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Updated prd documentation 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3782 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
athomps 2010-02-04 02:29:43 +00:00
parent d77bf92214
commit 5ce854b780
5 changed files with 451 additions and 451 deletions
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208
examples/prd/log.prd.0.15Jan10.linux.4
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@ -73,7 +73,7 @@ neigh_modify every 1 delay 10 check yes
# equilibrate
run 1000
Memory usage per processor = 1.70934 Mbytes
Memory usage per processor = 1.67119 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1802.5039 -2211.666 0 -2092.8401 12351.692
10 996.01982 -2158.3093 0 -2092.649 14285.475
@ -176,13 +176,13 @@ Step Temp E_pair E_mol TotEng Press
980 1204.7062 -2127.2045 0 -2047.7871 9147.2135
990 1237.2369 -2128.9751 0 -2047.4131 9133.9513
1000 1328.5448 -2134.6343 0 -2047.053 8722.3314
Loop time of 3.67204 on 1 procs for 1000 steps with 511 atoms
Loop time of 8.43185 on 1 procs for 1000 steps with 511 atoms
Pair time (%) = 3.59178 (97.8143)
Neigh time (%) = 0.0338798 (0.922641)
Comm time (%) = 0.0136545 (0.37185)
Outpt time (%) = 0.00128222 (0.0349183)
Other time (%) = 0.0314431 (0.856285)
Pair time (%) = 8.23878 (97.7102)
Neigh time (%) = 0.10796 (1.28039)
Comm time (%) = 0.0278754 (0.330597)
Outpt time (%) = 0.00146723 (0.017401)
Other time (%) = 0.0557702 (0.661422)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
@ -221,13 +221,13 @@ prd 2000 100 10 10 100 1 54985 temp 1800 min 1e-05 ${ftol} ${maxiter} ${ma
prd 2000 100 10 10 100 1 54985 temp 1800 min 1e-05 1e-05 ${maxiter} ${maxeval} vel all uniform
prd 2000 100 10 10 100 1 54985 temp 1800 min 1e-05 1e-05 100 ${maxeval} vel all uniform
prd 2000 100 10 10 100 1 54985 temp 1800 min 1e-05 1e-05 100 100 vel all uniform
Memory usage per processor = 3.42595 Mbytes
Memory usage per processor = 3.38781 Mbytes
Step Temp PotEng pe Press press
1000 1328.5448 -2134.6343 -2134.6343 8722.3314 -8722.3314
1010 1328.5448 -2212.9298 -2212.9298 5706.5497 -5706.5497
1016 1328.5448 -2213.2943 -2213.2943 5740.2816 -5740.2816
Loop time of 0.0638092 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.154726 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
1000 1328.5448 -2134.6343 -2134.6343 8722.3314 -8722.3314
1010 1474.1302 -2112.8041 -2112.8041 12721.613 -12721.613
@ -240,8 +240,8 @@ Step Temp PotEng pe Press press
1080 1792.3544 -2097.1618 -2097.1618 14309.055 -14309.055
1090 1787.6848 -2096.3554 -2096.3554 14061.798 -14061.798
1100 1742.2428 -2092.5326 -2092.5326 13825.127 -13825.127
Loop time of 0.390969 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.842189 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
1000 1742.2428 -2092.5326 -2092.5326 13825.127 -13825.127
1010 1727.2017 -2091.501 -2091.501 13179.972 -13179.972
@ -254,14 +254,14 @@ Step Temp PotEng pe Press press
1080 1795.8021 -2095.3953 -2095.3953 13878.071 -13878.071
1090 1710.2662 -2089.697 -2089.697 13899.894 -13899.894
1100 1696.7285 -2088.7287 -2088.7287 13366.098 -13366.098
Loop time of 0.400314 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.1509 Mbytes
Loop time of 0.905255 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.11275 Mbytes
Step Temp PotEng pe Press press
1100 1696.7285 -2088.7287 -2088.7287 13366.098 -13366.098
1110 1696.7285 -2212.4064 -2212.4064 8203.6189 -8203.6189
1117 1696.7285 -2213.2842 -2213.2842 8266.0136 -8266.0136
Loop time of 0.064594 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.161755 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
1100 1696.7285 -2088.7287 -2088.7287 13366.098 -13366.098
1110 1751.8584 -2092.2806 -2092.2806 12942.182 -12942.182
@ -274,14 +274,14 @@ Step Temp PotEng pe Press press
1180 1739.5165 -2090.7661 -2090.7661 13693.388 -13693.388
1190 1711.224 -2088.8155 -2088.8155 13882.49 -13882.49
1200 1778.0053 -2093.1442 -2093.1442 13827.347 -13827.347
Loop time of 0.404826 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.1509 Mbytes
Loop time of 0.888093 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.11275 Mbytes
Step Temp PotEng pe Press press
1200 1778.0053 -2093.1442 -2093.1442 13827.347 -13827.347
1210 1778.0053 -2212.3239 -2212.3239 8807.1694 -8807.1694
1218 1778.0053 -2213.2735 -2213.2735 8813.78 -8813.78
Loop time of 0.066108 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.173672 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
1200 1778.0053 -2093.1442 -2093.1442 13827.347 -13827.347
1210 1747.3716 -2091.0686 -2091.0686 13252.9 -13252.9
@ -294,14 +294,14 @@ Step Temp PotEng pe Press press
1280 1771.4829 -2091.9782 -2091.9782 14430.768 -14430.768
1290 1723.9273 -2088.801 -2088.801 14643.101 -14643.101
1300 1738.2655 -2089.6672 -2089.6672 14103.477 -14103.477
Loop time of 0.403937 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.1509 Mbytes
Loop time of 0.883058 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.11275 Mbytes
Step Temp PotEng pe Press press
1300 1738.2655 -2089.6672 -2089.6672 14103.477 -14103.477
1310 1738.2655 -2212.8963 -2212.8963 8522.9036 -8522.9036
1316 1738.2655 -2213.2792 -2213.2792 8548.5732 -8548.5732
Loop time of 0.071394 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.19674 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
1300 1738.2655 -2089.6672 -2089.6672 14103.477 -14103.477
1310 1871.2276 -2094.3299 -2094.3299 14716.591 -14716.591
@ -314,8 +314,8 @@ Step Temp PotEng pe Press press
1380 1819.7701 -2089.824 -2089.824 13939.213 -13939.213
1390 1827.6756 -2091.6671 -2091.6671 13611.095 -13611.095
1400 1746.2785 -2088.1189 -2088.1189 13939.298 -13939.298
Loop time of 0.404973 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.912747 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
1300 1746.2785 -2088.1189 -2088.1189 13939.298 -13939.298
1310 1768.3656 -2089.5396 -2089.5396 13289.421 -13289.421
@ -328,14 +328,14 @@ Step Temp PotEng pe Press press
1380 1822.3752 -2092.4426 -2092.4426 12525.854 -12525.854
1390 1748.0827 -2087.4812 -2087.4812 13250.131 -13250.131
1400 1739.7653 -2086.8713 -2086.8713 13726.411 -13726.411
Loop time of 0.402766 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.1509 Mbytes
Loop time of 0.99915 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.11275 Mbytes
Step Temp PotEng pe Press press
1400 1739.7653 -2086.8713 -2086.8713 13726.411 -13726.411
1410 1739.7653 -2212.6249 -2212.6249 8517.0184 -8517.0184
1417 1739.7653 -2213.3036 -2213.3036 8561.7313 -8561.7313
Loop time of 0.06655 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.17853 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
1400 1739.7653 -2086.8713 -2086.8713 13726.411 -13726.411
1410 1795.1977 -2090.461 -2090.461 13418.015 -13418.015
@ -348,14 +348,14 @@ Step Temp PotEng pe Press press
1480 1810.9903 -2090.9491 -2090.9491 13536.767 -13536.767
1490 1736.1495 -2085.9774 -2085.9774 12695.659 -12695.659
1500 1715.4419 -2084.5457 -2084.5457 11981.766 -11981.766
Loop time of 0.405806 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.1509 Mbytes
Loop time of 0.895484 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.11275 Mbytes
Step Temp PotEng pe Press press
1500 1715.4419 -2084.5457 -2084.5457 11981.766 -11981.766
1510 1715.4419 -2212.5357 -2212.5357 8344.2836 -8344.2836
1518 1715.4419 -2213.3101 -2213.3101 8394.9665 -8394.9665
Loop time of 0.0827789 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.19067 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
1500 1715.4419 -2093.2259 -2093.2259 11725.795 -11725.795
1510 1691.4098 -2091.5347 -2091.5347 11921.435 -11921.435
@ -368,14 +368,14 @@ Step Temp PotEng pe Press press
1580 1794.2163 -2096.786 -2096.786 13256.174 -13256.174
1590 1760.5244 -2094.4825 -2094.4825 13610.48 -13610.48
1600 1698.3462 -2090.2895 -2090.2895 13931.857 -13931.857
Loop time of 0.40009 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.1509 Mbytes
Loop time of 0.93098 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.11275 Mbytes
Step Temp PotEng pe Press press
1600 1698.3462 -2090.2895 -2090.2895 13931.857 -13931.857
1610 1698.3462 -2212.8887 -2212.8887 8236.3872 -8236.3872
1616 1698.3462 -2213.2873 -2213.2873 8276.0418 -8276.0418
Loop time of 0.0686421 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.173231 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
1600 1698.3462 -2090.2895 -2090.2895 13931.857 -13931.857
1610 1780.0109 -2080.9296 -2080.9296 13076.251 -13076.251
@ -388,8 +388,8 @@ Step Temp PotEng pe Press press
1680 1725.0357 -2080.8346 -2080.8346 13768.898 -13768.898
1690 1794.9427 -2080.4549 -2080.4549 13579.682 -13579.682
1700 1891.2502 -2086.4623 -2086.4623 13634.504 -13634.504
Loop time of 0.408814 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.852273 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
1600 1891.2502 -2086.4623 -2086.4623 13634.504 -13634.504
1610 1875.5424 -2085.5003 -2085.5003 13942.86 -13942.86
@ -402,14 +402,14 @@ Step Temp PotEng pe Press press
1680 1717.2748 -2075.3956 -2075.3956 11134.191 -11134.191
1690 1723.4676 -2075.7397 -2075.7397 12011.752 -12011.752
1700 1850.0865 -2083.9885 -2083.9885 11840.397 -11840.397
Loop time of 0.405423 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.1509 Mbytes
Loop time of 0.912768 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.11275 Mbytes
Step Temp PotEng pe Press press
1700 1850.0865 -2083.9885 -2083.9885 11840.397 -11840.397
1710 1850.0865 -2212.4101 -2212.4101 9248.5453 -9248.5453
1718 1850.0865 -2213.2785 -2213.2785 9316.2958 -9316.2958
Loop time of 0.0821271 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.209852 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
1700 1850.0865 -2083.9885 -2083.9885 11840.397 -11840.397
1710 1827.6158 -2082.4699 -2082.4699 11518.409 -11518.409
@ -422,14 +422,14 @@ Step Temp PotEng pe Press press
1780 1751.4218 -2078.025 -2078.025 11713.295 -11713.295
1790 1789.5873 -2080.5702 -2080.5702 12213.229 -12213.229
1800 1827.9099 -2083.1205 -2083.1205 12049.176 -12049.176
Loop time of 0.407217 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.1509 Mbytes
Loop time of 0.933638 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.11275 Mbytes
Step Temp PotEng pe Press press
1800 1827.9099 -2083.1205 -2083.1205 12049.176 -12049.176
1810 1827.9099 -2212.7624 -2212.7624 9118.5814 -9118.5814
1817 1827.9099 -2213.2724 -2213.2724 9160.8386 -9160.8386
Loop time of 0.0788598 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.210539 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
1800 1827.9099 -2083.1205 -2083.1205 12049.176 -12049.176
1810 1743.6771 -2077.5735 -2077.5735 11928.439 -11928.439
@ -442,14 +442,14 @@ Step Temp PotEng pe Press press
1880 1774.7288 -2079.9517 -2079.9517 13102.495 -13102.495
1890 1849.9769 -2084.9439 -2084.9439 13561.952 -13561.952
