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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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26
examples/USER/atc/two_temperature/uniform_exchange.screen
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@ -1,4 +1,4 @@
LAMMPS (24 Aug 2013)
LAMMPS (27 Aug 2013)
Lattice spacing in x,y,z = 5.405 5.405 5.405
Reading data file ...
orthogonal box = (-64.86 -16.215 -16.215) to (64.86 16.215 16.215)
@ -67,13 +67,13 @@ Step PotEng Temp AtC[2] AtC[4]
480 -6591.7933 19.843386 20 30
490 -6589.9573 19.837677 20 30
500 -6587.2689 19.832888 20 30
Loop time of 12.3006 on 4 procs for 500 steps with 3456 atoms
Loop time of 9.1193 on 4 procs for 500 steps with 3456 atoms
Pair time (%) = 5.16972 (42.0283)
Neigh time (%) = 2.30395 (18.7305)
Comm time (%) = 1.86285 (15.1444)
Outpt time (%) = 0.00649101 (0.0527699)
Other time (%) = 2.95757 (24.0441)
Pair time (%) = 4.7124 (51.675)
Neigh time (%) = 2.08011 (22.81)
Comm time (%) = 0.205331 (2.25161)
Outpt time (%) = 0.00345474 (0.0378839)
Other time (%) = 2.118 (23.2255)
Nlocal: 864 ave 864 max 864 min
Histogram: 4 0 0 0 0 0 0 0 0 0
@ -595,13 +595,13 @@ Step PotEng Temp AtC[2] AtC[4]
5480 -6538.0259 25.322264 25.372916 25.302183
5490 -6538.1544 25.3361 25.386454 25.302798
5500 -6536.8742 25.212636 25.393996 25.303497
Loop time of 129.462 on 4 procs for 5000 steps with 3456 atoms
Loop time of 128.05 on 4 procs for 5000 steps with 3456 atoms
Pair time (%) = 50.9041 (39.3198)
Neigh time (%) = 21.6889 (16.7531)
Comm time (%) = 10.2584 (7.92392)
Outpt time (%) = 0.154454 (0.119304)
Other time (%) = 46.4559 (35.8839)
Pair time (%) = 50.4992 (39.437)
Neigh time (%) = 22.7834 (17.7926)
Comm time (%) = 8.60588 (6.72071)
Outpt time (%) = 0.118921 (0.0928704)
Other time (%) = 46.0428 (35.9568)
Nlocal: 864 ave 864 max 864 min
Histogram: 4 0 0 0 0 0 0 0 0 0