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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3691 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-01-14 23:33:28 +00:00
parent 4a63d33e56
commit 2e51680815
90 changed files with 5491 additions and 5479 deletions
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62
examples/ellipse/log.ellipse.gayberne.7Jul09.linux.1 → examples/ellipse/log.ellipse.gayberne.15Jan10.linux.1
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@ -1,4 +1,4 @@
LAMMPS (7 Jul 2009)
LAMMPS (15 Jan 2010)
# GayBerne ellipsoids in LJ background fluid
units lj
@ -86,13 +86,13 @@ Step rot E_pair TotEng Press Volume
1800 2.0778263 -3.0986863 -1.0206119 1.0072124 1165.8323
1900 1.8691514 -3.1095986 -1.2252585 0.80808749 1190.9616
2000 1.9636929 -3.1701486 -1.2453089 1.1030872 1176.9149
Loop time of 1.28617 on 1 procs for 2000 steps with 400 atoms
Loop time of 1.24378 on 1 procs for 2000 steps with 400 atoms
Pair time (%) = 0.951904 (74.0108)
Neigh time (%) = 0.0133066 (1.03459)
Comm time (%) = 0.0219898 (1.70971)
Outpt time (%) = 0.0353186 (2.74603)
Other time (%) = 0.26365 (20.4989)
Pair time (%) = 0.937422 (75.3688)
Neigh time (%) = 0.0133233 (1.0712)
Comm time (%) = 0.0221403 (1.78008)
Outpt time (%) = 0.0358324 (2.88093)
Other time (%) = 0.235062 (18.899)
Nlocal: 400 ave 400 max 400 min
Histogram: 1 0 0 0 0 0 0 0 0 0
@ -119,38 +119,38 @@ Step rot E_pair TotEng Press Volume
2200 1.9734868 -3.180021 -1.1802031 0.79402849 1176.9149
2300 1.9986019 -3.2105474 -1.2230998 0.74682884 1176.9149
2400 2.0588205 -3.2718877 -1.1680025 0.65794827 1176.9149
2500 2.0355465 -3.2470842 -1.2102204 0.72578427 1176.9149
2500 2.0355465 -3.2470842 -1.2102204 0.72578419 1176.9149
2600 2.0540807 -3.2674127 -1.1840975 0.60223246 1176.9149
2700 2.0456157 -3.2583554 -1.1779378 0.59980956 1176.9149
2800 2.0425069 -3.2552515 -1.1892995 0.70080558 1176.9149
2900 1.9846447 -3.1943089 -1.211548 0.66454123 1176.9149
3000 1.9581267 -3.1653408 -1.1986865 0.50979241 1176.9149
3100 1.9857519 -3.196385 -1.2561281 0.37822403 1176.9149
3200 2.0078473 -3.2179799 -1.2236724 0.48253586 1176.9149
3300 1.9795567 -3.1906594 -1.2047186 0.59643309 1176.9149
3400 2.0438513 -3.259455 -1.2261651 0.28801434 1176.9149
3500 1.9983422 -3.2112107 -1.1856695 0.64016644 1176.9149
3600 2.0657426 -3.2834765 -1.1708326 0.59177871 1176.9149
3700 1.9780036 -3.1902035 -1.1982156 0.89700655 1176.9149
3800 1.9890928 -3.1997479 -1.1997907 0.52265055 1176.9149
3900 2.1239991 -3.345462 -1.2078372 0.46870544 1176.9149
4000 2.1649924 -3.3906125 -1.2096224 0.54223148 1176.9149
Loop time of 1.42455 on 1 procs for 2000 steps with 400 atoms
2700 2.0456156 -3.2583554 -1.1779378 0.59980964 1176.9149
