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ATC version 2.0, date: Aug28

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10696 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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rjones
2013-08-28 22:16:56 +00:00
parent 8d6d4e9289
commit 07e3b8c7d7
91 changed files with 4367 additions and 4059 deletions
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38
examples/USER/atc/two_temperature/restart.screen
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@ -1,4 +1,4 @@
LAMMPS (24 Aug 2013)
LAMMPS (27 Aug 2013)
Reading data file ...
orthogonal box = (-64.86 -16.215 -16.215) to (64.86 16.215 16.215)
4 by 1 by 1 MPI processor grid
@ -28,13 +28,13 @@ Step Temp E_pair E_mol TotEng Press
800 16.671491 -6503.8814 0 -6332.1868 -1228.9533
900 16.671491 -6505.846 0 -6334.1514 -1235.4657
1000 16.671491 -6504.4261 0 -6332.7314 -1231.2716
Loop time of 20.5974 on 4 procs for 1000 steps with 3456 atoms
Loop time of 21.2328 on 4 procs for 1000 steps with 3456 atoms
Pair time (%) = 9.35576 (45.422)
Neigh time (%) = 3.90098 (18.9392)
Comm time (%) = 1.25819 (6.10851)
Outpt time (%) = 0.000772417 (0.00375007)
Other time (%) = 6.0817 (29.5266)
Pair time (%) = 9.10513 (42.8824)
Neigh time (%) = 3.86009 (18.1799)
Comm time (%) = 1.60985 (7.58191)
Outpt time (%) = 0.000943601 (0.00444407)
Other time (%) = 6.65677 (31.3514)
Nlocal: 864 ave 864 max 864 min
Histogram: 4 0 0 0 0 0 0 0 0 0
@ -76,13 +76,13 @@ Step Temp E_pair E_mol TotEng Press
1800 21.314998 -6465.4549 0 -6245.9382 -1104.9574
1900 21.353208 -6458.9075 0 -6238.9973 -1085.5335
2000 21.394021 -6453.327 0 -6232.9964 -1069.954
Loop time of 52.9477 on 4 procs for 2000 steps with 3456 atoms
Loop time of 50.0809 on 4 procs for 2000 steps with 3456 atoms
Pair time (%) = 18.7305 (35.3756)
Neigh time (%) = 7.97339 (15.059)
Comm time (%) = 4.48491 (8.47046)
Outpt time (%) = 0.00192118 (0.00362844)
Other time (%) = 21.7569 (41.0913)
Pair time (%) = 18.4234 (36.7873)
Neigh time (%) = 7.85611 (15.6868)
Comm time (%) = 3.43103 (6.85097)
Outpt time (%) = 0.0019564 (0.00390649)
Other time (%) = 20.3684 (40.671)
Nlocal: 864 ave 864 max 864 min
Histogram: 4 0 0 0 0 0 0 0 0 0
@ -137,13 +137,13 @@ Step Temp E_pair E_mol TotEng Press
1800 27.343301 -6410.2665 0 -6128.6661 -928.15556
1900 27.586019 -6407.6536 0 -6123.5535 -917.44798
2000 27.450662 -6401.9839 0 -6119.2778 -903.28749
Loop time of 59.816 on 4 procs for 2000 steps with 3456 atoms
Loop time of 53.8605 on 4 procs for 2000 steps with 3456 atoms
Pair time (%) = 19.4492 (32.5151)
Neigh time (%) = 8.25768 (13.8051)
Comm time (%) = 6.96015 (11.6359)
Outpt time (%) = 0.0169593 (0.0283525)
Other time (%) = 25.132 (42.0155)
Pair time (%) = 18.7079 (34.7339)
Neigh time (%) = 8.06432 (14.9726)
Comm time (%) = 4.4794 (8.31666)
Outpt time (%) = 0.00981998 (0.0182322)
Other time (%) = 22.5991 (41.9586)
Nlocal: 864 ave 864 max 864 min
Histogram: 4 0 0 0 0 0 0 0 0 0