ATC version 2.0, date: Aug28

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10696 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
rjones
2013-08-28 22:16:56 +00:00
parent 8d6d4e9289
commit 07e3b8c7d7
91 changed files with 4367 additions and 4059 deletions

View File

@ -1,4 +1,4 @@
LAMMPS (24 Aug 2013)
LAMMPS (27 Aug 2013)
units real
atom_style atomic
@ -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 11.0593 on 4 procs for 500 steps with 3168 atoms
Loop time of 8.85008 on 4 procs for 500 steps with 3168 atoms
Pair time (%) = 2.74711 (24.8398)
Neigh time (%) = 0.0633113 (0.57247)
Comm time (%) = 1.36527 (12.345)
Outpt time (%) = 0.000416458 (0.00376567)
Other time (%) = 6.88321 (62.239)
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)
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 27.5223 on 4 procs for 1000 steps with 3168 atoms
Loop time of 28.8873 on 4 procs for 1000 steps with 3168 atoms
Pair time (%) = 4.97271 (18.0679)
Neigh time (%) = 0.0969956 (0.352426)
Comm time (%) = 1.52383 (5.53671)
Outpt time (%) = 0.0563247 (0.204651)
Other time (%) = 20.8724 (75.8383)
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)
Nlocal: 792 ave 944 max 640 min
Histogram: 2 0 0 0 0 0 0 0 0 2