Skipping 716 KB..
Full Log
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 54.3324
LDB: Largest compute 200 load 0.431475 is 1.2% of average load 36.860210
LDB: Average compute 0.051645 is 0.1% of average load 36.860210
LDB: Partitioning computes with target load 3.686021
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055504
LDB: ============== END OF LOAD BALANCING =============== 54.3345
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.3354
Info: Initial time: 4 CPUs 0.474608 s/step 5.49315 days/ns 3221.5 MB memory
TIMING: 100 CPU: 48.4353, 0.473728/step Wall: 48.4353, 0.473728/step, 0.0526364 hours remaining, 3221.496094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 63.7891
LDB: ============== END OF LOAD BALANCING =============== 63.7891
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7896
TIMING: 120 CPU: 57.8887, 0.472667/step Wall: 57.8887, 0.472667/step, 0.0498926 hours remaining, 3221.675781 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8377 -222213.1815 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.3354, 0.472336/step Wall: 67.3354, 0.472336/step, 0.0472336 hours remaining, 3221.875000 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 150 21015.8993 19956.3835 5767.3089 192.0924 -334899.3755 20845.5771 0.0000 0.0000 44606.5898 -222515.5246 162.2665 -267122.1143 -222153.2667 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
ENERGY: 151 20656.1101 20586.9276 5763.7530 189.5631 -335303.4339 20835.7246 0.0000 0.0000 44710.6378 -222560.7176 162.6450 -267271.3555 -222155.1380 162.6450 -5407.8407 -2907.6331 921491.4634 -5407.8407 -2907.6331
ENERGY: 152 21757.0224 21203.4203 5761.8055 186.4838 -335072.1086 20820.7500 0.0000 0.0000 42914.6705 -222427.9561 156.1118 -265342.6265 -222175.0512 156.1118 -5552.0272 -2878.0876 921491.4634 -5552.0272 -2878.0876
ENERGY: 153 22396.4537 21618.6022 5761.5688 183.0547 -334307.6857 20787.1624 0.0000 0.0000 41296.2810 -222264.5628 150.2245 -263560.8439 -222152.0201 150.2245 -4765.4777 -2800.4121 921491.4634 -4765.4777 -2800.4121
ENERGY: 154 20952.1343 21640.3346 5761.9239 179.5647 -333344.9131 20735.3658 0.0000 0.0000 41746.1292 -222329.4605 151.8609 -264075.5897 -222148.7912 151.8609 -3178.1874 -2707.3605 921491.4634 -3178.1874 -2707.3605
ENERGY: 155 18734.5491 21249.5940 5761.4992 176.3183 -332564.0951 20691.4723 0.0000 0.0000 43448.4574 -222502.2048 158.0535 -265950.6622 -222145.9851 158.0535 -1408.3063 -2623.9032 921491.4634 -1408.3063 -2623.9032
ENERGY: 156 18312.4483 20599.9073 5758.8570 173.6449 -332218.9144 20684.3829 0.0000 0.0000 44137.5522 -222552.1218 160.5603 -266689.6740 -222166.8047 160.5603 -219.5095 -2571.5313 921491.4634 -219.5095 -2571.5313
ENERGY: 157 20043.0837 19943.2665 5753.0946 171.8900 -332363.0656 20715.7864 0.0000 0.0000 43325.6933 -222410.2510 157.6070 -265735.9443 -222155.5009 157.6070 -38.8543 -2554.7665 921491.4634 -38.8543 -2554.7665
ENERGY: 158 21695.0846 19425.3239 5743.5666 171.3409 -332829.8099 20761.5805 0.0000 0.0000 42713.6820 -222319.2315 155.3806 -265032.9135 -222157.3220 155.3806 -715.5936 -2586.7969 921491.4634 -715.5936 -2586.7969
ENERGY: 159 21695.6535 19084.6409 5730.9315 172.1899 -333376.4004 20800.7929 0.0000 0.0000 43483.6005 -222408.5912 158.1814 -265892.1917 -222160.0969 158.1814 -1882.1013 -2660.7875 921491.4634 -1882.1013 -2660.7875
TIMING: 160 CPU: 76.7746, 0.471958/step Wall: 76.7746, 0.471958/step, 0.0445738 hours remaining, 3222.039062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 160 21093.2843 18859.3045 5717.0749 174.4915 -333735.9154 20833.5471 0.0000 0.0000 44515.8596 -222542.3533 161.9365 -267058.2130 -222175.6786 161.9365 -3202.8706 -2752.7604 921491.4634 -3202.8706 -2752.7604
ENERGY: 161 21561.6003 18685.5959 5704.9781 178.2042 -333710.7597 20865.7132 0.0000 0.0000 44220.7113 -222493.9567 160.8628 -266714.6680 -222160.9739 160.8628 -4385.1102 -2823.4851 921491.4634 -4385.1102 -2823.4851