1900 1844.9642 -2084.6798 -2084.6798 14254.792 -14254.792
Loop time of 0.402589 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.1509 Mbytes
Loop time of 0.954701 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.11275 Mbytes
Step Temp PotEng pe Press press
1900 1844.9642 -2084.6798 -2084.6798 14254.792 -14254.792
1910 1844.9642 -2212.7113 -2212.7113 9242.8274 -9242.8274
1918 1844.9642 -2213.2983 -2213.2983 9290.5862 -9290.5862
Loop time of 0.0837719 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.21426 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
1900 1844.9642 -2084.6798 -2084.6798 14254.792 -14254.792
1910 1794.5594 -2081.4552 -2081.4552 14231.918 -14231.918
@ -462,14 +462,14 @@ Step Temp PotEng pe Press press
1980 1738.6963 -2078.1365 -2078.1365 13727.302 -13727.302
1990 1824.1331 -2083.7259 -2083.7259 13351.028 -13351.028
2000 1875.6223 -2087.1004 -2087.1004 14128.318 -14128.318
Loop time of 0.40616 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.1509 Mbytes
Loop time of 0.898733 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.11275 Mbytes
Step Temp PotEng pe Press press
2000 1875.6223 -2087.1004 -2087.1004 14128.318 -14128.318
2010 1875.6223 -2212.6102 -2212.6102 9440.4667 -9440.4667
2017 1875.6223 -2213.2678 -2213.2678 9489.5509 -9489.5509
Loop time of 0.0750868 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.187666 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
2000 1875.6223 -2082.3657 -2082.3657 14371.936 -14371.936
2010 1863.3848 -2081.6305 -2081.6305 14137.879 -14137.879
@ -482,14 +482,14 @@ Step Temp PotEng pe Press press
2080 1779.6156 -2077.8631 -2077.8631 11640.232 -11640.232
2090 1750.945 -2076.2547 -2076.2547 12031.071 -12031.071
2100 1794.9223 -2079.3746 -2079.3746 12304.148 -12304.148
Loop time of 0.407366 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.1509 Mbytes
Loop time of 0.912407 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.11275 Mbytes
Step Temp PotEng pe Press press
2100 1794.9223 -2079.3746 -2079.3746 12304.148 -12304.148
2110 1794.9223 -2212.0814 -2212.0814 8851.1917 -8851.1917
2119 1794.9223 -2213.2608 -2213.2608 8945.4343 -8945.4343
Loop time of 0.0862229 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.210388 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
2100 1794.9223 -2079.3746 -2079.3746 12304.148 -12304.148
2110 1770.9307 -2081.7643 -2081.7643 11935.093 -11935.093
@ -502,8 +502,8 @@ Step Temp PotEng pe Press press
2180 1792.7301 -2088.1007 -2088.1007 12233.811 -12233.811
2190 1796.2436 -2088.1058 -2088.1058 11996.667 -11996.667
2200 1702.869 -2081.935 -2081.935 12612.421 -12612.421
Loop time of 0.410694 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.873291 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
2100 1702.869 -2081.935 -2081.935 12612.421 -12612.421
2110 1768.0645 -2086.389 -2086.389 12423.817 -12423.817
@ -516,14 +516,14 @@ Step Temp PotEng pe Press press
2180 1825.3151 -2090.2911 -2090.2911 12972.295 -12972.295
2190 1685.3026 -2081.0074 -2081.0074 12882.814 -12882.814
2200 1752.8571 -2085.318 -2085.318 12591.268 -12591.268
Loop time of 0.408501 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.1509 Mbytes
Loop time of 0.914818 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.11275 Mbytes
Step Temp PotEng pe Press press
2200 1752.8571 -2085.318 -2085.318 12591.268 -12591.268
2210 1752.8571 -2212.7341 -2212.7341 8605.4047 -8605.4047
2217 1752.8571 -2213.302 -2213.302 8652.488 -8652.488
Loop time of 0.078505 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.190623 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
2200 1752.8571 -2085.318 -2085.318 12591.268 -12591.268
2210 1779.2478 -2086.7885 -2086.7885 12113.609 -12113.609
@ -536,14 +536,14 @@ Step Temp PotEng pe Press press
2280 1861.798 -2086.9674 -2086.9674 12871.039 -12871.039
2290 1754.4149 -2078.7712 -2078.7712 12563.477 -12563.477
2300 1816.0391 -2081.6476 -2081.6476 12121.165 -12121.165
Loop time of 0.408262 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.1509 Mbytes
Loop time of 0.82612 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.11275 Mbytes
Step Temp PotEng pe Press press
2300 1816.0391 -2081.6476 -2081.6476 12121.165 -12121.165
2310 1816.0391 -2212.389 -2212.389 9012.0817 -9012.0817
2318 1816.0391 -2213.2966 -2213.2966 9084.2731 -9084.2731
Loop time of 0.078568 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.221244 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
2300 1816.0391 -2081.6476 -2081.6476 12121.165 -12121.165
2310 1807.5977 -2079.789 -2079.789 12627.061 -12627.061
@ -556,14 +556,14 @@ Step Temp PotEng pe Press press
2380 1863.8039 -2076.4309 -2076.4309 13352.386 -13352.386
2390 1871.309 -2076.5356 -2076.5356 12956.198 -12956.198
2400 1912.3544 -2078.9881 -2078.9881 14073.646 -14073.646
Loop time of 0.410205 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.1509 Mbytes
Loop time of 0.877702 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.11275 Mbytes
Step Temp PotEng pe Press press
2400 1912.3544 -2078.9881 -2078.9881 14073.646 -14073.646
2410 1912.3544 -2212.592 -2212.592 9710.6134 -9710.6134
2417 1912.3544 -2213.2563 -2213.2563 9743.6799 -9743.6799
Loop time of 0.077698 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.203993 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
2400 1912.3544 -2078.9881 -2078.9881 14073.646 -14073.646
2410 1881.5161 -2076.8517 -2076.8517 14118.498 -14118.498
@ -576,14 +576,14 @@ Step Temp PotEng pe Press press
2480 1868.0018 -2077.8519 -2077.8519 12589.972 -12589.972
2490 1835.6508 -2076.1969 -2076.1969 14826.183 -14826.183
2500 1864.706 -2078.63 -2078.63 14939.021 -14939.021
Loop time of 0.410081 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.1509 Mbytes
Loop time of 0.957713 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.11275 Mbytes
Step Temp PotEng pe Press press
2500 1864.706 -2078.63 -2078.63 14939.021 -14939.021
2510 1864.706 -2212.3043 -2212.3043 9331.2292 -9331.2292
2519 1864.706 -2213.2656 -2213.2656 9417.8882 -9417.8882
Loop time of 0.082952 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.197459 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
2500 1864.706 -2078.63 -2078.63 14939.021 -14939.021
2510 1918.2373 -2082.7789 -2082.7789 14794.84 -14794.84
@ -596,14 +596,14 @@ Step Temp PotEng pe Press press
2580 1727.9374 -2076.3015 -2076.3015 10241.806 -10241.806
2590 1745.4427 -2077.9951 -2077.9951 10742.094 -10742.094
2600 1789.6246 -2081.3465 -2081.3465 11914.23 -11914.23
Loop time of 0.405997 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.1509 Mbytes
Loop time of 0.918187 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.11275 Mbytes
Step Temp PotEng pe Press press
2600 1789.6246 -2081.3465 -2081.3465 11914.23 -11914.23
2610 1789.6246 -2212.3387 -2212.3387 8891.2482 -8891.2482
2620 1789.6246 -2213.2916 -2213.2916 8902.2218 -8902.2218
Loop time of 0.095551 on 1 procs for 20 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.238564 on 1 procs for 20 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
2600 1789.6246 -2081.3465 -2081.3465 11914.23 -11914.23
2610 1818.4769 -2083.641 -2083.641 12992.001 -12992.001
@ -616,14 +616,14 @@ Step Temp PotEng pe Press press
2680 1824.9339 -2086.7126 -2086.7126 13122.618 -13122.618
2690 1831.438 -2087.5581 -2087.5581 12403.512 -12403.512
2700 1720.2717 -2080.6258 -2080.6258 11791.205 -11791.205
Loop time of 0.40597 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.1509 Mbytes
Loop time of 0.889435 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.11275 Mbytes
Step Temp PotEng pe Press press
2700 1720.2717 -2080.6258 -2080.6258 11791.205 -11791.205
2710 1720.2717 -2212.4764 -2212.4764 8345.5642 -8345.5642
2716 1720.2717 -2213.2722 -2213.2722 8426.366 -8426.366
Loop time of 0.0711331 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.168875 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
2700 1720.2717 -2080.6258 -2080.6258 11791.205 -11791.205
2710 1727.8209 -2081.4289 -2081.4289 11603.864 -11603.864
@ -636,14 +636,14 @@ Step Temp PotEng pe Press press
2780 1850.6756 -2089.8584 -2089.8584 12948.812 -12948.812
2790 1803.0945 -2086.7559 -2086.7559 12775.73 -12775.73
2800 1747.6056 -2083.1392 -2083.1392 11938.734 -11938.734
Loop time of 0.408066 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.1509 Mbytes
Loop time of 0.924933 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.11275 Mbytes
Step Temp PotEng pe Press press
2800 1747.6056 -2083.1392 -2083.1392 11938.734 -11938.734
2810 1747.6056 -2212.4038 -2212.4038 8589.3408 -8589.3408
2817 1747.6056 -2213.2905 -2213.2905 8614.6513 -8614.6513
Loop time of 0.0746069 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.187319 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
2800 1747.6056 -2083.1392 -2083.1392 11938.734 -11938.734
2810 1710.13 -2080.6404 -2080.6404 11837.207 -11837.207
@ -656,15 +656,15 @@ Step Temp PotEng pe Press press
2880 1815.2816 -2085.3162 -2085.3162 12031.647 -12031.647
2890 1783.9216 -2082.7148 -2082.7148 11901.648 -11901.648
2900 1775.7404 -2081.557 -2081.557 12506.735 -12506.735
Loop time of 0.408499 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.1509 Mbytes
Loop time of 0.962272 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.11275 Mbytes
Step Temp PotEng pe Press press
2900 1775.7404 -2081.557 -2081.557 12506.735 -12506.735
2910 1775.7404 -2212.2609 -2212.2609 8781.2915 -8781.2915
2920 1775.7404 -2213.288 -2213.288 8807.158 -8807.158
2921 1775.7404 -2213.3042 -2213.3042 8810.716 -8810.716
Loop time of 0.101602 on 1 procs for 21 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
Loop time of 0.222462 on 1 procs for 21 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
2900 1775.7404 -2077.8568 -2077.8568 12099.406 -12099.406
2910 1845.257 -2081.7203 -2081.7203 12700.691 -12700.691
@ -677,22 +677,22 @@ Step Temp PotEng pe Press press
2980 1763.7121 -2070.8935 -2070.8935 11039.008 -11039.008
2990 1882.5403 -2077.8414 -2077.8414 10988.686 -10988.686
3000 1858.1184 -2075.3162 -2075.3162 11614.342 -11614.342
Loop time of 0.409631 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.1509 Mbytes
Loop time of 0.936777 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 4.11275 Mbytes
Step Temp PotEng pe Press press
3000 1858.1184 -2075.3162 -2075.3162 11614.342 -11614.342
3019 1858.1184 -2213.2876 -2213.2876 9373.3499 -9373.3499
Loop time of 0.0865049 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.46425 Mbytes
3019 1858.1184 -2213.2876 -2213.2876 9373.3498 -9373.3498
Loop time of 0.204475 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.42611 Mbytes
Step Temp PotEng pe Press press
3000 1858.1184 -2075.3162 -2075.3162 11614.342 -11614.342
Loop time of 11.7691 on 1 procs for 19 steps with 511 atoms
Loop time of 27.051 on 1 procs for 19 steps with 511 atoms
