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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2365 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-01-09 22:13:32 +00:00
parent 25baa261e9
commit 0f29eb20fe
15 changed files with 111 additions and 111 deletions
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14
bench/log.9Jan09.chain.fixed.linux.1
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@ -36,14 +36,14 @@ Memory usage per processor = 8.37288 Mbytes
Step Temp E_pair E_mol TotEng Press
0 0.97029772 0.44484087 20.494523 22.394765 4.6721833
100 0.97434451 0.439712 20.499596 22.400779 4.6558589
Loop time of 2.03092 on 1 procs for 100 steps with 32000 atoms
Loop time of 1.94308 on 1 procs for 100 steps with 32000 atoms
Pair time (%) = 0.530133 (26.1031)
Bond time (%) = 0.248769 (12.2491)
Neigh time (%) = 0.773854 (38.1036)
Comm time (%) = 0.0591824 (2.91407)
Outpt time (%) = 0.000180006 (0.00886327)
Other time (%) = 0.418803 (20.6213)
Pair time (%) = 0.484938 (24.9571)
Bond time (%) = 0.247065 (12.7151)
Neigh time (%) = 0.739737 (38.0702)
Comm time (%) = 0.0544686 (2.8032)
Outpt time (%) = 0.000195026 (0.0100369)
Other time (%) = 0.416682 (21.4443)
Nlocal: 32000 ave 32000 max 32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

14
bench/log.9Jan09.chain.fixed.linux.4
View File

@ -36,14 +36,14 @@ Memory usage per processor = 3.56846 Mbytes
Step Temp E_pair E_mol TotEng Press
0 0.97029772 0.44484087 20.494523 22.394765 4.6721833
100 0.96717514 0.4422441 20.503712 22.396674 4.6686541
Loop time of 0.533736 on 4 procs for 100 steps with 32000 atoms
Loop time of 0.511235 on 4 procs for 100 steps with 32000 atoms
Pair time (%) = 0.0891582 (16.7046)
Bond time (%) = 0.0588746 (11.0307)
Neigh time (%) = 0.168715 (31.6102)
Comm time (%) = 0.112924 (21.1572)
Outpt time (%) = 0.000586271 (0.109843)
Other time (%) = 0.103478 (19.3875)
Pair time (%) = 0.0860159 (16.8251)
Bond time (%) = 0.0585467 (11.452)
Neigh time (%) = 0.165503 (32.3732)
Comm time (%) = 0.0969891 (18.9715)
Outpt time (%) = 0.000457227 (0.0894357)
Other time (%) = 0.103723 (20.2887)
Nlocal: 8000 ave 8024 max 7973 min
Histogram: 1 0 0 1 0 0 0 1 0 1

14
bench/log.9Jan09.chain.scaled.linux.4
View File

@ -52,14 +52,14 @@ Memory usage per processor = 10.0339 Mbytes
Step Temp E_pair E_mol TotEng Press
0 0.97027498 0.44484087 20.494523 22.394765 4.6721833
100 0.97400897 0.44134715 20.501052 22.403401 4.6879813
Loop time of 2.50981 on 4 procs for 100 steps with 128000 atoms
Loop time of 2.49274 on 4 procs for 100 steps with 128000 atoms
Pair time (%) = 0.530044 (21.1189)
Bond time (%) = 0.267865 (10.6727)
Neigh time (%) = 0.786584 (31.3403)
Comm time (%) = 0.288274 (11.4859)
Outpt time (%) = 0.000725567 (0.0289092)
Other time (%) = 0.636322 (25.3534)
Pair time (%) = 0.522603 (20.965)
Bond time (%) = 0.266725 (10.7001)
Neigh time (%) = 0.782715 (31.3999)
Comm time (%) = 0.285618 (11.458)
Outpt time (%) = 0.000653207 (0.0262044)
Other time (%) = 0.634421 (25.4508)
Nlocal: 32000 ave 32015 max 31986 min
Histogram: 2 0 0 0 0 0 0 0 1 1