ENERGY: 162 22512.8126 18508.1492 5697.2826 183.0024 -333202.6496 20887.8856 0.0000 0.0000 43070.6067 -222342.9105 156.6790 -265413.5172 -222161.4907 156.6790 -5004.1554 -2859.8870 921491.4634 -5004.1554 -2859.8870
ENERGY: 163 21937.9852 18346.8657 5696.1509 188.4544 -332368.8224 20884.6195 0.0000 0.0000 43005.6962 -222309.0505 156.4429 -265314.7467 -222160.7801 156.4429 -4776.8220 -2868.7270 921491.4634 -4776.8220 -2868.7270
ENERGY: 164 19652.8065 18261.0400 5702.5306 194.0206 -331567.4469 20861.9108 0.0000 0.0000 44426.5345 -222468.6038 161.6115 -266895.1384 -222170.9034 161.6115 -3836.1732 -2870.4449 921491.4634 -3836.1732 -2870.4449
ENERGY: 165 18074.0951 18343.8150 5716.1638 199.2019 -331183.0465 20849.6742 0.0000 0.0000 45425.8564 -222574.2401 165.2468 -268000.0965 -222153.1698 165.2468 -2737.5185 -2867.1447 921491.4634 -2737.5185 -2867.1447
ENERGY: 166 18979.7069 18650.1654 5734.9735 203.3281 -331407.1002 20870.8939 0.0000 0.0000 44483.6889 -222484.3435 161.8194 -266968.0324 -222151.2327 161.8194 -1964.3635 -2870.3839 921491.4634 -1964.3635 -2870.3839
ENERGY: 167 21026.8306 19216.2867 5755.9248 205.8794 -332212.1860 20917.6388 0.0000 0.0000 42775.8062 -222313.8195 155.6066 -265089.6257 -222150.5298 155.6066 -1671.2499 -2889.5868 921491.4634 -1671.2499 -2889.5868
ENERGY: 168 21619.4181 19999.6889 5775.3367 206.4584 -333382.4926 20963.4337 0.0000 0.0000 42492.3350 -222325.8217 154.5754 -264818.1568 -222149.7708 154.5754 -1735.9905 -2933.5976 921491.4634 -1735.9905 -2933.5976
ENERGY: 169 20648.4665 20870.4069 5789.9166 204.9287 -334596.5071 20994.5722 0.0000 0.0000 43600.1910 -222488.0252 158.6055 -266088.2162 -222133.5316 158.6055 -2095.8776 -2988.7948 921491.4634 -2095.8776 -2988.7948
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 170 20485.0014 21574.3801 5797.0542 201.1981 -335480.2502 21017.8093 0.0000 0.0000 43834.2688 -222570.5383 159.4570 -266404.8071 -222135.2421 159.4570 -2696.1967 -3030.4961 921491.4634 -2696.1967 -3030.4961
ENERGY: 171 22225.3642 21884.1726 5796.1347 195.5169 -335757.0015 21036.7487 0.0000 0.0000 42205.8539 -222413.2105 153.5333 -264619.0644 -222135.5893 153.5333 -3373.1626 -3035.3578 921491.4634 -3373.1626 -3035.3578
ENERGY: 172 23612.5242 21689.2904 5788.4217 188.3823 -335345.7507 21036.2039 0.0000 0.0000 40787.7257 -222243.2027 148.3745 -263030.9283 -222132.3043 148.3745 -3754.4379 -3004.4813 921491.4634 -3754.4379 -3004.4813
ENERGY: 173 22089.5491 21081.4671 5776.7002 180.5475 -334414.6776 21003.0505 0.0000 0.0000 41986.3986 -222296.9647 152.7350 -264283.3633 -222121.1461 152.7350 -3608.5985 -2944.3814 921491.4634 -3608.5985 -2944.3814
ENERGY: 174 18699.8471 20250.6916 5763.7521 172.7179 -333314.9340 20954.5021 0.0000 0.0000 44924.4954 -222548.9278 163.4230 -267473.4232 -222120.6679 163.4230 -3086.0086 -2871.4631 921491.4634 -3086.0086 -2871.4631
ENERGY: 175 17219.9374 19455.5735 5752.1494 165.6559 -332464.6994 20928.3117 0.0000 0.0000 46291.0145 -222652.0570 168.3940 -268943.0715 -222120.1886 168.3940 -2676.4054 -2794.4451 921491.4634 -2676.4054 -2794.4451
ENERGY: 176 19195.1038 18891.7629 5743.5896 160.0071 -332124.2128 20943.2095 0.0000 0.0000 44722.5121 -222468.0280 162.6882 -267190.5400 -222127.3371 162.6882 -2658.3220 -2727.5044 921491.4634 -2658.3220 -2727.5044
ENERGY: 177 21863.3195 18664.1735 5738.9484 156.2659 -332371.2413 20981.6518 0.0000 0.0000 42714.2625 -222252.6197 155.3827 -264966.8822 -222125.5138 155.3827 -2870.6846 -2681.8089 921491.4634 -2870.6846 -2681.8089
ENERGY: 178 21917.7899 18733.9558 5737.6245 154.5770 -332975.2977 21015.2132 0.0000 0.0000 43101.1546 -222314.9826 156.7902 -265416.1372 -222126.1323 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
ENERGY: 179 20058.5719 19018.0839 5738.2698 154.9022 -333648.1820 21038.3003 0.0000 0.0000 45070.9165 -222569.1374 163.9556 -267640.0539 -222127.1795 163.9556 -2805.2708 -2668.3444 921491.4634 -2805.2708 -2668.3444
