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ATC version 2.0, date: Aug22

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10659 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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rjones
2013-08-23 00:14:37 +00:00
parent dddbef699d
commit 31b31f0a6a
77 changed files with 3976 additions and 3876 deletions
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36
examples/USER/atc/two_temperature/restart.screen
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@ -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 23.4272 on 4 procs for 1000 steps with 3456 atoms
Loop time of 20.5974 on 4 procs for 1000 steps with 3456 atoms
Pair time (%) = 9.36357 (39.9688)
Neigh time (%) = 3.93938 (16.8154)
Comm time (%) = 2.73969 (11.6945)
Outpt time (%) = 0.0506954 (0.216396)
Other time (%) = 7.33384 (31.3049)
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)
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 49.0651 on 4 procs for 2000 steps with 3456 atoms
Loop time of 52.9477 on 4 procs for 2000 steps with 3456 atoms
Pair time (%) = 18.3817 (37.4639)
Neigh time (%) = 7.85155 (16.0023)
Comm time (%) = 3.80993 (7.76504)
Outpt time (%) = 0.00193298 (0.00393962)
Other time (%) = 19.02 (38.7648)
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)
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 46.7856 on 4 procs for 2000 steps with 3456 atoms
Loop time of 59.816 on 4 procs for 2000 steps with 3456 atoms
Pair time (%) = 17.9989 (38.471)
Neigh time (%) = 7.6469 (16.3446)
Comm time (%) = 2.80464 (5.99468)
Outpt time (%) = 0.00892645 (0.0190795)
Other time (%) = 18.3262 (39.1707)
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)
Nlocal: 864 ave 864 max 864 min
Histogram: 4 0 0 0 0 0 0 0 0 0