734 
   16000 0.0046965458   -3.2352968            0   -3.2309496  -0.82908331    4893.1926 
   17000 0.0047868592   -3.2330762            0   -3.2286454  -0.85754888      4901.71 
   18000 0.0047852616   -3.2307132            0   -3.2262838  -0.86919067    4909.8698 
   19000 0.0047361082   -3.2281639            0   -3.2237801  -0.85109691    4912.5836 
   20000 0.0048659736   -3.2257135            0   -3.2212095  -0.83986478    4916.5374 
   21000 0.0049814043   -3.2232926            0   -3.2186817  -0.86128523    4923.9807 
   22000 0.0049472744   -3.2207762            0   -3.2161969  -0.90337572    4931.7271 
   23000 0.0053349592    -3.218575            0   -3.2136369  -0.97893232    4945.9715 
   24000 0.0057755443   -3.2162642            0   -3.2109182   -1.0095182    4956.3791 
   25000 0.0062190601   -3.2140052            0   -3.2082487   -1.0088874    4960.5377 
   26000 0.0068001305   -3.2117942            0   -3.2054998  -0.96727393    4962.4079 
   27000 0.0068225494   -3.2091441            0   -3.2028289  -0.91504959    4962.4468 
   28000 0.0069100602   -3.2064225            0   -3.2000264   -0.9131624    4963.4009 
   29000 0.0077073146   -3.2044225            0   -3.1972885  -0.97931905    4976.6434 
   30000 0.0085530911   -3.2023628            0   -3.1944458   -1.0335604     4991.859 
   31000 0.0090489847   -3.2000739            0    -3.191698   -1.0499238    5006.1205 
   32000  0.009457073    -3.197803            0   -3.1890493   -1.0415395    5007.1136 
   33000 0.0097449781   -3.1954191            0   -3.1863989  -0.97523426    5008.9351 
   34000  0.010638648   -3.1933196            0   -3.1834722  -0.90641914    5009.8972 
   35000  0.011724943   -3.1915042            0   -3.1806513  -0.86280832    5030.2601 
   36000  0.012543854   -3.1897197            0   -3.1781088  -0.84498685    5058.0726 
   37000   0.01425216   -3.1884117            0   -3.1752195  -0.89131599    5072.3266 
   38000  0.017711377    -3.188949            0   -3.1725549  -0.83909256    5084.0891 
   39000  0.022008898     -3.19099            0   -3.1706181  -0.75142283    5087.7576 
   40000  0.026220897   -3.1935289            0   -3.1692583  -0.62636117    5093.7415 
   41000  0.025508399   -3.1919886            0   -3.1683775  -0.42605643    5088.3384 
   42000  0.026889328    -3.192089            0   -3.1671996  -0.34017637    5066.1245 
   43000  0.028720644   -3.1925244            0   -3.1659399  -0.19561049    5083.1913 
   44000  0.031213331   -3.1937329            0   -3.1648411  -0.35065498    5095.7582 
   45000  0.031451475   -3.1922953            0   -3.1631831  -0.53502981    5109.9177 
   46000  0.030623132   -3.1903208            0   -3.1619753  -0.55300441    5125.4041 
   47000     0.031375   -3.1895766            0   -3.1605352   -0.5385838    5157.0846 
   48000  0.030875482   -3.1879308            0   -3.1593517  -0.48509753    5161.8136 
   49000  0.031761391   -3.1879906            0   -3.1585915  -0.44146775    5160.5089 
   50000  0.032235944   -3.1871767            0   -3.1573383  -0.38658394    5152.5279 
Loop time of 71.1028 on 4 procs for 50000 steps with 8141 atoms

Pair  time (%) = 45.4344 (63.8997)
Neigh time (%) = 0.87692 (1.23331)
Comm  time (%) = 10.6446 (14.9707)
Outpt time (%) = 2.95593 (4.15726)
Other time (%) = 11.1909 (15.7391)

Nlocal:    2035.25 ave 2081 max 1974 min
Histogram: 1 0 0 1 0 0 0 0 1 1
Nghost:    203.5 ave 245 max 162 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Neighs:    17703.8 ave 18117 max 17273 min
Histogram: 1 1 0 0 0 0 0 0 1 1

Total # of neighbors = 70815
Ave neighs/atom = 8.69856
Neighbor list builds = 467
Dangerous builds = 0
+122 −0
Original line number Diff line number Diff line
LAMMPS (1 Oct 2006)
LAMMPS (12 Feb 2007)
# 2-d LJ flow simulation

dimension	2
@@ -11,6 +11,7 @@ neigh_modify delay 5
# create geometry

lattice		hex 0.7
Lattice spacing in x,y,z = 1.28436 2.22457 1.28436
region		box block 0 20 0 10 -0.25 0.25
create_box	3 box
Created box = (0 0 -0.321089) to (25.6871 22.2457 0.321089)
@@ -47,7 +48,7 @@ set upper atom 3