TIMING: 180 CPU: 86.2009, 0.471318/step Wall: 86.2009, 0.471318/step, 0.0418949 hours remaining, 3222.179688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 180 19770.2943 19384.7963 5738.8341 156.9935 -334084.3524 21065.2916 0.0000 0.0000 45324.2215 -222643.9212 164.8771 -267968.1427 -222142.6344 164.8771 -2684.8630 -2671.3561 921491.4634 -2684.8630 -2671.3561
ENERGY: 181 22122.8095 19693.8082 5737.3498 160.4696 -334134.1967 21097.1422 0.0000 0.0000 42906.0429 -222416.5746 156.0804 -265322.6175 -222134.4682 156.0804 -2655.0378 -2656.7563 921491.4634 -2655.0378 -2656.7563
ENERGY: 182 23922.3457 19800.0772 5732.0748 164.8150 -333691.2983 21109.5293 0.0000 0.0000 40770.0179 -222192.4384 148.3101 -262962.4563 -222132.7634 148.3101 -2461.5986 -2635.7203 921491.4634 -2461.5986 -2635.7203
ENERGY: 183 22149.3486 19677.1534 5722.7616 169.5349 -332921.8736 21084.4911 0.0000 0.0000 41834.8234 -222283.7607 152.1836 -264118.5841 -222131.2590 152.1836 -1990.8046 -2626.5158 921491.4634 -1990.8046 -2626.5158
ENERGY: 184 18376.8754 19424.9915 5710.5468 174.1844 -332181.9079 21042.4479 0.0000 0.0000 44880.5528 -222572.3090 163.2631 -267452.8618 -222144.6141 163.2631 -1576.6175 -2645.2273 921491.4634 -1576.6175 -2645.2273
ENERGY: 185 16957.7743 19234.6873 5697.7241 178.4155 -331895.6959 21023.9443 0.0000 0.0000 46149.4988 -222653.6517 167.8792 -268803.1505 -222128.1655 167.8792 -1752.9882 -2679.2076 921491.4634 -1752.9882 -2679.2076
ENERGY: 186 19266.0405 19234.9571 5686.4352 181.9571 -332240.0935 21043.7459 0.0000 0.0000 44391.5886 -222435.3691 161.4844 -266826.9577 -222129.2887 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1125 21076.9264 0.0000 0.0000 42449.0055 -222222.0800 154.4178 -264671.0856 -222130.9079 154.4178 -3641.8535 -2802.0866 921491.4634 -3641.8535 -2802.0866
ENERGY: 188 22101.1830 19886.6773 5676.0119 186.3502 -334382.7609 21093.9044 0.0000 0.0000 43113.1615 -222325.4725 156.8338 -265438.6340 -222135.3907 156.8338 -4316.2655 -2887.0590 921491.4634 -4316.2655 -2887.0590
ENERGY: 189 20394.2462 20391.8601 5678.8863 187.1154 -335558.5038 21096.5840 0.0000 0.0000 45245.6388 -222564.1730 164.5912 -267809.8118 -222116.4322 164.5912 -4451.6370 -2950.0786 921491.4634 -4451.6370 -2950.0786
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 190 20342.0726 20848.4448 5686.3597 187.0164 -336318.7430 21106.5487 0.0000 0.0000 45533.2634 -222615.0373 165.6375 -268148.3007 -222116.1589 165.6375 -4141.9210 -2962.8209 921491.4634 -4141.9210 -2962.8209
ENERGY: 191 22534.8506 21157.2826 5696.5257 186.2614 -336419.5248 21124.8644 0.0000 0.0000 43330.7335 -222389.0065 157.6253 -265719.7401 -222114.1139 157.6253 -3471.5976 -2915.5480 921491.4634 -3471.5976 -2915.5480
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ENERGY: 195 17581.7010 20169.9815 5719.7968 183.0839 -332603.8306 21048.2209 0.0000 0.0000 45307.7485 -222593.2979 164.8171 -267901.0464 -222091.6060 164.8171 -398.0877 -2592.7755 921491.4634 -398.0877 -2592.7755
ENERGY: 196 19755.8662 19594.9319 5717.4229 183.5644 -332319.6951 21082.8579 0.0000 0.0000 43603.6155 -222381.4363 158.6180 -265985.0518 -222096.3129 158.6180 -1480.5941 -2574.8093 921491.4634 -1480.5941 -2574.8093
ENERGY: 197 21700.3670 19122.7580 5714.1451 184.7200 -332668.2731 21129.4588 0.0000 0.0000 42574.3655 -222242.4589 154.8738 -264816.8243 -222086.7181 154.8738 -3040.7438 -2596.5495 921491.4634 -3040.7438 -2596.5495
ENERGY: 198 21224.0060 18800.3005 5711.3574 186.3640 -333385.4998 21161.1533 0.0000 0.0000 43911.2864 -222391.0322 159.7372 -266302.3186 -222090.4393 159.7372 -4381.6810 -2646.7680 921491.4634 -4381.6810 -2646.7680
ENERGY: 199 20113.4048 18634.4039 5710.3429 188.2374 -334151.8588 21182.1777 0.0000 0.0000 45722.9589 -222600.3332 166.3276 -268323.2921 -222093.2752 166.3276 -5152.2287 -2691.5413 921491.4634 -5152.2287 -2691.5413
