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ATC version 2.0, date: Sep1

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10709 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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rjones
2013-09-01 08:07:54 +00:00
parent 2b9171177d
commit 5302074b3f
88 changed files with 4300 additions and 4246 deletions
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30
examples/USER/atc/mesh/semicircle.screen
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@ -1,4 +1,4 @@
LAMMPS (27 Aug 2013)
LAMMPS (30 Aug 2013)
units real
atom_style atomic
@ -74,12 +74,12 @@ fix_modify AtC boundary ghost
fix_modify AtC mesh read semicircle.mesh f f p
ATC: read 398 nodes
ATC: read 176 HEX8 elements
ATC: P1, writing periodicity corrected mesh: periodic_semicircle.mesh
ATC: P3, writing periodicity corrected mesh: periodic_semicircle.mesh
ATC: condensed 199 periodic nodes in the 3 direction
ATC: created nodeset 1 with 44 nodes
ATC: created nodeset 2 with 4 nodes
ATC: P1, writing periodicity corrected mesh: periodic_semicircle.mesh
ATC: P2, writing periodicity corrected mesh: periodic_semicircle.mesh
ATC: P3, writing periodicity corrected mesh: periodic_semicircle.mesh
ATC: WARNING: mesh is not aligned with the coordinate directions atom-to-element mapping will be expensive
ATC: P0, writing periodicity corrected mesh: periodic_semicircle.mesh
fix_modify AtC mesh nodeset_to_elementset 2 hole min
@ -109,13 +109,13 @@ Step Temp E_pair E_mol TotEng Press
300 10.255763 -5191.6455 0 -5094.8288 -564.44341
400 10.255763 -5185.5031 0 -5088.6864 -611.34498
500 10.255763 -5185.1021 0 -5088.2853 -686.81479
Loop time of 8.85008 on 4 procs for 500 steps with 3168 atoms
Loop time of 9.08358 on 4 procs for 500 steps with 3168 atoms
Pair time (%) = 2.42339 (27.3827)
Neigh time (%) = 0.0542718 (0.613235)
Comm time (%) = 0.651604 (7.36269)
Outpt time (%) = 0.000380278 (0.00429688)
Other time (%) = 5.72043 (64.6371)
Pair time (%) = 2.5019 (27.5431)
Neigh time (%) = 0.0543029 (0.597814)
Comm time (%) = 0.724279 (7.97349)
Outpt time (%) = 0.000456929 (0.00503028)
Other time (%) = 5.80264 (63.8806)
Nlocal: 792 ave 944 max 640 min
Histogram: 2 0 0 0 0 0 0 0 0 2
@ -174,13 +174,13 @@ Step Temp E_pair E_mol TotEng Press
800 10.245262 -5181.8268 0 -5085.1092 -707.19351
900 10.342331 -5183.9012 0 -5086.2673 -667.21622
1000 10.446039 -5184.9612 0 -5086.3482 -647.13367
Loop time of 28.8873 on 4 procs for 1000 steps with 3168 atoms
Loop time of 25.9666 on 4 procs for 1000 steps with 3168 atoms
Pair time (%) = 4.99263 (17.2831)
Neigh time (%) = 0.0909939 (0.314996)
Comm time (%) = 1.76148 (6.09779)
Outpt time (%) = 0.0562053 (0.194568)
Other time (%) = 21.986 (76.1095)
Pair time (%) = 4.93896 (19.0204)
Neigh time (%) = 0.0919983 (0.354294)
Comm time (%) = 1.34195 (5.16797)
Outpt time (%) = 0.0565627 (0.217828)
Other time (%) = 19.5372 (75.2395)
Nlocal: 792 ave 944 max 640 min
Histogram: 2 0 0 0 0 0 0 0 0 2