12
bench/log.9Jan09.chute.fixed.linux.1
View File

@ -41,13 +41,13 @@ Memory usage per processor = 33.1524 Mbytes
Step Atoms KinEng 1 Volume
0 32000 784139.13 1601.1263 29830.88
100 32000 784289.99 1571.0137 29831.804
Loop time of 1.82843 on 1 procs for 100 steps with 32000 atoms
Loop time of 1.85041 on 1 procs for 100 steps with 32000 atoms
Pair time (%) = 1.08846 (59.5297)
Neigh time (%) = 0.0839028 (4.58879)
Comm time (%) = 0.0980868 (5.36454)
Outpt time (%) = 0.000559092 (0.0305777)
Other time (%) = 0.557422 (30.4864)
Pair time (%) = 1.08948 (58.8777)
Neigh time (%) = 0.085561 (4.6239)
Comm time (%) = 0.0984347 (5.31962)
Outpt time (%) = 0.000525951 (0.0284236)
Other time (%) = 0.576409 (31.1504)
Nlocal: 32000 ave 32000 max 32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

12
bench/log.9Jan09.chute.fixed.linux.4
View File

@ -41,13 +41,13 @@ Memory usage per processor = 14.5608 Mbytes
Step Atoms KinEng 1 Volume
0 32000 784139.13 1601.1263 29830.88
100 32000 784289.99 1571.0137 29831.804
Loop time of 0.380444 on 4 procs for 100 steps with 32000 atoms
Loop time of 0.351977 on 4 procs for 100 steps with 32000 atoms
Pair time (%) = 0.179283 (47.1246)
Neigh time (%) = 0.0191138 (5.02407)
Comm time (%) = 0.0715591 (18.8093)
Outpt time (%) = 0.00048852 (0.128408)
Other time (%) = 0.11 (28.9136)
Pair time (%) = 0.163966 (46.5842)
Neigh time (%) = 0.0196812 (5.59162)
Comm time (%) = 0.0661123 (18.7831)
Outpt time (%) = 0.000420809 (0.119556)
Other time (%) = 0.101797 (28.9215)
Nlocal: 8000 ave 8010 max 7990 min
Histogram: 2 0 0 0 0 0 0 0 0 2

12
bench/log.9Jan09.chute.scaled.linux.4
View File

@ -51,13 +51,13 @@ Memory usage per processor = 35.1222 Mbytes
Step Atoms KinEng 1 Volume
0 128000 3136556.5 6404.5051 119323.52
100 128000 3137160 6284.0549 119327.22
Loop time of 3.37589 on 4 procs for 100 steps with 128000 atoms
Loop time of 3.33365 on 4 procs for 100 steps with 128000 atoms
Pair time (%) = 1.62026 (47.995)
Neigh time (%) = 0.0885705 (2.62362)
Comm time (%) = 0.308013 (9.1239)
Outpt time (%) = 0.002312 (0.0684858)
Other time (%) = 1.35674 (40.189)
Pair time (%) = 1.55602 (46.6762)
Neigh time (%) = 0.0902495 (2.70723)
Comm time (%) = 0.307178 (9.21448)
Outpt time (%) = 0.00193202 (0.0579552)
Other time (%) = 1.37827 (41.3441)
Nlocal: 32000 ave 32000 max 32000 min
Histogram: 4 0 0 0 0 0 0 0 0 0

12
bench/log.9Jan09.eam.fixed.linux.1
View File

@ -46,13 +46,13 @@ Step Temp E_pair E_mol TotEng Press
0 1600 -113280 0 -106662.09 18703.573
50 781.69049 -109873.35 0 -106640.13 52273.088
100 801.832 -109957.3 0 -106640.77 51322.821
Loop time of 11.5642 on 1 procs for 100 steps with 32000 atoms
Loop time of 11.5404 on 1 procs for 100 steps with 32000 atoms
Pair time (%) = 10.3929 (89.8717)
Neigh time (%) = 0.881366 (7.62153)
Comm time (%) = 0.0753665 (0.651725)
Outpt time (%) = 0.000486135 (0.00420381)
Other time (%) = 0.214035 (1.85085)
Pair time (%) = 10.3766 (89.9153)
Neigh time (%) = 0.887614 (7.69138)
Comm time (%) = 0.0720561 (0.624382)
Outpt time (%) = 0.000415087 (0.00359682)
Other time (%) = 0.203732 (1.76538)
Nlocal: 32000 ave 32000 max 32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