LDB: ============= START OF LOAD BALANCING ============== 101.529
LDB: Largest compute 200 load 0.426805 is 1.2% of average load 36.681982
LDB: Average compute 0.051380 is 0.1% of average load 36.681982
LDB: TIME 101.531 LOAD: AVG 36.682 MAX 37.7393 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.52 MB
LDB: TIME 101.533 LOAD: AVG 36.682 MAX 37.6847 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.52 MB
LDB: ============== END OF LOAD BALANCING =============== 101.535
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.538
Info: Initial time: 4 CPUs 0.471945 s/step 5.46233 days/ns 3223.21 MB memory
TIMING: 200 CPU: 95.6398, 0.471946/step Wall: 95.6398, 0.471946/step, 0.0393288 hours remaining, 3223.214844 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6837 18595.6349 5711.8747 190.0258 -334670.2812 21209.9247 0.0000 0.0000 45319.1601 -222569.9773 164.8586 -267889.1374 -222114.5246 164.8586 -5241.8526 -2703.6813 921491.4634 -5241.8526 -2703.6813
ENERGY: 201 23380.1031 18674.3332 5716.2802 191.4188 -334751.7132 21239.1340 0.0000 0.0000 43222.4695 -222327.9743 157.2315 -265550.4438 -222100.1080 157.2315 -4546.2005 -2661.1900 921491.4634 -4546.2005 -2661.1900
ENERGY: 202 23622.8117 18850.8449 5722.5980 192.1474 -334305.3007 21243.2752 0.0000 0.0000 42432.5587 -222241.0648 154.3580 -264673.6235 -222096.8292 154.3580 -3005.0518 -2588.0013 921491.4634 -3005.0518 -2588.0013
ENERGY: 203 20743.8945 19130.0390 5729.2400 192.0764 -333501.9373 21215.8254 0.0000 0.0000 44059.6986 -222431.1635 160.2771 -266490.8621 -222093.6428 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6123 19486.9556 5734.1463 191.2124 -332722.2200 21188.8403 0.0000 0.0000 45629.4719 -222628.9812 165.9875 -268258.4531 -222116.7004 165.9875 452.9933 -2462.2930 921491.4634 452.9933 -2462.2930
ENERGY: 205 18189.0790 19868.9414 5735.7153 189.6741 -332398.2551 21197.9186 0.0000 0.0000 44690.7148 -222526.2119 162.5725 -267216.9267 -222099.8063 162.5725 731.8535 -2447.6354 921491.4634 731.8535 -2447.6354
ENERGY: 206 20668.8901 20170.9986 5732.9811 187.6404 -332716.3434 21241.8391 0.0000 0.0000 42439.0583 -222274.9358 154.3816 -264713.9942 -222100.3399 154.3816 -230.6568 -2488.2938 921491.4634 -230.6568 -2488.2938
ENERGY: 207 21693.8031 20338.2891 5726.5434 185.3060 -333603.9792 21289.9001 0.0000 0.0000 42143.6913 -222226.4461 153.3072 -264370.1374 -222103.0934 153.3072 -1896.3478 -2585.9683 921491.4634 -1896.3478 -2585.9683
ENERGY: 208 20293.2702 20371.8904 5718.1572 182.8654 -334789.2376 21322.2410 0.0000 0.0000 44428.6270 -222472.1865 161.6191 -266900.8135 -222122.6314 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -2719.7952
ENERGY: 209 19428.8171 20325.0059 5710.3389 180.5135 -335910.2413 21349.5044 0.0000 0.0000 46273.6800 -222642.3815 168.3309 -268916.0616 -222106.7900 168.3309 -5197.7275 -2836.6306 921491.4634 -5197.7275 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1735 20194.2569 5705.3139 178.4614 -336615.7768 21385.1096 0.0000 0.0000 45251.4333 -222516.0282 164.6123 -267767.4615 -222108.2016 164.6123 -6091.3664 -2896.2627 921491.4634 -6091.3664 -2896.2627
ENERGY: 211 24099.1929 19985.8632 5704.9373 176.9105 -336667.8928 21415.1477 0.0000 0.0000 43031.7284 -222254.1128 156.5376 -265285.8413 -222106.8541 156.5376 -5900.2978 -2885.1010 921491.4634 -5900.2978 -2885.1010
ENERGY: 212 23739.2710 19730.8222 5710.0295 176.0352 -336013.6227 21412.5983 0.0000 0.0000 42995.1638 -222249.7027 156.4046 -265244.8665 -222104.2319 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2159 19524.5248 5720.1722 175.9508 -334874.6443 21380.5552 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2254 -222097.3835 165.2210 -2174.3116 -2725.0840 921491.4634 -2174.3116 -2725.0840