2800 2.042507 -3.2552516 -1.1892994 0.70080558 1176.9149
2900 1.9846448 -3.194309 -1.2115481 0.66454072 1176.9149
3000 1.9581275 -3.1653416 -1.1986866 0.50978953 1176.9149
3100 1.9857511 -3.1963842 -1.2561279 0.37822548 1176.9149
3200 2.0078476 -3.2179802 -1.2236725 0.48253156 1176.9149
3300 1.9795469 -3.1906488 -1.2047169 0.59646213 1176.9149
3400 2.0438507 -3.2594545 -1.2261653 0.28802035 1176.9149
3500 1.9983349 -3.2112043 -1.1856717 0.64025893 1176.9149
3600 2.0657958 -3.2835288 -1.1708165 0.59150336 1176.9149
3700 1.9785358 -3.1906399 -1.198249 0.89417762 1176.9149
3800 1.9906752 -3.2014137 -1.1999425 0.51940807 1176.9149
3900 2.1230772 -3.3444696 -1.2071896 0.47210296 1176.9149
4000 2.1643492 -3.3899922 -1.2078937 0.5491702 1176.9149
Loop time of 1.40646 on 1 procs for 2000 steps with 400 atoms
Pair time (%) = 1.16149 (81.5333)
Neigh time (%) = 0.00829458 (0.582259)
Comm time (%) = 0.0245788 (1.72537)
Outpt time (%) = 0.035394 (2.48457)
Other time (%) = 0.1948 (13.6745)
Pair time (%) = 1.1426 (81.2394)
Neigh time (%) = 0.00829124 (0.589512)
Comm time (%) = 0.0248113 (1.76409)
Outpt time (%) = 0.0357735 (2.54352)
Other time (%) = 0.194983 (13.8634)
Nlocal: 400 ave 400 max 400 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 228 ave 228 max 228 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 2982 ave 2982 max 2982 min
Neighs: 2984 ave 2984 max 2984 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 2982
Ave neighs/atom = 7.455
Total # of neighbors = 2984
Ave neighs/atom = 7.46
Neighbor list builds = 48
Dangerous builds = 0

66
examples/ellipse/log.ellipse.gayberne.7Jul09.linux.4 → examples/ellipse/log.ellipse.gayberne.15Jan10.linux.4
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@ -1,4 +1,4 @@
LAMMPS (7 Jul 2009)
LAMMPS (15 Jan 2010)
# GayBerne ellipsoids in LJ background fluid
units lj
@ -86,13 +86,13 @@ Step rot E_pair TotEng Press Volume
1800 2.0778263 -3.0986863 -1.0206119 1.0072124 1165.8323
1900 1.8691514 -3.1095986 -1.2252585 0.8080875 1190.9616
2000 1.9636929 -3.1701486 -1.2453089 1.1030872 1176.9149
Loop time of 1.33898 on 4 procs for 2000 steps with 400 atoms
Loop time of 1.37749 on 4 procs for 2000 steps with 400 atoms
Pair time (%) = 0.273349 (20.4147)
Neigh time (%) = 0.0043059 (0.32158)
Comm time (%) = 0.61243 (45.7385)
Outpt time (%) = 0.0558055 (4.16776)
Other time (%) = 0.393091 (29.3575)
Pair time (%) = 0.2726 (19.7896)
Neigh time (%) = 0.00431758 (0.313437)
Comm time (%) = 0.643967 (46.7491)
Outpt time (%) = 0.0542578 (3.93887)
Other time (%) = 0.402352 (29.209)
Nlocal: 100 ave 114 max 80 min
Histogram: 1 0 0 0 0 1 0 1 0 1
@ -117,40 +117,40 @@ Step rot E_pair TotEng Press Volume
