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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1395 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2008-01-18 21:48:26 +00:00
parent cd1297d507
commit fd0e404679
64 changed files with 2644 additions and 2937 deletions
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34
examples/micelle/log.micelle.5Oct07.linux.1 → examples/micelle/log.micelle.22Jan08.linux.1
View File

@ -1,4 +1,4 @@
LAMMPS (5 Oct 2007)
LAMMPS (22 Jan 2008)
# 2d micelle simulation
dimension 2
@ -38,7 +38,7 @@ fix 3 all enforce2d
thermo 50
run 1000
Memory usage per processor = 1.65429 Mbytes
Memory usage per processor = 1.84502 Mbytes
Step Temp E_pair E_mol TotEng Press
0 0.45 0.40003481 2.2200223e-06 0.84947453 0.78935018
50 0.47417944 0.67716204 0.057387153 1.2081359 1.3374428
@ -61,14 +61,14 @@ Step Temp E_pair E_mol TotEng Press
900 0.45 0.48352312 0.097223467 1.0301841 5.7149691
950 0.49451225 0.46619517 0.094098428 1.0541877 5.8766965
1000 0.45 0.46260893 0.10106179 1.0131082 5.8616912
Loop time of 0.299572 on 1 procs for 1000 steps with 1200 atoms
Loop time of 0.307229 on 1 procs for 1000 steps with 1200 atoms
Pair time (%) = 0.20294 (67.7435)
Bond time (%) = 0.020797 (6.94224)
Neigh time (%) = 0.0272005 (9.07977)
Comm time (%) = 0.00607586 (2.02818)
Outpt time (%) = 0.000560284 (0.187028)
Other time (%) = 0.0419979 (14.0193)
Pair time (%) = 0.209812 (68.2917)
Bond time (%) = 0.0206535 (6.72251)
Neigh time (%) = 0.0273674 (8.90781)
Comm time (%) = 0.00643349 (2.09404)
Outpt time (%) = 0.000555038 (0.18066)
Other time (%) = 0.0424075 (13.8032)
Nlocal: 1200 ave 1200 max 1200 min
Histogram: 1 0 0 0 0 0 0 0 0 0
@ -114,7 +114,7 @@ dump 1 all atom 500 dump.micelle
reset_timestep 0
run 60000
Memory usage per processor = 1.73821 Mbytes
Memory usage per processor = 1.8908 Mbytes
Step Temp E_pair E_mol TotEng Press
0 0.45 -1.6864322 0.10106179 -1.1359329 3.7913551
1000 0.44913703 -1.9350593 0.071369049 -1.4151147 2.1470317
@ -177,14 +177,14 @@ Step Temp E_pair E_mol TotEng Press
58000 0.45 -2.1366398 0.055525068 -1.6316773 0.46829877
59000 0.45897732 -2.1226343 0.055496441 -1.6087343 0.62440113
60000 0.46465277 -2.1313407 0.05734796 -1.6099208 0.4918466
Loop time of 25.4601 on 1 procs for 60000 steps with 1200 atoms
Loop time of 25.4217 on 1 procs for 60000 steps with 1200 atoms
Pair time (%) = 17.8533 (70.1228)
Bond time (%) = 1.24497 (4.88989)
Neigh time (%) = 3.0618 (12.0259)
Comm time (%) = 0.531314 (2.08685)
Outpt time (%) = 0.200944 (0.789252)
Other time (%) = 2.56771 (10.0852)
Pair time (%) = 17.848 (70.2078)
Bond time (%) = 1.20659 (4.74631)
Neigh time (%) = 3.04688 (11.9853)
Comm time (%) = 0.550053 (2.16371)
Outpt time (%) = 0.200696 (0.789469)
Other time (%) = 2.56947 (10.1074)
Nlocal: 1200 ave 1200 max 1200 min
Histogram: 1 0 0 0 0 0 0 0 0 0

34
examples/micelle/log.micelle.5Oct07.linux.4 → examples/micelle/log.micelle.22Jan08.linux.4
View File

@ -1,4 +1,4 @@
LAMMPS (5 Oct 2007)
LAMMPS (22 Jan 2008)
# 2d micelle simulation
dimension 2
@ -38,7 +38,7 @@ fix 3 all enforce2d
thermo 50
run 1000
Memory usage per processor = 1.73333 Mbytes
Memory usage per processor = 2.07665 Mbytes
Step Temp E_pair E_mol TotEng Press
0 0.45 0.40003481 2.2200223e-06 0.84947453 0.78935018
50 0.47417944 0.67716204 0.057387153 1.2081359 1.3374428
@ -61,14 +61,14 @@ Step Temp E_pair E_mol TotEng Press
900 0.45 0.48352312 0.097223467 1.0301841 5.7149691
950 0.49451225 0.46619517 0.094098428 1.0541877 5.8766965
1000 0.45 0.46260893 0.10106179 1.0131082 5.8616912
Loop time of 0.460497 on 4 procs for 1000 steps with 1200 atoms
Loop time of 0.490955 on 4 procs for 1000 steps with 1200 atoms
Pair time (%) = 0.0569301 (12.3627)
Bond time (%) = 0.00555593 (1.20651)
Neigh time (%) = 0.00780004 (1.69383)
Comm time (%) = 0.317558 (68.9598)
Outpt time (%) = 0.0093832 (2.03762)
Other time (%) = 0.0632702 (13.7395)
Pair time (%) = 0.0608874 (12.4018)
Bond time (%) = 0.00615633 (1.25395)
Neigh time (%) = 0.00803632 (1.63687)
Comm time (%) = 0.342579 (69.7779)
Outpt time (%) = 0.00870401 (1.77287)
Other time (%) = 0.0645928 (13.1565)
Nlocal: 300 ave 302 max 294 min
Histogram: 1 0 0 0 0 0 0 0 0 3
@ -114,7 +114,7 @@ dump 1 all atom 500 dump.micelle
reset_timestep 0
run 60000
Memory usage per processor = 1.74489 Mbytes
Memory usage per processor = 2.08821 Mbytes
Step Temp E_pair E_mol TotEng Press
0 0.45 -1.6864322 0.10106179 -1.1359329 3.7913551
1000 0.44913925 -1.9350607 0.071368027 -1.4151148 2.1469799
@ -177,14 +177,14 @@ Step Temp E_pair E_mol TotEng Press
58000 0.44315581 -2.1143795 0.062404579 -1.609373 0.69155981
59000 0.44795459 -2.120618 0.061673573 -1.6115498 0.70340021
60000 0.44468469 -2.1226864 0.068304275 -1.6102533 0.67010695
Loop time of 29.1069 on 4 procs for 60000 steps with 1200 atoms
Loop time of 31.6764 on 4 procs for 60000 steps with 1200 atoms
Pair time (%) = 4.885 (16.783)
Bond time (%) = 0.333251 (1.14492)
Neigh time (%) = 0.788879 (2.71028)
Comm time (%) = 18.8174 (64.6494)
Outpt time (%) = 0.228079 (0.783592)
Other time (%) = 4.05426 (13.9288)
Pair time (%) = 5.20959 (16.4463)
Bond time (%) = 0.359324 (1.13436)
Neigh time (%) = 0.83879 (2.648)
Comm time (%) = 20.8686 (65.8808)
Outpt time (%) = 0.261901 (0.826802)
Other time (%) = 4.13813 (13.0638)
Nlocal: 300 ave 308 max 294 min
Histogram: 2 0 0 0 0 0 0 1 0 1