ENERGY: 214 17315.5528 19421.7448 5733.3059 176.6827 -333645.3935 21358.4486 0.0000 0.0000 46958.4703 -222681.1885 170.8220 -269639.6588 -222093.7407 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5055 19441.9743 5746.5772 178.1492 -332787.3321 21379.5596 0.0000 0.0000 45302.6746 -222527.8917 164.7987 -267830.5662 -222091.0447 164.7987 784.0016 -2554.0367 921491.4634 784.0016 -2554.0367
ENERGY: 216 20973.4716 19522.5061 5756.9571 180.1770 -332560.1061 21436.4836 0.0000 0.0000 42442.1788 -222248.3319 154.3930 -264690.5107 -222073.6157 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3866 19581.4820 5762.2416 182.5517 -333010.6759 21497.2706 0.0000 0.0000 41983.6751 -222225.0684 152.7251 -264208.7434 -222064.4466 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9156 19540.0890 5761.2415 184.9927 -333856.1149 21546.6561 0.0000 0.0000 44178.6837 -222478.5362 160.7099 -266657.2199 -222068.8156 160.7099 -2628.0653 -2703.9746 921491.4634 -2628.0653 -2703.9746
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TIMING: 220 CPU: 105.105, 0.473254/step Wall: 105.105, 0.473254/step, 0.0368086 hours remaining, 3223.214844 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 238 19419.4412 19404.0884 5740.6977 175.0128 -333964.3151 21778.9044 0.0000 0.0000 44901.2438 -222544.9269 163.3384 -267446.1707 -222065.9777 163.3384 -987.6013 -2425.5310 921491.4634 -987.6013 -2425.5310
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TIMING: 240 CPU: 114.56, 0.472772/step Wall: 114.56, 0.472772/step, 0.0341447 hours remaining, 3223.214844 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 240 22861.0422 20119.9135 5760.6909 171.4213 -335766.3624 21854.4253 0.0000 0.0000 42641.4775 -222357.3917 155.1180 -264998.8692 -222074.0951 155.1180 -3844.9086 -2568.3896 921491.4634 -3844.9086 -2568.3896
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ENERGY: 242 22110.7716 20111.8209 5758.5348 169.0441 -335904.8194 21831.0568 0.0000 0.0000 43526.8721 -222396.7193 158.3388 -265923.5914 -222063.5734 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3619 19969.6445 5749.3614 168.8705 -335233.7066 21770.4748 0.0000 0.0000 45537.0691 -222575.9243 165.6513 -268112.9934 -222061.6672 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2463 19849.3934 5737.4544 169.6534 -334482.6008 21720.5676 0.0000 0.0000 45629.1663 -222554.1193 165.9864 -268183.2856 -222078.7770 165.9864 -2667.7297 -2573.2149 921491.4634 -2667.7297 -2573.2149
ENERGY: 245 20148.2368 19811.7599 5725.7784 171.4559 -334087.5945 21701.2470 0.0000 0.0000 44168.5248 -222360.5916 160.6730 -266529.1164 -222068.6364 160.6730 -1771.6900 -2533.5454 921491.4634 -1771.6900 -2533.5454
ENERGY: 246 20878.5480 19853.7025 5716.8932 174.1558 -334213.1204 21705.0850 0.0000 0.0000 43600.4183 -222284.3177 158.6063 -265884.7360 -222067.4294 158.6063 -1173.7928 -2523.3912 921491.4634 -1173.7928 -2523.3912
ENERGY: 247 19868.5285 19979.6440 5712.7400 177.5412 -334802.1841 21719.8454 0.0000 0.0000 44912.1914 -222431.6936 163.3782 -267343.8850 -222068.1393 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4924 20164.4297 5713.8450 181.3144 -335623.1354 21746.4310 0.0000 0.0000 46185.9364 -222595.6865 168.0117 -268781.6229 -222090.3127 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9041 20013.1599 5733.2541 193.8023 -336093.2678 21826.9295 0.0000 0.0000 43905.3723 -222425.8456 159.7157 -266331.2179 -222091.3305 159.7157 -3843.4682 -2758.0338 921491.4634 -3843.4682 -2758.0338
ENERGY: 253 19499.8636 19667.1122 5729.5496 195.2411 -334977.1807 21784.0536 0.0000 0.0000 45520.0194 -222581.3411 165.5893 -268101.3606 -222082.7205 165.5893 -3300.1273 -2735.8132 921491.4634 -3300.1273 -2735.8132
ENERGY: 254 19073.0881 19348.2296 5720.5008 195.9622 -333839.8798 21752.6524 0.0000 0.0000 45220.9196 -222528.5271 164.5013 -267749.4467 -222080.4686 164.5013 -2707.1336 -2696.1701 921491.4634 -2707.1336 -2696.1701
ENERGY: 255 20324.2311 19109.4102 5707.6062 196.0620 -333099.9232 21746.1515 0.0000 0.0000 43667.4212 -222349.0410 158.8501 -266016.4622 -222078.3975 158.8501 -2282.5424 -2662.7814 921491.4634 -2282.5424 -2662.7814