# initial velocities

temperature  mobile flow full
compute	     mobile flow temp
velocity     flow create 1.0 482748 temp mobile
fix	     1 all nve
fix	     2 flow temp/rescale 200 1.0 1.0 0.02 1.0
@@ -82,40 +83,40 @@ Step Temp E_pair E_mol TotEng Press Volume
       0            1            0            0   0.71071429   0.54228995    366.96236 
     500    1.0967867   -0.3465085            0   0.43299345    3.3754137    366.96236 
    1000            1  -0.36129869            0    0.3494156     3.254923    366.96236 
    1500    1.1299217  -0.37859354            0   0.42445795    3.0386513    366.96236 
    2000            1  -0.34287377            0   0.36784052    3.1412593    366.96236 
    2500    1.0899881  -0.38633626            0   0.38833382    2.9555542    366.96236 
    3000            1  -0.39357685            0   0.31713744    2.9220544    366.96236 
    3500    1.0725076  -0.43228066            0   0.32996578    3.0634077    366.96236 
    4000   0.98425607  -0.50499218            0   0.19453267    2.6894642    366.96236 
    4500      1.12295  -0.43026613            0   0.36783048    2.8383488    366.96236 
    5000            1  -0.38936492            0   0.32134937    2.7396424    366.96236 
    5500    1.0704014  -0.42922975            0   0.33151984    2.9491395    366.96236 
    6000            1  -0.44518162            0   0.26553266     2.558761    366.96236 
    6500     1.027497  -0.39375667            0   0.33650011    2.6024776    366.96236 
    7000            1  -0.36769731            0   0.34301697    2.5197126    366.96236 
    7500    1.0817191  -0.41108702            0   0.35770623    2.5206643    366.96236 
    8000            1  -0.38737307            0   0.32334122    2.9522698    366.96236 
    8500    1.1947509  -0.43799992            0    0.4111266    2.5630133    366.96236 
    9000            1  -0.37870561            0   0.33200868    3.0568213    366.96236 
    9500    1.1262643  -0.38699772            0   0.41345443     2.631997    366.96236 
   10000            1  -0.39282605            0   0.31788823    2.7840067    366.96236 
Loop time of 1.95426 on 4 procs for 10000 steps with 420 atoms

Pair  time (%) = 0.093526 (4.78575)
Neigh time (%) = 0.0450768 (2.30659)
Comm  time (%) = 1.28476 (65.7414)
Outpt time (%) = 0.177726 (9.0943)
Other time (%) = 0.353174 (18.072)

Nlocal:    105 ave 113 max 98 min
    1500    1.1299217  -0.37859354            0   0.42445794    3.0386512    366.96236 
    2000            1  -0.34287549            0    0.3678388    3.1412475    366.96236 
    2500    1.0894638  -0.38358068            0    0.3907168    2.9575357    366.96236 
    3000            1  -0.38250431            0   0.32820997    2.9128345    366.96236 
    3500    1.1577825  -0.41389292            0   0.40895962    3.0892503    366.96236 
    4000            1  -0.42306155            0   0.28765273    2.5216835    366.96236 
    4500    1.0340697  -0.39435146            0   0.34057665    2.5709158    366.96236 
    5000            1  -0.43445662            0   0.27625767    2.7074512    366.96236 
    5500    1.1091102  -0.45430683            0   0.33395366     2.451199    366.96236 
    6000            1  -0.41166346            0   0.29905082    2.7464633    366.96236 
    6500    1.0003563  -0.40533723            0   0.30563029    2.5834633    366.96236 
    7000            1   -0.3904519            0   0.32026238    2.5201459    366.96236 
    7500    1.1170747  -0.40190088            0   0.39202009    2.6487896    366.96236 
    8000            1  -0.46477384            0   0.24594045    2.6442771    366.96236 
    8500    1.1344912  -0.38276439            0    0.4235347    2.7888644    366.96236 
    9000            1  -0.39709912            0   0.31361516    2.4730908    366.96236 
    9500   0.99852413  -0.45682444            0   0.25284093    2.3290285    366.96236 
   10000            1  -0.45069251            0   0.26002177    2.5361799    366.96236 
Loop time of 2.01982 on 4 procs for 10000 steps with 420 atoms

Pair  time (%) = 0.0898595 (4.4489)
Neigh time (%) = 0.0443295 (2.19473)
Comm  time (%) = 1.36553 (67.6066)
Outpt time (%) = 0.164397 (8.13922)
Other time (%) = 0.355701 (17.6106)

Nlocal:    105 ave 115 max 96 min
Histogram: 2 0 0 0 0 0 0 0 1 1
Nghost:    41.5 ave 44 max 39 min
Histogram: 1 0 0 0 1 0 1 0 0 1
Neighs:    239.25 ave 292 max 197 min
Histogram: 2 0 0 0 0 0 0 1 0 1

Total # of neighbors = 957
Ave neighs/atom = 2.27857
Neighbor list builds = 997
Nghost:    40.25 ave 44 max 37 min
Histogram: 1 0 1 0 0 1 0 0 0 1
Neighs:    237.5 ave 296 max 179 min
Histogram: 2 0 0 0 0 0 0 0 0 2

Total # of neighbors = 950
Ave neighs/atom = 2.2619
Neighbor list builds = 984
Dangerous builds = 0
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