12
bench/log.9Jan09.eam.fixed.linux.4
View File

@ -46,13 +46,13 @@ Step Temp E_pair E_mol TotEng Press
0 1600 -113280 0 -106662.09 18703.573
50 781.69049 -109873.35 0 -106640.13 52273.088
100 801.832 -109957.3 0 -106640.77 51322.821
Loop time of 3.00127 on 4 procs for 100 steps with 32000 atoms
Loop time of 2.96272 on 4 procs for 100 steps with 32000 atoms
Pair time (%) = 2.56049 (85.3135)
Neigh time (%) = 0.220936 (7.36143)
Comm time (%) = 0.161708 (5.38798)
Outpt time (%) = 0.000860035 (0.0286557)
Other time (%) = 0.0572762 (1.9084)
Pair time (%) = 2.53518 (85.5692)
Neigh time (%) = 0.221443 (7.4743)
Comm time (%) = 0.152706 (5.15424)
Outpt time (%) = 0.000851989 (0.028757)
Other time (%) = 0.0525432 (1.77348)
Nlocal: 8000 ave 8008 max 7993 min
Histogram: 2 0 0 0 0 0 0 0 1 1

12
bench/log.9Jan09.eam.scaled.linux.4
View File

@ -46,13 +46,13 @@ Step Temp E_pair E_mol TotEng Press
0 1600 -453120 0 -426647.73 18704.012
50 779.50001 -439457.02 0 -426560.06 52355.276
100 797.97828 -439764.76 0 -426562.07 51474.74
Loop time of 12.41 on 4 procs for 100 steps with 128000 atoms
Loop time of 12.4126 on 4 procs for 100 steps with 128000 atoms
Pair time (%) = 10.5682 (85.1589)
Neigh time (%) = 0.972487 (7.83633)
Comm time (%) = 0.387733 (3.12436)
Outpt time (%) = 0.00146055 (0.0117692)
Other time (%) = 0.480096 (3.86862)
Pair time (%) = 10.5795 (85.2322)
Neigh time (%) = 0.98051 (7.89934)
Comm time (%) = 0.377976 (3.04511)
Outpt time (%) = 0.0014239 (0.0114714)
Other time (%) = 0.47315 (3.81187)
Nlocal: 32000 ave 32092 max 31914 min
Histogram: 1 0 0 1 0 1 0 0 0 1

12
bench/log.9Jan09.lj.fixed.linux.1
View File

@ -43,13 +43,13 @@ Memory usage per processor = 11.5405 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1.44 -6.7733681 0 -4.6134356 -5.0197073
100 0.7574531 -5.7585055 0 -4.6223613 0.20726105
Loop time of 4.28707 on 1 procs for 100 steps with 32000 atoms
Loop time of 4.26341 on 1 procs for 100 steps with 32000 atoms
Pair time (%) = 3.6872 (86.0075)
Neigh time (%) = 0.363374 (8.47604)
Comm time (%) = 0.0615745 (1.43628)
Outpt time (%) = 0.000239849 (0.00559471)
Other time (%) = 0.17468 (4.07457)
Pair time (%) = 3.6779 (86.2667)
Neigh time (%) = 0.366276 (8.59114)
Comm time (%) = 0.0579388 (1.35898)
Outpt time (%) = 0.000221968 (0.00520634)
Other time (%) = 0.161072 (3.77802)
Nlocal: 32000 ave 32000 max 32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

12
bench/log.9Jan09.lj.fixed.linux.4
View File

@ -43,13 +43,13 @@ Memory usage per processor = 3.77112 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1.44 -6.7733681 0 -4.6134356 -5.0197073
100 0.7574531 -5.7585055 0 -4.6223613 0.20726105
Loop time of 1.15946 on 4 procs for 100 steps with 32000 atoms
Loop time of 1.13233 on 4 procs for 100 steps with 32000 atoms
Pair time (%) = 0.878825 (75.7963)
Neigh time (%) = 0.0893251 (7.70404)
Comm time (%) = 0.151175 (13.0384)
Outpt time (%) = 0.000439286 (0.0378872)
Other time (%) = 0.0396926 (3.42338)
Pair time (%) = 0.863788 (76.2842)
Neigh time (%) = 0.0899835 (7.94676)
Comm time (%) = 0.146824 (12.9666)
Outpt time (%) = 0.000514269 (0.0454169)
Other time (%) = 0.0312189 (2.75706)
Nlocal: 8000 ave 8037 max 7964 min
Histogram: 2 0 0 0 0 0 0 0 1 1