2000 1.9636929 -3.1701486 -1.2453089 1.1030872 1176.9149
2100 1.9786552 -3.1838438 -1.1881672 0.49856375 1176.9149
2200 1.9734866 -3.1800209 -1.1802031 0.79402908 1176.9149
2300 1.9986018 -3.2105474 -1.2230997 0.74682867 1176.9149
2300 1.9986018 -3.2105474 -1.2230997 0.74682868 1176.9149
2400 2.0588205 -3.2718878 -1.1680025 0.65794825 1176.9149
2500 2.0355474 -3.2470852 -1.2102204 0.72577927 1176.9149
2600 2.054077 -3.2674087 -1.1840969 0.60224494 1176.9149
2700 2.0456164 -3.2583561 -1.1779364 0.59980308 1176.9149
2800 2.0425065 -3.2552522 -1.1893038 0.70082514 1176.9149
2900 1.9846668 -3.1943343 -1.211564 0.66439571 1176.9149
3000 1.9582131 -3.1654313 -1.1986855 0.50978721 1176.9149
3100 1.9857077 -3.1962192 -1.2559795 0.37864499 1176.9149
3200 2.0077804 -3.2180442 -1.2237558 0.48187735 1176.9149
3300 1.9808187 -3.1918873 -1.204367 0.59486636 1176.9149
3400 2.0455217 -3.2612484 -1.2257972 0.28100735 1176.9149
3500 2.0052495 -3.2187683 -1.1867726 0.6079287 1176.9149
3600 2.0691105 -3.2868598 -1.1679817 0.61490014 1176.9149
3700 1.9948277 -3.2089584 -1.1954019 0.68630191 1176.9149
3800 2.0430164 -3.2562287 -1.1892679 0.44473976 1176.9149
3900 2.0978458 -3.3176889 -1.22864 0.46406845 1176.9149
4000 2.0856862 -3.3047655 -1.2221542 0.81006871 1176.9149
Loop time of 1.20208 on 4 procs for 2000 steps with 400 atoms
2600 2.054077 -3.2674087 -1.1840969 0.60224496 1176.9149
2700 2.0456164 -3.2583561 -1.1779364 0.59980311 1176.9149
2800 2.0425065 -3.2552521 -1.1893038 0.7008251 1176.9149
2900 1.9846668 -3.1943343 -1.211564 0.66439531 1176.9149
3000 1.9582134 -3.1654316 -1.1986856 0.50978652 1176.9149
3100 1.9857076 -3.1962192 -1.2559795 0.37864633 1176.9149
3200 2.0077828 -3.2180462 -1.2237553 0.48187014 1176.9149
3300 1.9808256 -3.1918947 -1.2043652 0.59486158 1176.9149
3400 2.0455326 -3.2612601 -1.2257918 0.28098354 1176.9149
3500 2.0052389 -3.2187557 -1.1867661 0.60799038 1176.9149
3600 2.0691829 -3.2869297 -1.1679508 0.61466287 1176.9149
3700 1.9950443 -3.2091792 -1.1954934 0.68545143 1176.9149
3800 2.0426109 -3.2560435 -1.1896804 0.44732132 1176.9149
3900 2.0970076 -3.3168088 -1.2292766 0.47405199 1176.9149
4000 2.0890394 -3.3081027 -1.2228885 0.77779053 1176.9149
Loop time of 1.28519 on 4 procs for 2000 steps with 400 atoms
Pair time (%) = 0.336934 (28.0292)
Neigh time (%) = 0.00264728 (0.220224)
Comm time (%) = 0.636359 (52.938)
Outpt time (%) = 0.0545325 (4.5365)
Other time (%) = 0.17161 (14.2761)
Pair time (%) = 0.335828 (26.1307)
Neigh time (%) = 0.0026024 (0.202492)
Comm time (%) = 0.709967 (55.2423)
Outpt time (%) = 0.0546753 (4.25427)
Other time (%) = 0.182113 (14.1702)
Nlocal: 100 ave 121 max 70 min
Histogram: 1 0 0 0 0 1 0 1 0 1