PRD stats:
Dephase time (%) = 1.61545 (13.7262)
Dynamics time (%) = 8.12171 (69.0085)
Quench time (%) = 1.57326 (13.3677)
Other time (%) = 0.252955 (2.14931)
Dephase time (%) = 3.4805 (12.8664)
Dynamics time (%) = 18.3222 (67.7321)
Quench time (%) = 3.94232 (14.5736)
Other time (%) = 0.531627 (1.96527)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0

224
examples/prd/log.prd.1.15Jan10.linux.4
View File

@ -73,7 +73,7 @@ neigh_modify every 1 delay 10 check yes
# equilibrate
run 1000
Memory usage per processor = 1.70934 Mbytes
Memory usage per processor = 1.67119 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1802.5039 -2211.666 0 -2092.8401 12351.692
10 996.01982 -2158.3093 0 -2092.649 14285.475
@ -176,13 +176,13 @@ Step Temp E_pair E_mol TotEng Press
980 1204.7062 -2127.2045 0 -2047.7871 9147.2135
990 1237.2369 -2128.9751 0 -2047.4131 9133.9513
1000 1328.5448 -2134.6343 0 -2047.053 8722.3314
Loop time of 3.67205 on 1 procs for 1000 steps with 511 atoms
Loop time of 8.4091 on 1 procs for 1000 steps with 511 atoms
Pair time (%) = 3.59202 (97.8206)
Neigh time (%) = 0.0336022 (0.915081)
Comm time (%) = 0.0136487 (0.371693)
Outpt time (%) = 0.00127292 (0.034665)
Other time (%) = 0.0315037 (0.857932)
Pair time (%) = 8.24568 (98.0567)
Neigh time (%) = 0.0704989 (0.838365)
Comm time (%) = 0.0273075 (0.324738)
Outpt time (%) = 0.00134039 (0.0159397)
Other time (%) = 0.0642691 (0.76428)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
@ -221,13 +221,13 @@ prd 2000 100 10 10 100 1 54985 temp 1800 min 1e-05 ${ftol} ${maxiter} ${ma
prd 2000 100 10 10 100 1 54985 temp 1800 min 1e-05 1e-05 ${maxiter} ${maxeval} vel all uniform
prd 2000 100 10 10 100 1 54985 temp 1800 min 1e-05 1e-05 100 ${maxeval} vel all uniform
prd 2000 100 10 10 100 1 54985 temp 1800 min 1e-05 1e-05 100 100 vel all uniform
Memory usage per processor = 3.42595 Mbytes
Memory usage per processor = 3.38781 Mbytes
Step Temp PotEng pe Press press
1000 1328.5448 -2134.6343 -2134.6343 8722.3314 -8722.3314
1010 1328.5448 -2212.9298 -2212.9298 5706.5497 -5706.5497
1016 1328.5448 -2213.2943 -2213.2943 5740.2816 -5740.2816
Loop time of 0.0636451 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.129102 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1000 1328.5448 -2134.6343 -2134.6343 8722.3314 -8722.3314
1010 1462.156 -2112.018 -2112.018 12059.159 -12059.159
@ -240,8 +240,8 @@ Step Temp PotEng pe Press press
1080 1805.3462 -2096.1059 -2096.1059 15711.76 -15711.76
1090 1810.02 -2096.7672 -2096.7672 14823.363 -14823.363
1100 1779.0146 -2095.3911 -2095.3911 14508.043 -14508.043
Loop time of 0.392087 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.853814 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1000 1779.0146 -2095.3911 -2095.3911 14508.043 -14508.043
1010 1710.8709 -2090.8658 -2090.8658 14235.104 -14235.104
@ -254,14 +254,14 @@ Step Temp PotEng pe Press press
1080 1687.0077 -2088.5544 -2088.5544 12044.068 -12044.068
1090 1705.5334 -2089.6547 -2089.6547 12002.045 -12002.045
1100 1717.9863 -2090.375 -2090.375 11576.416 -11576.416
Loop time of 0.405504 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.867405 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1100 1717.9863 -2090.375 -2090.375 11576.416 -11576.416
1110 1717.9863 -2212.195 -2212.195 8304.9451 -8304.9451
1117 1717.9863 -2213.2622 -2213.2622 8409.3719 -8409.3719
Loop time of 0.0676711 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.152583 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1100 1717.9863 -2088.7287 -2088.7287 13512.098 -13512.098
1110 1764.8885 -2091.7441 -2091.7441 13067.322 -13067.322
@ -274,14 +274,14 @@ Step Temp PotEng pe Press press
1180 1749.8048 -2090.1387 -2090.1387 13339.506 -13339.506
1190 1669.8108 -2084.7806 -2084.7806 14259.456 -14259.456
1200 1801.5959 -2093.3859 -2093.3859 14012.408 -14012.408
Loop time of 0.407036 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.957149 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1200 1801.5959 -2093.3859 -2093.3859 14012.408 -14012.408
1210 1801.5959 -2212.7662 -2212.7662 8945.4082 -8945.4082
1217 1801.5959 -2213.3072 -2213.3072 8992.0023 -8992.0023
Loop time of 0.0756571 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.145057 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1200 1801.5959 -2093.1442 -2093.1442 13989.369 -13989.369
1210 1949.5918 -2102.9271 -2102.9271 13441.763 -13441.763
@ -294,14 +294,14 @@ Step Temp PotEng pe Press press
1280 1660.7503 -2083.2021 -2083.2021 12793.637 -12793.637
1290 1649.6309 -2082.3267 -2082.3267 15227.205 -15227.205
1300 2054.767 -2108.9659 -2108.9659 14846.01 -14846.01
Loop time of 0.402145 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.957657 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1300 2054.767 -2108.9659 -2108.9659 14846.01 -14846.01
1310 2054.767 -2212.7212 -2212.7212 10716.382 -10716.382
1317 2054.767 -2213.2802 -2213.2802 10730.161 -10730.161
Loop time of 0.0674291 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.151019 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1300 2054.767 -2108.9659 -2108.9659 14846.01 -14846.01
1310 1814.6999 -2090.7412 -2090.7412 14067.302 -14067.302
@ -314,8 +314,8 @@ Step Temp PotEng pe Press press
1380 1857.8818 -2088.4505 -2088.4505 14001.005 -14001.005
1390 1797.5511 -2088.303 -2088.303 13461.451 -13461.451
1400 1740.7259 -2084.3749 -2084.3749 13165.433 -13165.433
Loop time of 0.405429 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.950908 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1300 1740.7259 -2084.3749 -2084.3749 13165.433 -13165.433
1310 1818.1267 -2089.4512 -2089.4512 11962.593 -11962.593
@ -328,14 +328,14 @@ Step Temp PotEng pe Press press
1380 1839.3472 -2090.4758 -2090.4758 11770.167 -11770.167
1390 1687.1014 -2080.392 -2080.392 13537.57 -13537.57
1400 1706.4294 -2081.5745 -2081.5745 14680.766 -14680.766
Loop time of 0.406603 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 1.02641 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1400 1706.4294 -2081.5745 -2081.5745 14680.766 -14680.766
1410 1706.4294 -2212.4383 -2212.4383 8287.3975 -8287.3975
1419 1706.4294 -2213.299 -2213.299 8335.7496 -8335.7496
Loop time of 0.0779181 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.16997 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1400 1706.4294 -2081.5745 -2081.5745 14680.766 -14680.766
1410 1852.1739 -2091.094 -2091.094 14142.798 -14142.798
@ -348,14 +348,14 @@ Step Temp PotEng pe Press press
1480 1808.0351 -2087.7671 -2087.7671 13092.534 -13092.534
1490 1756.4969 -2084.3497 -2084.3497 13580.273 -13580.273
1500 1891.2823 -2093.2259 -2093.2259 12933.479 -12933.479
Loop time of 0.40587 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.94344 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1500 1891.2823 -2093.2259 -2093.2259 12933.479 -12933.479
1510 1891.2823 -2212.6226 -2212.6226 9570.8903 -9570.8903
1517 1891.2823 -2213.2456 -2213.2456 9596.1238 -9596.1238
Loop time of 0.075917 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.185495 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1500 1891.2823 -2093.2259 -2093.2259 12933.479 -12933.479
1510 1835.2631 -2089.5942 -2089.5942 13415.389 -13415.389
@ -368,14 +368,14 @@ Step Temp PotEng pe Press press
1580 1802.2994 -2086.8465 -2086.8465 13017.499 -13017.499
1590 1726.1866 -2081.7764 -2081.7764 13989.517 -13989.517
1600 1741.2757 -2082.6913 -2082.6913 13518.735 -13518.735
Loop time of 0.406173 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.928593 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1600 1741.2757 -2082.6913 -2082.6913 13518.735 -13518.735
1610 1741.2757 -2212.4447 -2212.4447 8592.7877 -8592.7877
1617 1741.2757 -2213.2663 -2213.2663 8574.6337 -8574.6337
Loop time of 0.068603 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.185122 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1600 1741.2757 -2082.6913 -2082.6913 13518.735 -13518.735
1610 1841.6256 -2085.3721 -2085.3721 13529.294 -13529.294
@ -388,8 +388,8 @@ Step Temp PotEng pe Press press
1680 1813.2704 -2087.8475 -2087.8475 13007.46 -13007.46
1690 1797.2015 -2087.6816 -2087.6816 12576.836 -12576.836
1700 1787.5585 -2086.8599 -2086.8599 13170.947 -13170.947
Loop time of 0.403308 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.925543 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1600 1787.5585 -2086.8599 -2086.8599 13170.947 -13170.947
1610 1829.9392 -2089.6614 -2089.6614 12873.976 -12873.976
@ -402,14 +402,14 @@ Step Temp PotEng pe Press press
1680 1800.3552 -2087.4938 -2087.4938 11166.83 -11166.83
1690 1769.7408 -2085.3809 -2085.3809 11041.291 -11041.291
1700 1717.2259 -2081.821 -2081.821 10664.57 -10664.57
Loop time of 0.404212 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.91535 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1700 1717.2259 -2081.821 -2081.821 10664.57 -10664.57
1710 1717.2259 -2212.2678 -2212.2678 8342.3238 -8342.3238
1720 1717.2259 -2213.297 -2213.297 8406.2448 -8406.2448
Loop time of 0.095757 on 1 procs for 20 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.212145 on 1 procs for 20 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1700 1717.2259 -2081.821 -2081.821 10664.57 -10664.57
1710 1743.8133 -2083.4464 -2083.4464 9706.2316 -9706.2316
@ -422,14 +422,14 @@ Step Temp PotEng pe Press press
1780 1902.6733 -2092.8262 -2092.8262 12741.85 -12741.85
1790 1777.7573 -2084.6752 -2084.6752 12733.876 -12733.876
1800 1759.7759 -2083.5632 -2083.5632 11518.244 -11518.244
Loop time of 0.407932 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.938223 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1800 1759.7759 -2083.5632 -2083.5632 11518.244 -11518.244
1810 1759.7759 -2212.4609 -2212.4609 8636.5017 -8636.5017
1817 1759.7759 -2213.2622 -2213.2622 8693.2967 -8693.2967
Loop time of 0.0741181 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.192975 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1800 1759.7759 -2083.5632 -2083.5632 11518.244 -11518.244
1810 1713.6763 -2080.505 -2080.505 11629.843 -11629.843
@ -442,14 +442,14 @@ Step Temp PotEng pe Press press
1880 1839.2144 -2087.7006 -2087.7006 13003.035 -13003.035
1890 1790.8045 -2084.4499 -2084.4499 12919.257 -12919.257
1900 1791.5871 -2084.4645 -2084.4645 13234.953 -13234.953
Loop time of 0.405254 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.958002 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1900 1791.5871 -2084.4645 -2084.4645 13234.953 -13234.953
1910 1791.5871 -2212.7757 -2212.7757 8910.5099 -8910.5099
1919 1791.5871 -2213.3111 -2213.3111 8926.8306 -8926.8306
Loop time of 0.0869751 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.228467 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1900 1791.5871 -2084.4645 -2084.4645 13234.953 -13234.953
1910 1789.1364 -2084.2487 -2084.2487 12621.903 -12621.903