12
bench/log.9Jan09.lj.scaled.linux.4
View File

@ -43,13 +43,13 @@ Memory usage per processor = 11.4634 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1.44 -6.7733681 0 -4.6133849 -5.0196788
100 0.75841891 -5.759957 0 -4.6223375 0.20008866
Loop time of 4.87984 on 4 procs for 100 steps with 128000 atoms
Loop time of 4.83113 on 4 procs for 100 steps with 128000 atoms
Pair time (%) = 3.73 (76.4369)
Neigh time (%) = 0.355545 (7.28599)
Comm time (%) = 0.398626 (8.16882)
Outpt time (%) = 0.000897169 (0.0183852)
Other time (%) = 0.394776 (8.08993)
Pair time (%) = 3.72908 (77.1885)
Neigh time (%) = 0.357173 (7.39314)
Comm time (%) = 0.342958 (7.09891)
Outpt time (%) = 0.000697494 (0.0144375)
Other time (%) = 0.401227 (8.30502)
Nlocal: 32000 ave 32060 max 31939 min
Histogram: 1 0 1 0 0 0 0 1 0 1

24
bench/log.9Jan09.rhodo.fixed.linux.1
View File

@ -58,30 +58,30 @@ PotEng = -46801.0393 E_bond = 2537.9940 E_angle = 10921.3742
E_dihed = 5211.7865 E_impro = 213.5116 E_vdwl = -2307.8634
E_coul = 207021.6578 E_long = -270399.5000 Press = -142.6055
Volume = 307995.0335
---------------- Step 50 ----- CPU = 38.3140 (sec) ----------------
---------------- Step 50 ----- CPU = 37.1470 (sec) ----------------
TotEng = -25330.0565 KinEng = 21501.0002 Temp = 299.8229
PotEng = -46831.0567 E_bond = 2471.7010 E_angle = 10836.4978
E_dihed = 5239.6302 E_impro = 227.1217 E_vdwl = -1993.2861
E_coul = 206793.4380 E_long = -270406.1593 Press = 237.6633
Volume = 308031.6776
---------------- Step 100 ----- CPU = 77.4579 (sec) ----------------
---------------- Step 100 ----- CPU = 75.1354 (sec) ----------------
TotEng = -25290.7382 KinEng = 21592.0112 Temp = 301.0920
PotEng = -46882.7493 E_bond = 2567.9820 E_angle = 10781.9426
E_dihed = 5198.7430 E_impro = 216.7831 E_vdwl = -1902.4962
E_coul = 206655.0353 E_long = -270400.7390 Press = 6.9485
Volume = 308134.2307
Loop time of 77.458 on 1 procs for 100 steps with 32000 atoms
Loop time of 75.1355 on 1 procs for 100 steps with 32000 atoms
Pair time (%) = 57.5481 (74.2959)
Bond time (%) = 2.74544 (3.54442)
Kspce time (%) = 6.23445 (8.04882)
Neigh time (%) = 8.52504 (11.006)
Comm time (%) = 0.216151 (0.279056)
Outpt time (%) = 0.000380754 (0.000491562)
Other time (%) = 2.18842 (2.8253)
Pair time (%) = 55.5501 (73.9332)
Bond time (%) = 2.72528 (3.62716)
Kspce time (%) = 6.11772 (8.14225)
Neigh time (%) = 8.37398 (11.1452)
Comm time (%) = 0.206403 (0.274708)
Outpt time (%) = 0.000414848 (0.000552134)
Other time (%) = 2.1616 (2.87694)
FFT time (% of Kspce) = 0.443897 (7.12007)
FFT Gflps 3d (1d only) = 1.17076 1.72232
FFT time (% of Kspce) = 0.43406 (7.09513)
FFT Gflps 3d (1d only) = 1.19729 1.73014
Nlocal: 32000 ave 32000 max 32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