Nghost: 145 ave 153 max 130 min
Histogram: 1 0 0 0 0 0 1 0 0 2
Neighs: 748.25 ave 975 max 415 min
Histogram: 1 0 0 0 0 1 0 0 1 1
Neighs: 748.5 ave 976 max 415 min
Histogram: 1 0 0 0 0 1 0 1 0 1
Total # of neighbors = 2993
Ave neighs/atom = 7.4825
Total # of neighbors = 2994
Ave neighs/atom = 7.485
Neighbor list builds = 48
Dangerous builds = 0

38
examples/ellipse/log.ellipse.resquared.7Jul09.linux.1 → examples/ellipse/log.ellipse.resquared.15Jan10.linux.1
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@ -1,4 +1,4 @@
LAMMPS (7 Jul 2009)
LAMMPS (15 Jan 2010)
# RESquared ellipsoids in LJ background fluid
units lj
@ -86,13 +86,13 @@ Step rot E_pair TotEng Press Volume
1800 1.9313351 0.14233089 2.0646735 0.83838184 2321.0971
1900 2.0664832 0.16461014 2.1858936 1.1676882 1900.719
2000 1.9340159 0.16879369 2.1186931 1.3526231 1658.4096
Loop time of 2.31671 on 1 procs for 2000 steps with 400 atoms
Loop time of 2.31973 on 1 procs for 2000 steps with 400 atoms
Pair time (%) = 2.00562 (86.572)
Neigh time (%) = 0.0140145 (0.604931)
Comm time (%) = 0.0164666 (0.710777)
Outpt time (%) = 0.0352602 (1.522)
Other time (%) = 0.245346 (10.5903)
Pair time (%) = 2.00801 (86.5624)
Neigh time (%) = 0.0140963 (0.607669)
Comm time (%) = 0.0165806 (0.714764)
Outpt time (%) = 0.0357938 (1.54302)
Other time (%) = 0.245245 (10.5721)
Nlocal: 400 ave 400 max 400 min
Histogram: 1 0 0 0 0 0 0 0 0 0
@ -128,20 +128,20 @@ Step rot E_pair TotEng Press Volume
3100 1.904216 0.20028068 2.0777595 1.3868716 1658.4096
3200 1.9189112 0.18492982 2.0694131 1.3303671 1658.4096
3300 1.8823023 0.22351465 2.0549802 1.569699 1658.4096
3400 1.9062111 0.19834547 2.0909028 1.452764 1658.4096
3500 1.9502999 0.15174972 2.0880306 1.2382644 1658.4096
3400 1.9062111 0.19834548 2.0909028 1.452764 1658.4096
3500 1.9502999 0.15174971 2.0880306 1.2382643 1658.4096
3600 1.9785898 0.12200286 2.1051594 1.0976011 1658.4096
3700 1.8929662 0.21215613 2.0740517 1.4270687 1658.4096
3800 1.931258 0.17171908 2.0694636 1.3048512 1658.4096
3900 1.9552568 0.14655903 2.09034 1.2083214 1658.4096
4000 1.9147099 0.18934981 2.1044851 1.3672577 1658.4096
Loop time of 4.0974 on 1 procs for 2000 steps with 400 atoms
3700 1.8929662 0.21215612 2.0740516 1.4270687 1658.4096
3800 1.9312581 0.17171893 2.0694635 1.3048501 1658.4096
3900 1.9552568 0.14655904 2.09034 1.2083214 1658.4096
4000 1.9147099 0.18934973 2.104485 1.3672573 1658.4096
Loop time of 4.08906 on 1 procs for 2000 steps with 400 atoms
Pair time (%) = 3.82654 (93.3895)
Neigh time (%) = 0.00626612 (0.152929)
Comm time (%) = 0.0220871 (0.539052)
Outpt time (%) = 0.0352762 (0.860941)
Other time (%) = 0.207231 (5.05762)
Pair time (%) = 3.81754 (93.3598)