@ -462,14 +462,14 @@ Step Temp PotEng pe Press press
1980 1889.6247 -2090.1558 -2090.1558 11991.154 -11991.154
1990 1753.3865 -2081.1232 -2081.1232 13054.536 -13054.536
2000 1773.077 -2082.3657 -2082.3657 13667.648 -13667.648
Loop time of 0.406736 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.896545 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2000 1773.077 -2082.3657 -2082.3657 13667.648 -13667.648
2010 1773.077 -2211.7475 -2211.7475 8815.2705 -8815.2705
2020 1773.077 -2213.2329 -2213.2329 8785.1707 -8785.1707
Loop time of 0.0823021 on 1 procs for 20 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.196959 on 1 procs for 20 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2000 1773.077 -2082.3657 -2082.3657 13667.648 -13667.648
2010 1849.367 -2087.3195 -2087.3195 13879.051 -13879.051
@ -482,14 +482,14 @@ Step Temp PotEng pe Press press
2080 1721.3075 -2078.434 -2078.434 11124.173 -11124.173
2090 1773.981 -2081.6311 -2081.6311 10952.487 -10952.487
2100 1812.1601 -2083.8286 -2083.8286 12531.871 -12531.871
Loop time of 0.407541 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.878576 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2100 1812.1601 -2083.8286 -2083.8286 12531.871 -12531.871
2110 1812.1601 -2212.0441 -2212.0441 8971.5229 -8971.5229
2118 1812.1601 -2213.2943 -2213.2943 9060.6668 -9060.6668
Loop time of 0.0778899 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.184119 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2100 1812.1601 -2083.8286 -2083.8286 12531.871 -12531.871
2110 1761.5502 -2080.9808 -2080.9808 11972.792 -11972.792
@ -502,8 +502,8 @@ Step Temp PotEng pe Press press
2180 1768.7519 -2077.3459 -2077.3459 11040.22 -11040.22
2190 1873.0524 -2081.872 -2081.872 11599.45 -11599.45
2200 1707.1083 -2075.4599 -2075.4599 11548.603 -11548.603
Loop time of 0.409941 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.901049 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2100 1707.1083 -2075.4599 -2075.4599 11548.603 -11548.603
2110 1751.4909 -2078.0146 -2078.0146 11251.028 -11251.028
@ -516,14 +516,14 @@ Step Temp PotEng pe Press press
2180 1910.2111 -2085.7054 -2085.7054 13692.626 -13692.626
2190 1881.6302 -2083.8128 -2083.8128 13221.004 -13221.004
2200 1759.8017 -2075.8565 -2075.8565 12193.27 -12193.27
Loop time of 0.410463 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.927016 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2200 1759.8017 -2075.8565 -2075.8565 12193.27 -12193.27
2210 1759.8017 -2212.3654 -2212.3654 8627.9991 -8627.9991
2219 1759.8017 -2213.2962 -2213.2962 8702.413 -8702.413
Loop time of 0.086957 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.174923 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2200 1759.8017 -2075.8565 -2075.8565 12193.27 -12193.27
2210 1750.5152 -2075.3113 -2075.3113 11067.143 -11067.143
@ -536,34 +536,34 @@ Step Temp PotEng pe Press press
2280 1909.0098 -2085.2908 -2085.2908 14942.238 -14942.238
2290 1886.2232 -2083.8927 -2083.8927 15764.832 -15764.832
2300 1879.5383 -2083.7125 -2083.7125 15407.011 -15407.011
Loop time of 0.406723 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.982322 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2300 1879.5383 -2083.7125 -2083.7125 15407.011 -15407.011
2310 1879.5383 -2212.2399 -2212.2399 9429.8438 -9429.8438
2318 1879.5383 -2213.2956 -2213.2956 9520.2708 -9520.2708
Loop time of 0.0800588 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.127936 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2300 1879.5383 -2083.7125 -2083.7125 15407.011 -15407.011
2310 1908.5883 -2086.082 -2086.082 13756.181 -13756.181
2320 1856.5067 -2083.3604 -2083.3604 12633.734 -12633.734
2330 1711.3379 -2074.6568 -2074.6568 11960.607 -11960.607
2340 1720.4767 -2076.1957 -2076.1957 11199.426 -11199.426
2350 1735.1585 -2078.1782 -2078.1782 11289.969 -11289.969
2350 1735.1585 -2078.1782 -2078.1782 11289.97 -11289.97
2360 1694.6178 -2076.5572 -2076.5572 11967.167 -11967.167
2370 1777.368 -2083.123 -2083.123 12247.815 -12247.815
2380 1832.5937 -2088.0086 -2088.0086 13598.035 -13598.035
2390 1816.4718 -2088.3217 -2088.3217 15035.235 -15035.235
2400 1864.1143 -2092.9351 -2092.9351 15169.086 -15169.086
Loop time of 0.407942 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.923529 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2400 1864.1143 -2092.9351 -2092.9351 15169.086 -15169.086
2410 1864.1143 -2212.63 -2212.63 9366.19 -9366.19
2418 1864.1143 -2213.2895 -2213.2895 9417.9125 -9417.9125
Loop time of 0.081383 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.184553 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2400 1864.1143 -2092.9351 -2092.9351 15169.086 -15169.086
2410 1861.9385 -2094.3538 -2094.3538 13990.334 -13990.334
@ -571,19 +571,19 @@ Step Temp PotEng pe Press press
2430 1720.6407 -2087.749 -2087.749 12674.016 -12674.016
2440 1711.0587 -2088.0818 -2088.0818 11591.218 -11591.218
2450 1686.976 -2087.2031 -2087.2031 11350.988 -11350.988
2460 1647.1616 -2085.0252 -2085.0252 11701.247 -11701.247
2460 1647.1616 -2085.0252 -2085.0252 11701.246 -11701.246
2470 1705.0788 -2089.0794 -2089.0794 11341.286 -11341.286
2480 1709.6101 -2089.4523 -2089.4523 11697.605 -11697.605
2490 1712.5229 -2089.6106 -2089.6106 12049.07 -12049.07
2500 1732.3761 -2090.7863 -2090.7863 12242.48 -12242.48
Loop time of 0.403431 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.934535 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2500 1732.3761 -2090.7863 -2090.7863 12242.48 -12242.48
2510 1732.3761 -2212.6008 -2212.6008 8449.5887 -8449.5887
2516 1732.3761 -2213.2774 -2213.2774 8508.6435 -8508.6435
Loop time of 0.068723 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.177878 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2500 1732.3761 -2090.7863 -2090.7863 12242.48 -12242.48
2510 1743.776 -2091.3377 -2091.3377 12000.712 -12000.712
@ -596,14 +596,14 @@ Step Temp PotEng pe Press press
2580 1751.6628 -2089.0584 -2089.0584 14169.863 -14169.863
2590 1756.13 -2088.9184 -2088.9184 12579.225 -12579.225
2600 1737.0343 -2087.195 -2087.195 11031.342 -11031.342
Loop time of 0.40421 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.920648 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2600 1737.0343 -2087.195 -2087.195 11031.342 -11031.342
2610 1737.0343 -2212.5061 -2212.5061 8489.5196 -8489.5196
2617 1737.0343 -2213.2888 -2213.2888 8541.0945 -8541.0945
Loop time of 0.0746071 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
2617 1737.0343 -2213.2888 -2213.2888 8541.0944 -8541.0944
Loop time of 0.176554 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2600 1737.0343 -2087.195 -2087.195 11031.342 -11031.342
2610 1655.1804 -2081.2936 -2081.2936 10585.787 -10585.787
@ -616,14 +616,14 @@ Step Temp PotEng pe Press press
2680 1894.4515 -2092.0162 -2092.0162 13463.572 -13463.572
2690 1783.2132 -2084.2716 -2084.2716 13730.976 -13730.976
2700 1749.0096 -2081.6652 -2081.6652 12954.211 -12954.211
Loop time of 0.402277 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.886094 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2700 1749.0096 -2081.6652 -2081.6652 12954.211 -12954.211
2710 1749.0096 -2212.2362 -2212.2362 8533.5925 -8533.5925
2718 1749.0096 -2213.2878 -2213.2878 8627.5327 -8627.5327
Loop time of 0.075737 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.216265 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2700 1749.0096 -2081.6652 -2081.6652 12954.211 -12954.211
2710 1845.9017 -2087.6965 -2087.6965 12168.138 -12168.138
@ -636,34 +636,34 @@ Step Temp PotEng pe Press press
2780 1801.8691 -2082.3227 -2082.3227 13661.182 -13661.182
2790 1776.3536 -2080.2343 -2080.2343 13830.603 -13830.603
2800 1838.2377 -2083.9032 -2083.9032 14464.252 -14464.252
Loop time of 0.407123 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.895964 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2800 1838.2377 -2083.9032 -2083.9032 14464.252 -14464.252
2810 1838.2377 -2212.3592 -2212.3592 9203.6485 -9203.6485
2810 1838.2377 -2212.3592 -2212.3592 9203.6486 -9203.6486
2818 1838.2377 -2213.3056 -2213.3056 9237.67 -9237.67
Loop time of 0.081588 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.213412 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2800 1838.2377 -2083.9032 -2083.9032 14464.252 -14464.252
2810 1941.553 -2090.3782 -2090.3782 14838.658 -14838.658
2820 1823.3802 -2082.3795 -2082.3795 15462.201 -15462.201
2810 1941.553 -2090.3782 -2090.3782 14838.659 -14838.659
2820 1823.3802 -2082.3795 -2082.3795 15462.202 -15462.202
2830 1861.401 -2084.7776 -2084.7776 14630.948 -14630.948
2840 1891.1093 -2086.7032 -2086.7032 13966.486 -13966.486
2850 1796.1949 -2080.4996 -2080.4996 13956.535 -13956.535
2850 1796.1949 -2080.4996 -2080.4996 13956.534 -13956.534
2860 1802.7253 -2081.0102 -2081.0102 13172.075 -13172.075
2870 1803.0856 -2081.1187 -2081.1187 12239.495 -12239.495
2880 1727.1638 -2076.1779 -2076.1779 11681.237 -11681.237
2890 1722.3988 -2075.8565 -2075.8565 12328.141 -12328.141
2900 1806.1978 -2081.2824 -2081.2824 13065.429 -13065.429
Loop time of 0.407595 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.900966 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2900 1806.1978 -2081.2824 -2081.2824 13065.429 -13065.429
2910 1806.1978 -2212.4871 -2212.4871 8959.1091 -8959.1091
2916 1806.1978 -2213.2629 -2213.2629 9015.4574 -9015.4574
Loop time of 0.0679688 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.1577 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2900 1806.1978 -2077.8568 -2077.8568 12308.589 -12308.589
2910 1791.7385 -2076.7736 -2076.7736 12469.129 -12469.129
@ -673,25 +673,25 @@ Step Temp PotEng pe Press press
2950 1899.993 -2083.4712 -2083.4712 13308.121 -13308.121
2960 1822.2047 -2078.4744 -2078.4744 12739.162 -12739.162
2970 1850.3912 -2080.543 -2080.543 12022.412 -12022.412
2980 1895.7825 -2083.8558 -2083.8558 11350.311 -11350.311
2980 1895.7825 -2083.8558 -2083.8558 11350.312 -11350.312
2990 1829.1839 -2079.9422 -2079.9422 11821.304 -11821.304
3000 1766.2276 -2076.3558 -2076.3558 11566.558 -11566.558
Loop time of 0.408161 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.824223 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
3000 1766.2276 -2076.3558 -2076.3558 11566.558 -11566.558
3019 1766.2276 -2213.2905 -2213.2905 8744.4063 -8744.4063
Loop time of 0.082562 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
3019 1766.2276 -2213.2905 -2213.2905 8744.4062 -8744.4062
Loop time of 0.174294 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
3000 1766.2276 -2076.3558 -2076.3558 11566.558 -11566.558
Loop time of 11.769 on 1 procs for 19 steps with 511 atoms
Loop time of 26.987 on 1 procs for 19 steps with 511 atoms
PRD stats:
Dephase time (%) = 1.61076 (13.6865)
Dynamics time (%) = 8.12293 (69.0196)
Quench time (%) = 1.54982 (13.1687)
