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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2366 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-01-09 22:18:56 +00:00
parent 0f29eb20fe
commit c8632d65c6
72 changed files with 1528 additions and 2163 deletions
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26
examples/min/log.min.21May08.linux.1 → examples/min/log.min.9Jan09.linux.1
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@ -1,4 +1,4 @@
LAMMPS (21 May 2008)
LAMMPS (9 Jan 2009)
# 2d Lennard-Jones melt and subsequent energy minimization
units lj
@ -45,13 +45,13 @@ Step Temp E_pair E_mol TotEng Press
800 3.3016845 -0.76574803 0 2.5318094 15.639063
900 3.4631643 -0.92710879 0 2.5317266 14.770503
1000 3.3142629 -0.77918518 0 2.5309349 15.655215
Loop time of 0.347704 on 1 procs for 1000 steps with 800 atoms
Loop time of 0.347194 on 1 procs for 1000 steps with 800 atoms
Pair time (%) = 0.232571 (66.8876)
Neigh time (%) = 0.0642586 (18.4808)
Comm time (%) = 0.00830054 (2.38724)
Outpt time (%) = 0.0115886 (3.33289)
Other time (%) = 0.0309854 (8.91142)
Pair time (%) = 0.231744 (66.7477)
Neigh time (%) = 0.0636952 (18.3457)
Comm time (%) = 0.0082705 (2.3821)
Outpt time (%) = 0.0125039 (3.60141)
Other time (%) = 0.0309803 (8.92307)
Nlocal: 800 ave 800 max 800 min
Histogram: 1 0 0 0 0 0 0 0 0 0
@ -83,7 +83,7 @@ Step Temp E_pair E_mol TotEng Press
1400 3.3142629 -2.902264 0 0.40785611 1.6884403
1450 3.3142629 -2.9064602 0 0.40365988 1.7024527
1468 3.3142629 -2.9066747 0 0.40344535 1.7059968
Loop time of 0.777846 on 1 procs for 468 steps with 800 atoms
Loop time of 0.758161 on 1 procs for 468 steps with 800 atoms
Minimization stats:
Stopping criterion = energy tolerance
@ -94,11 +94,11 @@ Minimization stats:
Final line search alpha, max atom move = 0.00526935 0.00166453
Iterations, force evaluations = 468 1861
Pair time (%) = 0.671168 (86.2855)
Neigh time (%) = 0.0293589 (3.77438)
Comm time (%) = 0.010078 (1.29562)
Outpt time (%) = 0.0204384 (2.62757)
Other time (%) = 0.0468025 (6.01694)
Pair time (%) = 0.649628 (85.6847)
Neigh time (%) = 0.0291052 (3.83892)
Comm time (%) = 0.0102394 (1.35055)
Outpt time (%) = 0.0222235 (2.93123)
Other time (%) = 0.0469654 (6.19464)
Nlocal: 800 ave 800 max 800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

26
examples/min/log.min.21May08.linux.4 → examples/min/log.min.9Jan09.linux.4
View File

@ -1,4 +1,4 @@
LAMMPS (21 May 2008)
LAMMPS (9 Jan 2009)
# 2d Lennard-Jones melt and subsequent energy minimization
units lj
@ -45,13 +45,13 @@ Step Temp E_pair E_mol TotEng Press
800 3.3016549 -0.7657205 0 2.5318073 15.639175
900 3.4620767 -0.92601725 0 2.5317318 14.773629
1000 3.287472 -0.75213644 0 2.5312262 15.801806
Loop time of 0.540854 on 4 procs for 1000 steps with 800 atoms
Loop time of 0.510269 on 4 procs for 1000 steps with 800 atoms
Pair time (%) = 0.0630118 (11.6504)
Neigh time (%) = 0.017717 (3.27575)
Comm time (%) = 0.35042 (64.7901)
Outpt time (%) = 0.020339 (3.76053)
Other time (%) = 0.089366 (16.5231)
Pair time (%) = 0.0683098 (13.387)
Neigh time (%) = 0.0191985 (3.76244)
Comm time (%) = 0.319346 (62.584)
Outpt time (%) = 0.021825 (4.27715)
Other time (%) = 0.081589 (15.9894)
Nlocal: 200 ave 202 max 198 min
Histogram: 1 0 1 0 0 0 0 1 0 1
@ -80,7 +80,7 @@ Step Temp E_pair E_mol TotEng Press
1250 3.287472 -2.8734488 0 0.40991379 1.7128405
1300 3.287472 -2.877455 0 0.40590759 1.7118991
1326 3.287472 -2.8781184 0 0.40524418 1.710365
Loop time of 0.745146 on 4 procs for 326 steps with 800 atoms
Loop time of 0.732036 on 4 procs for 326 steps with 800 atoms
Minimization stats:
Stopping criterion = energy tolerance
@ -91,11 +91,11 @@ Minimization stats:
Final line search alpha, max atom move = 0.00240665 0.000400702
Iterations, force evaluations = 326 1206
Pair time (%) = 0.112617 (15.1134)
Neigh time (%) = 0.00467056 (0.626798)
Comm time (%) = 0.36602 (49.1206)
Outpt time (%) = 0.019726 (2.64726)
Other time (%) = 0.242112 (32.4919)
Pair time (%) = 0.124146 (16.959)
Neigh time (%) = 0.00497228 (0.679239)
Comm time (%) = 0.342775 (46.8249)
Outpt time (%) = 0.021087 (2.88059)
Other time (%) = 0.239055 (32.6562)
Nlocal: 200 ave 204 max 197 min
Histogram: 1 0 1 0 1 0 0 0 0 1