Neigh time (%) = 0.00639486 (0.15639)
Comm time (%) = 0.0218513 (0.534384)
Outpt time (%) = 0.0360107 (0.880661)
Other time (%) = 0.207263 (5.06872)
Nlocal: 400 ave 400 max 400 min
Histogram: 1 0 0 0 0 0 0 0 0 0

38
examples/ellipse/log.ellipse.resquared.7Jul09.linux.4 → examples/ellipse/log.ellipse.resquared.15Jan10.linux.4
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@ -1,4 +1,4 @@
LAMMPS (7 Jul 2009)
LAMMPS (15 Jan 2010)
# RESquared ellipsoids in LJ background fluid
units lj
@ -86,13 +86,13 @@ Step rot E_pair TotEng Press Volume
1800 1.9313351 0.14233089 2.0646735 0.83838184 2321.0971
1900 2.0664832 0.16461014 2.1858936 1.1676882 1900.719
2000 1.9340159 0.16879369 2.1186931 1.3526231 1658.4096
Loop time of 1.69373 on 4 procs for 2000 steps with 400 atoms
Loop time of 1.70035 on 4 procs for 2000 steps with 400 atoms
Pair time (%) = 0.531094 (31.3565)
Neigh time (%) = 0.00456786 (0.269693)
Comm time (%) = 0.690881 (40.7906)
Outpt time (%) = 0.05507 (3.25141)
Other time (%) = 0.412114 (24.3318)
Pair time (%) = 0.540676 (31.7979)
Neigh time (%) = 0.0046522 (0.273602)
Comm time (%) = 0.689892 (40.5734)
Outpt time (%) = 0.0557656 (3.27965)
Other time (%) = 0.409368 (24.0755)
Nlocal: 100 ave 109 max 96 min
Histogram: 2 0 1 0 0 0 0 0 0 1
@ -129,19 +129,19 @@ Step rot E_pair TotEng Press Volume
3200 1.9189112 0.1849298 2.069413 1.3303671 1658.4096
3300 1.8823024 0.22351457 2.0549802 1.5696984 1658.4096
3400 1.9062111 0.19834552 2.0909024 1.4527643 1658.4096
3500 1.9503 0.15174953 2.0880305 1.2382624 1658.4096
3600 1.97859 0.12200261 2.105159 1.0976005 1658.4096
3700 1.8929668 0.21215554 2.0740512 1.4270657 1658.4096
3800 1.9312556 0.1717216 2.0694672 1.3048777 1658.4096
3900 1.9552571 0.14655876 2.09034 1.208329 1658.4096
4000 1.9147022 0.18935795 2.1044897 1.3672991 1658.4096
Loop time of 1.97152 on 4 procs for 2000 steps with 400 atoms
3500 1.9503001 0.15174952 2.0880305 1.2382624 1658.4096
3600 1.97859 0.1220026 2.105159 1.0976005 1658.4096
3700 1.8929668 0.21215553 2.0740512 1.4270656 1658.4096
3800 1.9312556 0.17172155 2.0694672 1.3048774 1658.4096
3900 1.955257 0.14655879 2.09034 1.2083291 1658.4096
4000 1.9147022 0.18935788 2.1044897 1.3672987 1658.4096
Loop time of 1.99419 on 4 procs for 2000 steps with 400 atoms
Pair time (%) = 1.0005 (50.7478)
Neigh time (%) = 0.00207973 (0.105488)
Comm time (%) = 0.723748 (36.7101)
Outpt time (%) = 0.0558999 (2.83537)
Other time (%) = 0.18929 (9.6012)
Pair time (%) = 1.01266 (50.7804)
Neigh time (%) = 0.00209349 (0.104979)
Comm time (%) = 0.736648 (36.9396)
Outpt time (%) = 0.0567903 (2.84778)
Other time (%) = 0.186003 (9.32721)
Nlocal: 100 ave 104 max 95 min
Histogram: 1 0 0 1 0 0 0 0 1 1