Other time (%) = 0.254783 (2.16486)
Dephase time (%) = 3.63131 (13.4558)
Dynamics time (%) = 18.4626 (68.413)
Quench time (%) = 3.60743 (13.3673)
Other time (%) = 0.575268 (2.13165)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0

16
examples/prd/log.prd.15Jan10.linux.4
View File

@ -1,10 +1,10 @@
LAMMPS (15 Jan 2010)
Running on 4 partitions of processors
Step Clock Event Correlated Replica
1000 0 0 0 0
1100 400 1 0 0
1200 500 2 1 0
1500 1400 3 0 1
2000 3100 4 0 1
2900 6400 5 0 3
Loop time of 11.7691 on 4 procs for 2000 steps with 511 atoms
Step CPU Clock Event Correlated Coincident Replica
1000 0.000 0 0 0 0 0
1100 2.006 400 1 0 1 0
1200 3.150 500 2 1 1 0
1500 7.677 1400 3 0 1 1
2000 14.511 3100 4 0 1 1
2900 25.874 6400 5 0 1 3
Loop time of 27.051 on 4 procs for 2000 steps with 511 atoms

236
examples/prd/log.prd.2.15Jan10.linux.4
View File

@ -73,7 +73,7 @@ neigh_modify every 1 delay 10 check yes
# equilibrate
run 1000
Memory usage per processor = 1.70934 Mbytes
Memory usage per processor = 1.67119 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1802.5039 -2211.666 0 -2092.8401 12351.692
10 996.01982 -2158.3093 0 -2092.649 14285.475
@ -176,13 +176,13 @@ Step Temp E_pair E_mol TotEng Press
980 1204.7062 -2127.2045 0 -2047.7871 9147.2135
990 1237.2369 -2128.9751 0 -2047.4131 9133.9513
1000 1328.5448 -2134.6343 0 -2047.053 8722.3314
Loop time of 3.67232 on 1 procs for 1000 steps with 511 atoms
Loop time of 8.41674 on 1 procs for 1000 steps with 511 atoms
Pair time (%) = 3.59213 (97.8164)
Neigh time (%) = 0.0336094 (0.915208)
Comm time (%) = 0.0137672 (0.374892)
Outpt time (%) = 0.00129437 (0.0352467)
Other time (%) = 0.0315192 (0.85829)
Pair time (%) = 8.18279 (97.2205)
Neigh time (%) = 0.0729246 (0.866424)
Comm time (%) = 0.0278513 (0.330904)
Outpt time (%) = 0.00137186 (0.0162992)
Other time (%) = 0.131798 (1.56591)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
@ -221,13 +221,13 @@ prd 2000 100 10 10 100 1 54985 temp 1800 min 1e-05 ${ftol} ${maxiter} ${ma
prd 2000 100 10 10 100 1 54985 temp 1800 min 1e-05 1e-05 ${maxiter} ${maxeval} vel all uniform
prd 2000 100 10 10 100 1 54985 temp 1800 min 1e-05 1e-05 100 ${maxeval} vel all uniform
prd 2000 100 10 10 100 1 54985 temp 1800 min 1e-05 1e-05 100 100 vel all uniform
Memory usage per processor = 3.42595 Mbytes
Memory usage per processor = 3.38781 Mbytes
Step Temp PotEng pe Press press
1000 1328.5448 -2134.6343 -2134.6343 8722.3314 -8722.3314
1010 1328.5448 -2212.9298 -2212.9298 5706.5497 -5706.5497
1016 1328.5448 -2213.2943 -2213.2943 5740.2816 -5740.2816
Loop time of 0.0638402 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.149623 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1000 1328.5448 -2134.6343 -2134.6343 8722.3314 -8722.3314
1010 1551.2855 -2117.9099 -2117.9099 12546.672 -12546.672
@ -240,8 +240,8 @@ Step Temp PotEng pe Press press
1080 1781.4124 -2096.4767 -2096.4767 15516.127 -15516.127
1090 1786.8296 -2095.597 -2095.597 14705.583 -14705.583
1100 1706.3259 -2089.3909 -2089.3909 14474.69 -14474.69
Loop time of 0.390413 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.836548 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1000 1706.3259 -2089.3909 -2089.3909 14474.69 -14474.69
1010 1718.1047 -2090.1016 -2090.1016 13410.786 -13410.786
@ -254,14 +254,14 @@ Step Temp PotEng pe Press press
1080 1694.828 -2087.9862 -2087.9862 13133.99 -13133.99
1090 1775.4253 -2093.212 -2093.212 12814.675 -12814.675
1100 1671.8616 -2086.3029 -2086.3029 13610.698 -13610.698
Loop time of 0.404248 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.861719 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1100 1671.8616 -2086.3029 -2086.3029 13610.698 -13610.698
1110 1671.8616 -2212.6382 -2212.6382 8032.5831 -8032.5831
1116 1671.8616 -2213.2762 -2213.2762 8092.734 -8092.734
Loop time of 0.0688829 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.162837 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1100 1671.8616 -2088.7287 -2088.7287 13195.311 -13195.311
1110 1714.6411 -2091.464 -2091.464 12527.512 -12527.512
@ -274,14 +274,14 @@ Step Temp PotEng pe Press press
1180 1759.7712 -2093.611 -2093.611 14127.767 -14127.767
1190 1709.3447 -2090.1929 -2090.1929 14806.283 -14806.283
1200 1812.1996 -2096.9141 -2096.9141 14257.721 -14257.721
Loop time of 0.398311 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.916754 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1200 1812.1996 -2096.9141 -2096.9141 14257.721 -14257.721
1210 1812.1996 -2212.76 -2212.76 9029.5726 -9029.5726
1217 1812.1996 -2213.3112 -2213.3112 9059.5958 -9059.5958
Loop time of 0.0735481 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.162911 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1200 1812.1996 -2093.1442 -2093.1442 14062.195 -14062.195
1210 1949.2068 -2102.223 -2102.223 13354.135 -13354.135
@ -294,14 +294,14 @@ Step Temp PotEng pe Press press
1280 1700.6244 -2085.0169 -2085.0169 14019.144 -14019.144
1290 1703.9066 -2085.1262 -2085.1262 16626.683 -16626.683
1300 2115.7452 -2112.2579 -2112.2579 16855.05 -16855.05
Loop time of 0.403168 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.899024 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1300 2115.7452 -2112.2579 -2112.2579 16855.05 -16855.05
1310 2115.7452 -2212.785 -2212.785 11109.54 -11109.54
1317 2115.7452 -2213.3156 -2213.3156 11145.69 -11145.69
Loop time of 0.0787702 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.21036 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1300 2115.7452 -2112.2579 -2112.2579 16855.05 -16855.05
1310 1838.8787 -2092.4652 -2092.4652 14684.936 -14684.936
@ -314,8 +314,8 @@ Step Temp PotEng pe Press press
1380 1796.4924 -2089.0685 -2089.0685 13350.16 -13350.16
1390 1819.7284 -2090.3619 -2090.3619 13694.599 -13694.599
1400 1810.0905 -2091.0357 -2091.0357 12532.715 -12532.715
Loop time of 0.406377 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.964258 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1300 1810.0905 -2091.0357 -2091.0357 12532.715 -12532.715
1310 1779.1932 -2089.0059 -2089.0059 11332.896 -11332.896
@ -328,14 +328,14 @@ Step Temp PotEng pe Press press
1380 1746.5882 -2086.0546 -2086.0546 11192.62 -11192.62
1390 1798.2542 -2089.3634 -2089.3634 12189.133 -12189.133
1400 1780.889 -2088.1639 -2088.1639 13038.302 -13038.302
Loop time of 0.405295 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 1.00445 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1400 1780.889 -2088.1639 -2088.1639 13038.302 -13038.302
1410 1780.889 -2212.2935 -2212.2935 8752.9576 -8752.9576
1417 1780.889 -2213.2682 -2213.2682 8844.1547 -8844.1547
Loop time of 0.0720029 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.186006 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1400 1780.889 -2088.1639 -2088.1639 13038.302 -13038.302
1410 1763.8717 -2086.9948 -2086.9948 13065.537 -13065.537
@ -348,14 +348,14 @@ Step Temp PotEng pe Press press
1480 1710.2403 -2082.9692 -2082.9692 12215.477 -12215.477
1490 1811.728 -2089.5327 -2089.5327 11865.161 -11865.161
1500 1790.8776 -2088.0855 -2088.0855 12032.121 -12032.121
Loop time of 0.406326 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.94345 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1500 1790.8776 -2088.0855 -2088.0855 12032.121 -12032.121
1510 1790.8776 -2212.5037 -2212.5037 8853.3168 -8853.3168
1519 1790.8776 -2213.3033 -2213.3033 8911.117 -8911.117
Loop time of 0.087507 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.18633 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1500 1790.8776 -2093.2259 -2093.2259 12243.893 -12243.893
1510 1696.1353 -2086.9252 -2086.9252 11733.266 -11733.266
@ -368,14 +368,14 @@ Step Temp PotEng pe Press press
1580 1658.8984 -2083.2783 -2083.2783 10707.107 -10707.107
1590 1696.2313 -2085.523 -2085.523 11934.184 -11934.184
1600 1759.0568 -2089.4513 -2089.4513 12186.75 -12186.75
Loop time of 0.402526 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.945615 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1600 1759.0568 -2089.4513 -2089.4513 12186.75 -12186.75
1610 1759.0568 -2212.1107 -2212.1107 8645.8852 -8645.8852
1620 1759.0568 -2213.2686 -2213.2686 8690.0731 -8690.0731
Loop time of 0.089201 on 1 procs for 20 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.209491 on 1 procs for 20 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1600 1759.0568 -2089.4513 -2089.4513 12186.75 -12186.75
1610 1832.6949 -2084.4961 -2084.4961 15037.527 -15037.527
@ -388,8 +388,8 @@ Step Temp PotEng pe Press press
1680 1762.892 -2085.5617 -2085.5617 13314.825 -13314.825
1690 1751.8969 -2082.3664 -2082.3664 14373.972 -14373.972
1700 1793.9945 -2081.9412 -2081.9412 13890.812 -13890.812
Loop time of 0.410779 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.935524 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1600 1793.9945 -2081.9412 -2081.9412 13890.812 -13890.812
1610 1816.5531 -2083.4118 -2083.4118 13070.692 -13070.692
@ -402,14 +402,14 @@ Step Temp PotEng pe Press press
1680 1747.3118 -2078.8008 -2078.8008 12743.745 -12743.745
1690 1799.42 -2082.2212 -2082.2212 12733.565 -12733.565
1700 1829.0663 -2084.1605 -2084.1605 13624.945 -13624.945
Loop time of 0.408456 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.912341 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1700 1829.0663 -2084.1605 -2084.1605 13624.945 -13624.945
1710 1829.0663 -2212.6518 -2212.6518 9107.8041 -9107.8041
1717 1829.0663 -2213.3036 -2213.3036 9175.3 -9175.3
Loop time of 0.0733089 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.16874 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1700 1829.0663 -2084.1605 -2084.1605 13624.945 -13624.945
1710 1779.5524 -2080.8994 -2080.8994 14128.185 -14128.185
@ -422,14 +422,14 @@ Step Temp PotEng pe Press press
1780 1765.9084 -2080.4333 -2080.4333 13078.099 -13078.099
1790 1789.7561 -2082.0285 -2082.0285 14554.229 -14554.229
1800 1829.1775 -2084.635 -2084.635 13805.939 -13805.939
Loop time of 0.404544 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.932086 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1800 1829.1775 -2084.635 -2084.635 13805.939 -13805.939
1810 1829.1775 -2212.3837 -2212.3837 9102.0595 -9102.0595
1819 1829.1775 -2213.3066 -2213.3066 9177.2688 -9177.2688
Loop time of 0.0820289 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.189774 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1800 1829.1775 -2084.635 -2084.635 13805.939 -13805.939
1810 1777.6043 -2081.256 -2081.256 12463.518 -12463.518
@ -442,14 +442,14 @@ Step Temp PotEng pe Press press
1880 1740.2796 -2078.9273 -2078.9273 13479.681 -13479.681
1890 1822.1093 -2084.357 -2084.357 12947.829 -12947.829
1900 1839.3254 -2085.5285 -2085.5285 13682.582 -13682.582
Loop time of 0.40584 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.940295 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1900 1839.3254 -2085.5285 -2085.5285 13682.582 -13682.582