ENERGY: 256 20899.4408 18950.9578 5693.4518 195.6570 -332975.5972 21757.6847 0.0000 0.0000 43181.1613 -222297.2438 157.0812 -265478.4051 -222071.2739 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
ENERGY: 257 20029.5651 18878.1873 5681.1759 194.7976 -333481.0039 21780.2419 0.0000 0.0000 44488.5470 -222428.4891 161.8371 -266917.0361 -222060.1683 161.8371 -2035.5361 -2692.1442 921491.4634 -2035.5361 -2692.1442
ENERGY: 258 19453.5866 18882.0666 5673.2911 193.6684 -334373.1545 21817.5077 0.0000 0.0000 45796.2579 -222556.7762 166.5942 -268353.0341 -222062.0608 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 124.007, 0.472335/step Wall: 124.007, 0.472335/step, 0.031489 hours remaining, 3223.519531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 260 22744.9544 19188.2462 5675.1875 191.0393 -336169.7728 21924.7893 0.0000 0.0000 44083.4305 -222362.1255 160.3634 -266445.5560 -222069.6812 160.3634 -3407.4794 -2810.9878 921491.4634 -3407.4794 -2810.9878
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ENERGY: 262 21606.2723 19814.6777 5694.0656 188.7122 -336291.7858 21947.6074 0.0000 0.0000 44601.6347 -222438.8159 162.2485 -267040.4506 -222052.4322 162.2485 -3214.7561 -2810.4637 921491.4634 -3214.7561 -2810.4637
ENERGY: 263 19781.1227 20140.5622 5703.8103 187.9445 -335614.9711 21924.4740 0.0000 0.0000 45349.7771 -222527.2803 164.9700 -267877.0574 -222051.1546 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2260 20436.4306 5710.6950 187.5052 -334855.9509 21907.7772 0.0000 0.0000 44751.4782 -222476.8387 162.7936 -267228.3169 -222069.1982 162.7936 -2191.1926 -2723.5293 921491.4634 -2191.1926 -2723.5293
ENERGY: 265 19946.8415 20681.9926 5713.6241 187.4392 -334395.6630 21906.0163 0.0000 0.0000 43607.6372 -222352.1119 158.6326 -265959.7492 -222054.3370 158.6326 -2038.0572 -2683.6034 921491.4634 -2038.0572 -2683.6034
ENERGY: 266 20048.7897 20788.8701 5712.1327 187.6137 -334399.4575 21914.4805 0.0000 0.0000 43399.3797 -222348.1911 157.8750 -265747.5707 -222054.3633 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0903 20691.2679 5707.0583 187.8501 -334831.4854 21930.8374 0.0000 0.0000 44220.2170 -222446.1645 160.8610 -266666.3814 -222055.6583 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9160 20375.7516 5700.1930 187.9286 -335513.7449 21959.1257 0.0000 0.0000 44823.5378 -222504.2923 163.0557 -267327.8301 -222075.9874 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1934 19450.9167 5690.3173 187.1618 -336650.6775 22028.8071 0.0000 0.0000 44308.0075 -222365.2737 161.1804 -266673.2812 -222067.0433 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
ENERGY: 271 22345.5823 19078.8065 5690.0209 186.1610 -336571.7892 22035.2501 0.0000 0.0000 44829.4473 -222406.5210 163.0772 -267235.9684 -222066.8385 163.0772 -3261.2175 -2569.2622 921491.4634 -3261.2175 -2569.2622
ENERGY: 272 21021.5583 18896.0662 5692.8269 184.9335 -335921.4615 22015.0580 0.0000 0.0000 45607.7078 -222503.3109 165.9083 -268111.0187 -222081.1571 165.9083 -2551.9684 -2501.8805 921491.4634 -2551.9684 -2501.8805
ENERGY: 273 20123.2135 18932.9081 5697.5118 183.8526 -334925.7012 21985.5296 0.0000 0.0000 45502.7161 -222499.9695 165.5264 -268002.6856 -222069.0458 165.5264 -1837.1975 -2434.6760 921491.4634 -1837.1975 -2434.6760
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ENERGY: 276 19401.8500 19594.7508 5701.2547 182.4904 -333292.1281 21971.0410 0.0000 0.0000 44028.5272 -222412.2140 160.1637 -266440.7412 -222072.9395 160.1637 -1580.1300 -2417.6041 921491.4634 -1580.1300 -2417.6041
ENERGY: 277 19149.2970 19724.7160 5695.5210 182.9396 -333864.3453 21997.2387 0.0000 0.0000 44632.8112 -222481.8218 162.3619 -267114.6331 -222061.0988 162.3619 -2311.7544 -2498.0545 921491.4634 -2311.7544 -2498.0545