24
bench/log.9Jan09.rhodo.fixed.linux.4
View File

@ -58,30 +58,30 @@ PotEng = -46801.0393 E_bond = 2537.9940 E_angle = 10921.3742
E_dihed = 5211.7865 E_impro = 213.5116 E_vdwl = -2307.8634
E_coul = 207021.6578 E_long = -270399.5000 Press = -142.6055
Volume = 307995.0335
---------------- Step 50 ----- CPU = 9.2803 (sec) ----------------
---------------- Step 50 ----- CPU = 9.3752 (sec) ----------------
TotEng = -25330.0565 KinEng = 21501.0002 Temp = 299.8229
PotEng = -46831.0567 E_bond = 2471.7010 E_angle = 10836.4978
E_dihed = 5239.6302 E_impro = 227.1217 E_vdwl = -1993.2861
E_coul = 206793.4380 E_long = -270406.1593 Press = 237.6633
Volume = 308031.6776
---------------- Step 100 ----- CPU = 18.8670 (sec) ----------------
---------------- Step 100 ----- CPU = 19.0189 (sec) ----------------
TotEng = -25290.7382 KinEng = 21592.0112 Temp = 301.0920
PotEng = -46882.7494 E_bond = 2567.9820 E_angle = 10781.9426
E_dihed = 5198.7430 E_impro = 216.7831 E_vdwl = -1902.4962
E_coul = 206655.0352 E_long = -270400.7391 Press = 6.9485
Volume = 308134.2307
Loop time of 18.8674 on 4 procs for 100 steps with 32000 atoms
Loop time of 19.0195 on 4 procs for 100 steps with 32000 atoms
Pair time (%) = 12.5283 (66.4019)
Bond time (%) = 0.674376 (3.57429)
Kspce time (%) = 2.40336 (12.7381)
Neigh time (%) = 1.93746 (10.2688)
Comm time (%) = 0.45106 (2.39068)
Outpt time (%) = 0.00137442 (0.00728463)
Other time (%) = 0.871471 (4.61891)
Pair time (%) = 12.4864 (65.6503)
Bond time (%) = 0.675608 (3.55218)
Kspce time (%) = 2.5226 (13.2632)
Neigh time (%) = 1.92456 (10.1188)
Comm time (%) = 0.488407 (2.56793)
Outpt time (%) = 0.00168824 (0.00887637)
Other time (%) = 0.920283 (4.83862)
FFT time (% of Kspce) = 0.367566 (15.2939)
FFT Gflps 3d (1d only) = 1.41389 6.65193
FFT time (% of Kspce) = 0.394826 (15.6516)
FFT Gflps 3d (1d only) = 1.31627 6.72146
Nlocal: 8000 ave 8143 max 7933 min
Histogram: 1 2 0 0 0 0 0 0 0 1

24
bench/log.9Jan09.rhodo.scaled.linux.4
View File

@ -79,30 +79,30 @@ PotEng = -187204.8179 E_bond = 10151.9760 E_angle = 43685.4968
E_dihed = 20847.1460 E_impro = 854.0463 E_vdwl = -9231.4538
E_coul = 827025.3455 E_long = -1080537.3748 Press = -142.3110
Volume = 1231980.1340
---------------- Step 50 ----- CPU = 36.8473 (sec) ----------------
---------------- Step 50 ----- CPU = 36.7780 (sec) ----------------
TotEng = -101320.2392 KinEng = 86003.4766 Temp = 299.8118
PotEng = -187323.7158 E_bond = 9887.1093 E_angle = 43346.7930
E_dihed = 20958.7048 E_impro = 908.4715 E_vdwl = -7973.4918
E_coul = 826113.2245 E_long = -1080564.5270 Press = 237.9865
Volume = 1232126.6400
---------------- Step 100 ----- CPU = 75.3270 (sec) ----------------
---------------- Step 100 ----- CPU = 75.0375 (sec) ----------------
TotEng = -101158.0378 KinEng = 86355.6419 Temp = 301.0394
PotEng = -187513.6797 E_bond = 10272.0762 E_angle = 43128.6553
E_dihed = 20793.9769 E_impro = 867.0831 E_vdwl = -7586.7842
E_coul = 825555.6424 E_long = -1080544.3294 Press = 15.1826
Volume = 1232536.8037
Loop time of 75.3276 on 4 procs for 100 steps with 128000 atoms
Loop time of 75.038 on 4 procs for 100 steps with 128000 atoms
Pair time (%) = 52.0978 (69.1617)
Bond time (%) = 2.7286 (3.62232)
Kspce time (%) = 8.03362 (10.6649)
Neigh time (%) = 8.05846 (10.6979)
Comm time (%) = 0.959758 (1.27411)
Outpt time (%) = 0.00157326 (0.00208856)
Other time (%) = 3.44773 (4.57698)
Pair time (%) = 51.8107 (69.0459)
Bond time (%) = 2.73268 (3.64172)
Kspce time (%) = 8.13185 (10.837)
Neigh time (%) = 7.95464 (10.6008)
Comm time (%) = 0.946348 (1.26116)
Outpt time (%) = 0.00172728 (0.00230188)
Other time (%) = 3.46009 (4.61111)
FFT time (% of Kspce) = 1.5589 (19.4047)
FFT Gflps 3d (1d only) = 1.53622 6.10821
FFT time (% of Kspce) = 1.69206 (20.8078)
FFT Gflps 3d (1d only) = 1.41532 6.11725
Nlocal: 32000 ave 32000 max 32000 min
Histogram: 4 0 0 0 0 0 0 0 0 0