1910 1839.3254 -2212.5066 -2212.5066 9226.4443 -9226.4443
1920 1839.3254 -2213.3139 -2213.3139 9246.9668 -9246.9668
Loop time of 0.0954092 on 1 procs for 20 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.25582 on 1 procs for 20 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1900 1839.3254 -2085.5285 -2085.5285 13682.582 -13682.582
1910 1760.5454 -2080.3881 -2080.3881 13962.901 -13962.901
@ -462,14 +462,14 @@ Step Temp PotEng pe Press press
1980 1751.4323 -2079.7264 -2079.7264 13959.012 -13959.012
1990 1852.2652 -2086.3356 -2086.3356 14510.278 -14510.278
2000 1848.057 -2086.0639 -2086.0639 14799.833 -14799.833
Loop time of 0.407484 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.919041 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2000 1848.057 -2086.0639 -2086.0639 14799.833 -14799.833
2010 1848.057 -2212.5692 -2212.5692 9241.8134 -9241.8134
2020 1848.057 -2213.3181 -2213.3181 9311.1322 -9311.1322
Loop time of 0.0953021 on 1 procs for 20 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.212313 on 1 procs for 20 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2000 1848.057 -2082.3657 -2082.3657 14182.615 -14182.615
2010 1850.2978 -2082.5939 -2082.5939 13998.468 -13998.468
@ -482,14 +482,14 @@ Step Temp PotEng pe Press press
2080 1806.1957 -2080.8953 -2080.8953 11574.441 -11574.441
2090 1849.1478 -2083.8567 -2083.8567 12488.614 -12488.614
2100 1840.3571 -2083.4596 -2083.4596 13358.871 -13358.871
Loop time of 0.40778 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.912273 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2100 1840.3571 -2083.4596 -2083.4596 13358.871 -13358.871
2110 1840.3571 -2212.0031 -2212.0031 9154.4944 -9154.4944
2118 1840.3571 -2213.2497 -2213.2497 9248.4884 -9248.4884
Loop time of 0.079211 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.181218 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2100 1840.3571 -2083.4596 -2083.4596 13358.871 -13358.871
2110 1826.6272 -2086.1289 -2086.1289 12675.078 -12675.078
@ -502,8 +502,8 @@ Step Temp PotEng pe Press press
2180 1831.5754 -2080.3657 -2080.3657 13537.672 -13537.672
2190 1854.2487 -2084.1235 -2084.1235 12138.181 -12138.181
2200 1777.3351 -2082.8432 -2082.8432 11143.249 -11143.249
Loop time of 0.403761 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.909687 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2100 1777.3351 -2082.8432 -2082.8432 11143.249 -11143.249
2110 1726.6282 -2079.6804 -2079.6804 10594.068 -10594.068
@ -516,14 +516,14 @@ Step Temp PotEng pe Press press
2180 1854.5521 -2087.7198 -2087.7198 13265.04 -13265.04
2190 1772.8999 -2082.3241 -2082.3241 12440.79 -12440.79
2200 1827.1037 -2085.9037 -2085.9037 11319.654 -11319.654
Loop time of 0.405373 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.895891 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2200 1827.1037 -2085.9037 -2085.9037 11319.654 -11319.654
2210 1827.1037 -2212.2645 -2212.2645 9082.4653 -9082.4653
2218 1827.1037 -2213.2791 -2213.2791 9158.6844 -9158.6844
Loop time of 0.079915 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.180382 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2200 1827.1037 -2085.9037 -2085.9037 11319.654 -11319.654
2210 1768.0961 -2082.0127 -2082.0127 10274.787 -10274.787
@ -536,14 +536,14 @@ Step Temp PotEng pe Press press
2280 1803.2934 -2081.1174 -2081.1174 13315.78 -13315.78
2290 1924.5845 -2088.1078 -2088.1078 13081.487 -13081.487
2300 1971.1015 -2090.0948 -2090.0948 13224.014 -13224.014
Loop time of 0.409146 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.908005 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2300 1971.1015 -2090.0948 -2090.0948 13224.014 -13224.014
2310 1971.1015 -2212.5647 -2212.5647 10080.999 -10080.999
2316 1971.1015 -2213.2583 -2213.2583 10146.497 -10146.497
Loop time of 0.0700569 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.136956 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2300 1971.1015 -2090.0948 -2090.0948 13224.014 -13224.014
2310 1815.8108 -2078.8517 -2078.8517 13395.532 -13395.532
@ -556,14 +556,14 @@ Step Temp PotEng pe Press press
2380 1871.0418 -2074.4063 -2074.4063 15285.758 -15285.758
2390 1960.7663 -2079.4883 -2079.4883 14090.294 -14090.294
2400 1964.1471 -2079.0987 -2079.0987 13845.14 -13845.14
Loop time of 0.408309 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.935571 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2400 1964.1471 -2079.0987 -2079.0987 13845.14 -13845.14
2410 1964.1471 -2212.1166 -2212.1166 10039.236 -10039.236
2419 1964.1471 -2213.3133 -2213.3133 10105.106 -10105.106
Loop time of 0.084729 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.156697 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2400 1964.1471 -2079.0987 -2079.0987 13845.14 -13845.14
2410 1909.3798 -2075.1352 -2075.1352 13791.102 -13791.102
@ -576,14 +576,14 @@ Step Temp PotEng pe Press press
2480 1936.5659 -2077.3349 -2077.3349 13422.971 -13422.971
2490 1874.4412 -2073.7744 -2073.7744 13080.429 -13080.429
2500 1878.5245 -2074.7144 -2074.7144 13028.135 -13028.135
Loop time of 0.409924 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.977233 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2500 1878.5245 -2074.7144 -2074.7144 13028.135 -13028.135
2510 1878.5245 -2212.4007 -2212.4007 9458.468 -9458.468
2520 1878.5245 -2213.2968 -2213.2968 9515.2977 -9515.2977
Loop time of 0.0928409 on 1 procs for 20 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.178741 on 1 procs for 20 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2500 1878.5245 -2074.7144 -2074.7144 13028.135 -13028.135
2510 1908.1964 -2077.4687 -2077.4687 13171.138 -13171.138
@ -596,14 +596,14 @@ Step Temp PotEng pe Press press
2580 1823.4886 -2079.8938 -2079.8938 12939.26 -12939.26
2590 1820.8017 -2080.7976 -2080.7976 12196.4 -12196.4
2600 1815.0263 -2081.3462 -2081.3462 12452.615 -12452.615
Loop time of 0.407484 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.986542 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2600 1815.0263 -2081.3462 -2081.3462 12452.615 -12452.615
2610 1815.0263 -2212.4191 -2212.4191 9003.0001 -9003.0001
2618 1815.0263 -2213.3107 -2213.3107 9082.241 -9082.241
Loop time of 0.0776141 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
2618 1815.0263 -2213.3107 -2213.3107 9082.2407 -9082.2407
Loop time of 0.150913 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2600 1815.0263 -2081.3462 -2081.3462 12452.615 -12452.615
2610 1812.4752 -2081.983 -2081.983 12506.037 -12506.037
@ -616,14 +616,14 @@ Step Temp PotEng pe Press press
2680 1743.9276 -2080.0262 -2080.0262 14023.892 -14023.892
2690 1830.389 -2085.8927 -2085.8927 12300.015 -12300.015
2700 1798.3387 -2083.9339 -2083.9339 11769.005 -11769.005
Loop time of 0.408234 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.98452 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2700 1798.3387 -2083.9339 -2083.9339 11769.005 -11769.005
2710 1798.3387 -2212.3073 -2212.3073 8884.0648 -8884.0648
2717 1798.3387 -2213.1852 -2213.1852 8951.458 -8951.458
Loop time of 0.071552 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
2710 1798.3387 -2212.3073 -2212.3073 8884.0647 -8884.0647
2717 1798.3387 -2213.1852 -2213.1852 8951.4579 -8951.4579
Loop time of 0.1326 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2700 1798.3387 -2083.9339 -2083.9339 11769.005 -11769.005
2710 1754.9853 -2081.1966 -2081.1966 10895.748 -10895.748
@ -632,66 +632,66 @@ Step Temp PotEng pe Press press
2740 1678.3321 -2076.26 -2076.26 12103.273 -12103.273
2750 1792.3155 -2083.6408 -2083.6408 10910.021 -10910.021
2760 1793.3457 -2083.5335 -2083.5335 11112.58 -11112.58
2770 1783.3647 -2082.7064 -2082.7064 12414.624 -12414.624
2770 1783.3648 -2082.7064 -2082.7064 12414.624 -12414.624
2780 1890.7919 -2089.6318 -2089.6318 13035.881 -13035.881
2790 1958.4314 -2094.0529 -2094.0529 12945.513 -12945.513
2790 1958.4314 -2094.0529 -2094.0529 12945.512 -12945.512
2800 1846.9748 -2086.8497 -2086.8497 12698.205 -12698.205
Loop time of 0.401852 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.931577 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2800 1846.9748 -2086.8497 -2086.8497 12698.205 -12698.205
2810 1846.9748 -2212.2819 -2212.2819 9255.2037 -9255.2037
2817 1846.9748 -2213.302 -2213.302 9297.9895 -9297.9895
Loop time of 0.0713151 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.146424 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2800 1846.9748 -2086.8497 -2086.8497 12698.205 -12698.205
2810 1737.7653 -2079.8369 -2079.8369 12161.013 -12161.013
2820 1778.661 -2082.6812 -2082.6812 10884.363 -10884.363
2830 1680.2922 -2076.2683 -2076.2683 10893.477 -10893.477
2840 1628.6318 -2072.7953 -2072.7953 11286.163 -11286.163
2840 1628.6319 -2072.7953 -2072.7953 11286.162 -11286.162
2850 1756.1404 -2080.9591 -2080.9591 10566.828 -10566.828
2860 1813.0088 -2084.3621 -2084.3621 10908.878 -10908.878
2870 1799.712 -2083.1352 -2083.1352 11877.702 -11877.702
2860 1813.0089 -2084.3621 -2084.3621 10908.878 -10908.878
2870 1799.712 -2083.1352 -2083.1352 11877.701 -11877.701
2880 1847.7942 -2085.9613 -2085.9613 13148.415 -13148.415
2890 1866.4591 -2086.8865 -2086.8865 14310.701 -14310.701
2900 1835.8467 -2084.6274 -2084.6274 14718.615 -14718.615
Loop time of 0.409254 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.957586 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2900 1835.8467 -2084.6274 -2084.6274 14718.615 -14718.615
2910 1835.8467 -2212.3349 -2212.3349 9142.28 -9142.28
2919 1835.8467 -2213.309 -2213.309 9226.5413 -9226.5413
Loop time of 0.0861042 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
2910 1835.8467 -2212.3349 -2212.3349 9142.2801 -9142.2801
2919 1835.8467 -2213.309 -2213.309 9226.5415 -9226.5415
Loop time of 0.195334 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2900 1835.8467 -2077.8568 -2077.8568 12512.22 -12512.22
2910 1886.9145 -2081.0447 -2081.0447 11832.188 -11832.188
2920 1874.5079 -2080.147 -2080.147 10664.366 -10664.366
2920 1874.5079 -2080.147 -2080.147 10664.367 -10664.367
2930 1771.5828 -2073.3548 -2073.3548 11388.497 -11388.497
2940 1796.0834 -2074.9646 -2074.9646 10567.4 -10567.4
2950 1852.9035 -2078.6967 -2078.6967 10363.875 -10363.875
2960 1825.1574 -2076.9107 -2076.9107 9902.11 -9902.11
2970 1761.9936 -2072.8115 -2072.8115 9815.4957 -9815.4957
2980 1845.6888 -2078.3982 -2078.3982 9938.8976 -9938.8976
2960 1825.1573 -2076.9107 -2076.9107 9902.1101 -9902.1101
2970 1761.9936 -2072.8115 -2072.8115 9815.496 -9815.496
2980 1845.6888 -2078.3982 -2078.3982 9938.8982 -9938.8982
2990 1856.6545 -2079.2407 -2079.2407 11818.597 -11818.597
3000 1824.1742 -2077.2987 -2077.2987 12967.559 -12967.559
Loop time of 0.40896 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.955592 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