ENERGY: 278 20199.4575 19713.7759 5686.9122 183.6585 -334821.1003 22041.3359 0.0000 0.0000 44532.2541 -222463.7062 161.9961 -266995.9602 -222063.4131 161.9961 -3254.8156 -2593.7697 921491.4634 -3254.8156 -2593.7697
ENERGY: 279 21984.3649 19593.9430 5677.5176 184.5187 -335888.5800 22096.4199 0.0000 0.0000 43975.0879 -222376.7280 159.9693 -266351.8159 -222065.2024 159.9693 -4044.3213 -2682.8389 921491.4634 -4044.3213 -2682.8389
TIMING: 280 CPU: 133.447, 0.47202/step Wall: 133.447, 0.47202/step, 0.0288457 hours remaining, 3223.519531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 282 20943.7897 19615.5379 5669.9796 186.8360 -336942.5034 22176.7654 0.0000 0.0000 45823.3370 -222526.2577 166.6927 -268349.5948 -222063.3316 166.6927 -2992.3272 -2779.3668 921491.4634 -2992.3272 -2779.3668
ENERGY: 283 20432.1060 19966.6615 5678.8137 187.1634 -336251.9200 22171.0648 0.0000 0.0000 45328.8520 -222487.2587 164.8939 -267816.1106 -222060.8459 164.8939 -2008.7736 -2748.2306 921491.4634 -2008.7736 -2748.2306
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ENERGY: 285 20203.3287 20789.9629 5707.3564 186.7145 -334827.1965 22167.0166 0.0000 0.0000 43418.2630 -222354.5545 157.9437 -265772.8175 -222053.5967 157.9437 -1010.8437 -2700.0819 921491.4634 -1010.8437 -2700.0819
ENERGY: 286 19396.6307 20966.5622 5721.5031 185.8229 -334658.1148 22176.6863 0.0000 0.0000 43785.6882 -222425.2213 159.2803 -266210.9095 -222054.0582 159.2803 -1306.7500 -2717.2846 921491.4634 -1306.7500 -2717.2846
ENERGY: 287 19176.1188 20856.7823 5731.9346 184.4714 -334918.1480 22200.2910 0.0000 0.0000 44282.9439 -222485.6059 161.0892 -266768.5499 -222055.7253 161.0892 -2148.9611 -2753.3343 921491.4634 -2148.9611 -2753.3343
ENERGY: 288 20263.2087 20475.2851 5736.9557 182.7335 -335468.3147 22237.9037 0.0000 0.0000 44116.9905 -222455.2374 160.4855 -266572.2279 -222066.9052 160.4855 -3310.5878 -2790.1553 921491.4634 -3310.5878 -2790.1553
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.802
LDB: Largest compute 200 load 0.520049 is 1.1% of average load 45.696463
LDB: Average compute 0.064004 is 0.1% of average load 45.696463
LDB: TIME 148.804 LOAD: AVG 45.6965 MAX 47.2639 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.72 MB
LDB: TIME 148.805 LOAD: AVG 45.6965 MAX 47.2639 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3223.72 MB
LDB: TIME 148.822 LOAD: AVG 45.6965 MAX 46.2026 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3223.72 MB
LDB: ============== END OF LOAD BALANCING =============== 148.823
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.825
Info: Initial time: 4 CPUs 0.472318 s/step 5.46665 days/ns 3223.72 MB memory
TIMING: 300 CPU: 142.894, 0.472346/step Wall: 142.894, 0.472346/step, 0.0262415 hours remaining, 3223.718750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 320 CPU: 152.118, 0.461189/step Wall: 152.118, 0.461189/step, 0.0230595 hours remaining, 3223.718750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 338 21007.5746 19722.4642 5687.5590 179.5437 -335808.8619 22564.1947 0.0000 0.0000 44285.9168 -222361.6089 161.1000 -266647.5257 -222041.5959 161.1000 -1500.9497 -2462.8575 921491.4634 -1500.9497 -2462.8575
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TIMING: 340 CPU: 161.335, 0.460838/step Wall: 161.335, 0.460838/step, 0.0204817 hours remaining, 3223.718750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 360 CPU: 170.548, 0.46063/step Wall: 170.548, 0.46063/step, 0.0179134 hours remaining, 3223.718750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 364 19323.8974 19612.6013 5699.8913 181.0103 -336175.1999 22790.5194 0.0000 0.0000 46034.3489 -222532.9314 167.4603 -268567.2803 -222068.5919 167.4603 -1420.0424 -2476.3756 921491.4634 -1420.0424 -2476.3756
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 377 20646.4607 20251.1593 5706.5521 182.3248 -335763.5796 22794.3774 0.0000 0.0000 43848.2752 -222334.4300 159.5080 -266182.7052 -222041.4011 159.5080 -1819.5854 -2472.4985 921491.4634 -1819.5854 -2472.4985