3000 1824.1742 -2077.2987 -2077.2987 12967.559 -12967.559
3020 1824.1742 -2213.3189 -2213.3189 9143.6395 -9143.6395
Loop time of 0.0937889 on 1 procs for 20 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
3020 1824.1742 -2213.3189 -2213.3189 9143.6397 -9143.6397
Loop time of 0.152794 on 1 procs for 20 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
3000 1824.1742 -2077.2987 -2077.2987 12967.559 -12967.559
Loop time of 11.7689 on 1 procs for 20 steps with 511 atoms
Loop time of 26.9772 on 1 procs for 20 steps with 511 atoms
PRD stats:
Dephase time (%) = 1.61133 (13.6914)
Dynamics time (%) = 8.12251 (69.0167)
Quench time (%) = 1.62309 (13.7913)
Other time (%) = 0.255248 (2.16883)
Dephase time (%) = 3.64602 (13.5152)
Dynamics time (%) = 18.7196 (69.3903)
Quench time (%) = 3.55664 (13.1839)
Other time (%) = 0.58366 (2.16353)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0

218
examples/prd/log.prd.3.15Jan10.linux.4
View File

@ -73,7 +73,7 @@ neigh_modify every 1 delay 10 check yes
# equilibrate
run 1000
Memory usage per processor = 1.70934 Mbytes
Memory usage per processor = 1.67119 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1802.5039 -2211.666 0 -2092.8401 12351.692
10 996.01982 -2158.3093 0 -2092.649 14285.475
@ -176,13 +176,13 @@ Step Temp E_pair E_mol TotEng Press
980 1204.7062 -2127.2045 0 -2047.7871 9147.2135
990 1237.2369 -2128.9751 0 -2047.4131 9133.9513
1000 1328.5448 -2134.6343 0 -2047.053 8722.3314
Loop time of 3.68673 on 1 procs for 1000 steps with 511 atoms
Loop time of 8.45157 on 1 procs for 1000 steps with 511 atoms
Pair time (%) = 3.60625 (97.8169)
Neigh time (%) = 0.0337732 (0.916073)
Comm time (%) = 0.0137122 (0.371933)
Outpt time (%) = 0.00125241 (0.0339708)
Other time (%) = 0.0317488 (0.861163)
Pair time (%) = 8.27141 (97.8684)
Neigh time (%) = 0.0874004 (1.03413)
Comm time (%) = 0.0277309 (0.328116)
Outpt time (%) = 0.00159502 (0.0188725)
Other time (%) = 0.0634313 (0.750526)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
@ -221,13 +221,13 @@ prd 2000 100 10 10 100 1 54985 temp 1800 min 1e-05 ${ftol} ${maxiter} ${ma
prd 2000 100 10 10 100 1 54985 temp 1800 min 1e-05 1e-05 ${maxiter} ${maxeval} vel all uniform
prd 2000 100 10 10 100 1 54985 temp 1800 min 1e-05 1e-05 100 ${maxeval} vel all uniform
prd 2000 100 10 10 100 1 54985 temp 1800 min 1e-05 1e-05 100 100 vel all uniform
Memory usage per processor = 3.42595 Mbytes
Memory usage per processor = 3.38781 Mbytes
Step Temp PotEng pe Press press
1000 1328.5448 -2134.6343 -2134.6343 8722.3314 -8722.3314
1010 1328.5448 -2212.9298 -2212.9298 5706.5497 -5706.5497
1016 1328.5448 -2213.2943 -2213.2943 5740.2816 -5740.2816
Loop time of 0.0639489 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.166571 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1000 1328.5448 -2134.6343 -2134.6343 8722.3314 -8722.3314
1010 1499.6221 -2114.4994 -2114.4994 11847.238 -11847.238
@ -240,8 +240,8 @@ Step Temp PotEng pe Press press
1080 1711.6675 -2093.1526 -2093.1526 13132.002 -13132.002
1090 1724.4656 -2088.128 -2088.128 14243.603 -14243.603
1100 1792.2927 -2087.5911 -2087.5911 13970.673 -13970.673
Loop time of 0.395373 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.875857 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1000 1792.2927 -2087.5911 -2087.5911 13970.673 -13970.673
1010 1773.3573 -2086.323 -2086.323 14079.707 -14079.707
@ -254,14 +254,14 @@ Step Temp PotEng pe Press press
1080 1798.9555 -2087.7172 -2087.7172 13915.079 -13915.079
1090 1745.4459 -2084.1359 -2084.1359 13142.863 -13142.863
1100 1772.87 -2085.907 -2085.907 13217.67 -13217.67
Loop time of 0.407152 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.920685 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1100 1772.87 -2085.907 -2085.907 13217.67 -13217.67
1110 1772.87 -2212.5359 -2212.5359 8729.3741 -8729.3741
1118 1772.87 -2213.3091 -2213.3091 8789.7642 -8789.7642
Loop time of 0.0775189 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.177702 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1100 1772.87 -2088.7287 -2088.7287 13889.043 -13889.043
1110 1780.1307 -2089.1698 -2089.1698 13245.331 -13245.331
@ -274,14 +274,14 @@ Step Temp PotEng pe Press press
1180 1759.4339 -2087.2844 -2087.2844 13740.387 -13740.387
1190 1776.2312 -2088.331 -2088.331 14406.696 -14406.696
1200 1860.3964 -2093.8616 -2093.8616 15216.442 -15216.442
Loop time of 0.405944 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.948807 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1200 1860.3964 -2093.8616 -2093.8616 15216.442 -15216.442
1210 1860.3964 -2212.8393 -2212.8393 9337.5549 -9337.5549
1216 1860.3964 -2213.2983 -2213.2983 9394.4144 -9394.4144
Loop time of 0.0678091 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.166676 on 1 procs for 16 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1200 1860.3964 -2093.1442 -2093.1442 14393.214 -14393.214
1210 1973.9334 -2100.7254 -2100.7254 13462.348 -13462.348
@ -294,14 +294,14 @@ Step Temp PotEng pe Press press
1280 1767.0724 -2086.4295 -2086.4295 13260.19 -13260.19
1290 1755.0389 -2085.5615 -2085.5615 16402.48 -16402.48
1300 2129.6414 -2110.3023 -2110.3023 16151.73 -16151.73
Loop time of 0.40664 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.967428 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1300 2129.6414 -2110.3023 -2110.3023 16151.73 -16151.73
1310 2129.6414 -2212.7101 -2212.7101 11194.01 -11194.01
1317 2129.6414 -2213.305 -2213.305 11240.157 -11240.157
Loop time of 0.0766921 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.160523 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1300 2129.6414 -2110.3023 -2110.3023 16151.73 -16151.73
1310 1817.2499 -2090.9176 -2090.9176 14900.586 -14900.586
@ -314,8 +314,8 @@ Step Temp PotEng pe Press press
1380 1813.2581 -2095.1008 -2095.1008 12805.907 -12805.907
1390 1719.6553 -2089.7931 -2089.7931 12628.925 -12628.925
1400 1815.3388 -2090.7892 -2090.7892 13021.107 -13021.107
Loop time of 0.403574 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.911931 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1300 1815.3388 -2090.7892 -2090.7892 13021.107 -13021.107
1310 1768.9368 -2087.7248 -2087.7248 13502.515 -13502.515
@ -328,14 +328,14 @@ Step Temp PotEng pe Press press
1380 1733.518 -2084.9451 -2084.9451 13273.231 -13273.231
1390 1739.5222 -2085.266 -2085.266 12668.718 -12668.718
1400 1756.0634 -2086.2668 -2086.2668 12581.008 -12581.008
Loop time of 0.406235 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 1.04367 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1400 1756.0634 -2086.2668 -2086.2668 12581.008 -12581.008
1410 1756.0634 -2212.217 -2212.217 8596.9155 -8596.9155
1417 1756.0634 -2213.2725 -2213.2725 8670.1687 -8670.1687
Loop time of 0.0729809 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.152951 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1400 1756.0634 -2086.2668 -2086.2668 12581.008 -12581.008
1410 1770.0026 -2087.1134 -2087.1134 12811.673 -12811.673
@ -348,14 +348,14 @@ Step Temp PotEng pe Press press
1480 1770.5177 -2086.57 -2086.57 14709.129 -14709.129
1490 1799.9517 -2088.4519 -2088.4519 15114.416 -15114.416
1500 1866.364 -2092.824 -2092.824 14421.374 -14421.374
Loop time of 0.40564 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.914372 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1500 1866.364 -2092.824 -2092.824 14421.374 -14421.374
1510 1866.364 -2212.6024 -2212.6024 9373.0114 -9373.0114
1517 1866.364 -2213.2829 -2213.2829 9429.8561 -9429.8561
Loop time of 0.0782611 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.212788 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1500 1866.364 -2093.2259 -2093.2259 12762.339 -12762.339
1510 1761.8834 -2086.3658 -2086.3658 12864.933 -12864.933
@ -368,14 +368,14 @@ Step Temp PotEng pe Press press
1580 1868.2535 -2092.5247 -2092.5247 12886.362 -12886.362
1590 1817.7427 -2089.1832 -2089.1832 13906.856 -13906.856
1600 1756.8633 -2085.1834 -2085.1834 13470.236 -13470.236
Loop time of 0.405579 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.923892 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1600 1756.8633 -2085.1834 -2085.1834 13470.236 -13470.236
1610 1756.8633 -2211.929 -2211.929 8556.6344 -8556.6344
1619 1756.8633 -2213.3211 -2213.3211 8682.7096 -8682.7096
Loop time of 0.0798111 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.192507 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1600 1756.8633 -2085.1834 -2085.1834 13470.236 -13470.236
1610 1888.4854 -2088.5555 -2088.5555 13069.605 -13069.605
@ -388,8 +388,8 @@ Step Temp PotEng pe Press press
1680 1799.6678 -2087.8208 -2087.8208 12958.81 -12958.81
1690 1720.2712 -2082.5441 -2082.5441 13225.66 -13225.66
1700 1797.4263 -2082.3377 -2082.3377 14073.957 -14073.957
Loop time of 0.408444 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.927818 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1600 1797.4263 -2082.3377 -2082.3377 14073.957 -14073.957
1610 1814.268 -2083.4268 -2083.4268 13334.882 -13334.882
@ -402,14 +402,14 @@ Step Temp PotEng pe Press press
1680 1827.1761 -2084.4203 -2084.4203 14583.491 -14583.491
1690 1768.4107 -2080.6112 -2080.6112 14726.494 -14726.494
1700 1788.2753 -2081.9442 -2081.9442 14367.848 -14367.848
Loop time of 0.409821 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.910619 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1700 1788.2753 -2081.9442 -2081.9442 14367.848 -14367.848
1710 1788.2753 -2212.2868 -2212.2868 8818.5474 -8818.5474
1719 1788.2753 -2213.3084 -2213.3084 8892.0571 -8892.0571
Loop time of 0.085366 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.192771 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1700 1788.2753 -2081.9442 -2081.9442 14367.848 -14367.848
1710 1832.5096 -2084.8709 -2084.8709 13582.222 -13582.222
@ -419,17 +419,17 @@ Step Temp PotEng pe Press press
1750 1826.1496 -2084.4715 -2084.4715 13536.538 -13536.538
1760 1776.0418 -2081.1877 -2081.1877 13014.673 -13014.673
1770 1772.8406 -2080.9743 -2080.9743 12403.965 -12403.965
1780 1778.0204 -2081.2873 -2081.2873 11933.308 -11933.308
1780 1778.0204 -2081.2873 -2081.2873 11933.309 -11933.309
1790 1754.6805 -2079.6886 -2079.6886 12748.901 -12748.901
1800 1821.914 -2084.0547 -2084.0547 14356.53 -14356.53
Loop time of 0.402915 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.913487 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1800 1821.914 -2084.0547 -2084.0547 14356.53 -14356.53
1810 1821.914 -2212.7455 -2212.7455 9085.4117 -9085.4117
1817 1821.914 -2213.304 -2213.304 9127.6369 -9127.6369
Loop time of 0.073878 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
1817 1821.914 -2213.304 -2213.304 9127.637 -9127.637
Loop time of 0.197032 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1800 1821.914 -2084.0547 -2084.0547 14356.53 -14356.53
1810 1832.888 -2084.7388 -2084.7388 14869.576 -14869.576
@ -442,14 +442,14 @@ Step Temp PotEng pe Press press
1880 1758.4954 -2080.53 -2080.53 12688.941 -12688.941
1890 1766.494 -2081.0687 -2081.0687 13333.735 -13333.735
1900 1867.2417 -2087.711 -2087.711 14203.811 -14203.811
Loop time of 0.408734 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.975971 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
1900 1867.2417 -2087.711 -2087.711 14203.811 -14203.811
1910 1867.2417 -2212.2808 -2212.2808 9358.7713 -9358.7713
1918 1867.2417 -2213.2492 -2213.2492 9436.8788 -9436.8788
Loop time of 0.0788269 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.179058 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
1900 1867.2417 -2087.711 -2087.711 14203.811 -14203.811
1910 1859.6351 -2087.2665 -2087.2665 14043.107 -14043.107
@ -462,14 +462,14 @@ Step Temp PotEng pe Press press
1980 1852.2384 -2086.2466 -2086.2466 14369.346 -14369.346
1990 1870.3277 -2087.3396 -2087.3396 15639.515 -15639.515
2000 1861.4149 -2086.761 -2086.761 15563.494 -15563.494
Loop time of 0.402708 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.920351 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2000 1861.4149 -2086.761 -2086.761 15563.494 -15563.494
2010 1861.4149 -2212.7146 -2212.7146 9362.873 -9362.873
2017 1861.4149 -2213.2734 -2213.2734 9400.4083 -9400.4083
Loop time of 0.073313 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.161563 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2000 1861.4149 -2082.3657 -2082.3657 14274.358 -14274.358
2010 1831.2986 -2080.4556 -2080.4556 14756.051 -14756.051
@ -482,14 +482,14 @@ Step Temp PotEng pe Press press
2080 1798.1605 -2079.8851 -2079.8851 11203.462 -11203.462
2090 1788.0709 -2079.4657 -2079.4657 10582.009 -10582.009
2100 1758.6297 -2077.7405 -2077.7405 11494.933 -11494.933
Loop time of 0.408757 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.900181 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2100 1758.6297 -2077.7405 -2077.7405 11494.933 -11494.933
2110 1758.6297 -2211.7125 -2211.7125 8525.1101 -8525.1101
2118 1758.6297 -2213.235 -2213.235 8694.091 -8694.091
Loop time of 0.073709 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
2110 1758.6297 -2211.7125 -2211.7125 8525.11 -8525.11
2118 1758.6297 -2213.235 -2213.235 8694.0911 -8694.0911
Loop time of 0.181373 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2100 1758.6297 -2077.7405 -2077.7405 11494.933 -11494.933
2110 1779.7559 -2082.5887 -2082.5887 12240.989 -12240.989
@ -502,8 +502,8 @@ Step Temp PotEng pe Press press
2180 1780.2708 -2085.4337 -2085.4337 11792.946 -11792.946
2190 1862.9279 -2089.8433 -2089.8433 11097.493 -11097.493
2200 1763.586 -2087.7319 -2087.7319 11053.381 -11053.381
Loop time of 0.403341 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.896703 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2100 1763.586 -2087.7319 -2087.7319 11053.381 -11053.381
2110 1744.9165 -2086.7563 -2086.7563 11230.879 -11230.879
@ -516,14 +516,14 @@ Step Temp PotEng pe Press press
2180 1797.351 -2090.037 -2090.037 9378.6057 -9378.6057
2190 1702.7978 -2083.3581 -2083.3581 10293.561 -10293.561
2200 1728.7039 -2084.4873 -2084.4873 11265.33 -11265.33
Loop time of 0.404042 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.862608 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2200 1728.7039 -2084.4873 -2084.4873 11265.33 -11265.33
2210 1728.7039 -2211.9759 -2211.9759 8365.3335 -8365.3335
2218 1728.7039 -2213.2882 -2213.2882 8486.3907 -8486.3907
Loop time of 0.0798202 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.206835 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2200 1728.7039 -2084.4873 -2084.4873 11265.33 -11265.33
2210 1782.0701 -2087.2243 -2087.2243 11429.168 -11429.168
@ -536,14 +536,14 @@ Step Temp PotEng pe Press press
2280 1852.3907 -2083.5404 -2083.5404 11863.396 -11863.396
2290 1800.0114 -2079.0271 -2079.0271 11263.199 -11263.199
2300 1800.5241 -2078.1357 -2078.1357 11207.976 -11207.976
Loop time of 0.410809 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.894073 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2300 1800.5241 -2078.1357 -2078.1357 11207.976 -11207.976
2310 1800.5241 -2212.3382 -2212.3382 8893.6756 -8893.6756
2319 1800.5241 -2213.3057 -2213.3057 8978.0691 -8978.0691
Loop time of 0.0875261 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
2319 1800.5241 -2213.3057 -2213.3057 8978.0688 -8978.0688
Loop time of 0.18908 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2300 1800.5241 -2078.1357 -2078.1357 11207.976 -11207.976
2310 1845.9726 -2080.2977 -2080.2977 11021.907 -11021.907
@ -556,14 +556,14 @@ Step Temp PotEng pe Press press
2380 1819.6703 -2075.994 -2075.994 11663.362 -11663.362
2390 1874.3666 -2079.5739 -2079.5739 11455.638 -11455.638
2400 1938.1832 -2083.8723 -2083.8723 11562.545 -11562.545
Loop time of 0.407071 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.855519 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2400 1938.1832 -2083.8723 -2083.8723 11562.545 -11562.545
2410 1938.1832 -2212.2914 -2212.2914 9835.174 -9835.174
2418 1938.1832 -2213.2897 -2213.2897 9922.8468 -9922.8468
Loop time of 0.0806868 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.199836 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2400 1938.1832 -2083.8723 -2083.8723 11562.545 -11562.545
2410 1830.6356 -2076.9996 -2076.9996 11456.198 -11456.198
@ -576,14 +576,14 @@ Step Temp PotEng pe Press press
2480 1831.4164 -2078.8534 -2078.8534 13154.621 -13154.621
2490 1874.7179 -2082.0814 -2082.0814 12789.634 -12789.634
2500 1883.018 -2083.1073 -2083.1073 12357.342 -12357.342
Loop time of 0.40929 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.890432 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2500 1883.018 -2083.1073 -2083.1073 12357.342 -12357.342
2510 1883.018 -2212.3799 -2212.3799 9468.081 -9468.081
2519 1883.018 -2213.3057 -2213.3057 9545.3946 -9545.3946
Loop time of 0.0891981 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.22083 on 1 procs for 19 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2500 1883.018 -2083.1073 -2083.1073 12357.342 -12357.342
2510 1842.123 -2080.9921 -2080.9921 12584.315 -12584.315
@ -596,14 +596,14 @@ Step Temp PotEng pe Press press
2580 1735.8237 -2079.2032 -2079.2032 10750.403 -10750.403
2590 1737.6605 -2079.9854 -2079.9854 10148.558 -10148.558
2600 1746.3111 -2081.1313 -2081.1313 9904.5415 -9904.5415
Loop time of 0.407847 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.869612 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2600 1746.3111 -2081.1313 -2081.1313 9904.5415 -9904.5415
2610 1746.3111 -2212.1275 -2212.1275 8524.2257 -8524.2257
2618 1746.3111 -2213.2771 -2213.2771 8605.7753 -8605.7753
Loop time of 0.07675 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.239325 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2600 1746.3111 -2081.1313 -2081.1313 9904.5415 -9904.5415
2610 1738.3477 -2081.0933 -2081.0933 9889.9985 -9889.9985
@ -616,14 +616,14 @@ Step Temp PotEng pe Press press
2680 1723.2046 -2082.2894 -2082.2894 10328.836 -10328.836
2690 1715.8255 -2081.9911 -2081.9911 10757.711 -10757.711
2700 1737.1938 -2083.4959 -2083.4959 10238.633 -10238.633
Loop time of 0.409161 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.901982 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2700 1737.1938 -2083.4959 -2083.4959 10238.633 -10238.633
2710 1737.1938 -2212.2454 -2212.2454 8473.7099 -8473.7099
2718 1737.1938 -2213.2663 -2213.2663 8540.9402 -8540.9402
Loop time of 0.0784478 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.198383 on 1 procs for 18 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2700 1737.1938 -2083.4959 -2083.4959 10238.633 -10238.633
2710 1733.7983 -2083.2737 -2083.2737 10611.674 -10611.674
@ -636,14 +636,14 @@ Step Temp PotEng pe Press press
2780 1760.2052 -2084.4429 -2084.4429 10694.87 -10694.87
2790 1703.6948 -2080.6063 -2080.6063 10741.392 -10741.392
2800 1732.6339 -2082.2785 -2082.2785 10623.662 -10623.662
Loop time of 0.406288 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.914226 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2800 1732.6339 -2082.2785 -2082.2785 10623.662 -10623.662
2810 1732.6339 -2212.105 -2212.105 8455.4743 -8455.4743
2817 1732.6339 -2213.255 -2213.255 8507.5073 -8507.5073
Loop time of 0.063709 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.159918 on 1 procs for 17 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2800 1732.6339 -2082.2785 -2082.2785 10623.662 -10623.662
2810 1757.5174 -2083.5476 -2083.5476 10434.673 -10434.673
@ -656,15 +656,15 @@ Step Temp PotEng pe Press press
2880 1882.1399 -2084.8233 -2084.8233 10563.646 -10563.646
2890 1858.6458 -2081.9833 -2081.9833 11662.842 -11662.842
2900 1813.8041 -2077.8568 -2077.8568 12360.829 -12360.829
Loop time of 0.408161 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.909715 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
2900 1813.8041 -2077.8568 -2077.8568 12360.829 -12360.829
2910 1813.8041 -2211.4623 -2211.4623 8911.9781 -8911.9781
2920 1813.8041 -2213.2995 -2213.2995 9072.3562 -9072.3562
2921 1813.8041 -2213.3161 -2213.3161 9072.7585 -9072.7585
Loop time of 0.09166 on 1 procs for 21 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
Loop time of 0.203321 on 1 procs for 21 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
2900 1813.8041 -2077.8568 -2077.8568 12360.829 -12360.829
2910 1860.9581 -2079.8735 -2079.8735 10644.997 -10644.997
@ -677,22 +677,22 @@ Step Temp PotEng pe Press press
2980 1868.3821 -2075.1798 -2075.1798 11614.694 -11614.694
2990 1919.3002 -2078.3088 -2078.3088 11849.294 -11849.294
3000 1885.2496 -2075.9909 -2075.9909 12637.301 -12637.301
Loop time of 0.409714 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.96001 Mbytes
Loop time of 0.920684 on 1 procs for 100 steps with 511 atoms
Memory usage per processor = 3.92186 Mbytes
Step Temp PotEng pe Press press
3000 1885.2496 -2075.9909 -2075.9909 12637.301 -12637.301
3021 1885.2496 -2213.3199 -2213.3199 9564.5961 -9564.5961
Loop time of 0.090019 on 1 procs for 21 steps with 511 atoms
Memory usage per processor = 3.27337 Mbytes
3021 1885.2496 -2213.3199 -2213.3199 9564.596 -9564.596
Loop time of 0.227642 on 1 procs for 21 steps with 511 atoms
Memory usage per processor = 3.23522 Mbytes
Step Temp PotEng pe Press press
3000 1885.2496 -2075.9909 -2075.9909 12637.301 -12637.301
Loop time of 11.769 on 1 procs for 21 steps with 511 atoms
Loop time of 27.0459 on 1 procs for 21 steps with 511 atoms
PRD stats:
Dephase time (%) = 1.61073 (13.6863)
Dynamics time (%) = 8.14251 (69.1862)
Quench time (%) = 1.57598 (13.391)
Other time (%) = 0.254427 (2.16184)
Dephase time (%) = 3.61231 (13.3562)
Dynamics time (%) = 18.3583 (67.8783)
Quench time (%) = 3.82011 (14.1246)
Other time (%) = 0.50999 (1.88564)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0