ENERGY: 378 20473.8098 20495.6594 5711.4639 183.2952 -336584.2273 22821.5838 0.0000 0.0000 44474.7533 -222423.6619 161.7869 -266898.4152 -222044.3965 161.7869 -2972.9871 -2523.3498 921491.4634 -2972.9871 -2523.3498
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TIMING: 380 CPU: 179.753, 0.460271/step Wall: 179.753, 0.460271/step, 0.0153424 hours remaining, 3223.718750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 384 19625.4112 19596.0353 5710.5349 179.0647 -336052.0483 22884.2534 0.0000 0.0000 45539.1830 -222517.5658 165.6590 -268056.7488 -222062.0925 165.6590 -569.2379 -2166.9358 921491.4634 -569.2379 -2166.9358
ENERGY: 385 19327.8179 19356.8911 5707.7751 177.4354 -335210.6397 22871.6143 0.0000 0.0000 45299.7169 -222469.3889 164.7879 -267769.1058 -222051.0993 164.7879 215.3516 -2064.3636 921491.4634 215.3516 -2064.3636
ENERGY: 386 19981.2271 19220.9464 5707.6638 175.9385 -334865.1814 22880.7957 0.0000 0.0000 44519.8584 -222378.7516 161.9510 -266898.6100 -222051.0437 161.9510 122.6671 -2011.2428 921491.4634 122.6671 -2011.2428
ENERGY: 387 20367.2858 19202.4845 5710.9354 174.6759 -335109.8723 22905.2743 0.0000 0.0000 44377.1814 -222372.0349 161.4320 -266749.2163 -222053.0050 161.4320 -738.9583 -2019.1689 921491.4634 -738.9583 -2019.1689
ENERGY: 388 20282.3986 19280.0168 5717.2934 173.7038 -335824.1518 22938.2900 0.0000 0.0000 44972.7760 -222459.6732 163.5986 -267432.4492 -222067.4818 163.5986 -2063.8554 -2076.2822 921491.4634 -2063.8554 -2076.2822
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 397 19906.7782 20200.7711 5721.4919 176.2273 -336102.8171 22990.0372 0.0000 0.0000 44712.8673 -222394.6441 162.6531 -267107.5114 -222042.6599 162.6531 -376.0861 -2327.2102 921491.4634 -376.0861 -2327.2102
ENERGY: 398 19692.8115 20133.3592 5716.9814 176.0456 -336812.3374 23014.0582 0.0000 0.0000 45592.7321 -222486.3496 165.8538 -268079.0817 -222045.7222 165.8538 -1710.2236 -2443.6966 921491.4634 -1710.2236 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 194.898
LDB: Largest compute 230 load 0.526443 is 1.2% of average load 45.693963
LDB: Average compute 0.063999 is 0.1% of average load 45.693963
LDB: TIME 194.9 LOAD: AVG 45.694 MAX 46.0732 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.72 MB
LDB: TIME 194.9 LOAD: AVG 45.694 MAX 46.0732 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3223.72 MB
LDB: TIME 194.9 LOAD: AVG 45.694 MAX 46.0732 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3223.72 MB
LDB: ============== END OF LOAD BALANCING =============== 194.901
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.902
Info: Benchmark time: 4 CPUs 0.46067 s/step 5.33183 days/ns 3223.72 MB memory
TIMING: 400 CPU: 188.965, 0.460626/step Wall: 188.965, 0.460626/step, 0.0127952 hours remaining, 3223.718750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 403 20784.9695 19778.4825 5715.7218 174.2695 -337239.9777 23077.8398 0.0000 0.0000 45225.5964 -222483.0982 164.5183 -267708.6946 -222046.6852 164.5183 -3613.5980 -2605.7429 921491.4634 -3613.5980 -2605.7429
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ENERGY: 408 19735.8469 19387.6645 5692.2152 187.5226 -335902.8216 23017.8168 0.0000 0.0000 45394.4124 -222487.3432 165.1324 -267881.7556 -222063.5311 165.1324 -920.8282 -2294.1557 921491.4634 -920.8282 -2294.1557
ENERGY: 409 20350.1188 19376.4609 5688.4775 191.1593 -336896.6846 23057.9917 0.0000 0.0000 45733.6061 -222498.8703 166.3663 -268232.4764 -222051.6704 166.3663 -2367.4922 -2346.9327 921491.4634 -2367.4922 -2346.9327
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 413 21130.1417 20138.5249 5699.9334 199.7191 -337872.5319 23125.1111 0.0000 0.0000 45113.2146 -222465.8870 164.1095 -267579.1016 -222055.3454 164.1095 -3850.6271 -2398.9550 921491.4634 -3850.6271 -2398.9550
ENERGY: 414 19987.3856 20381.5506 5705.1135 199.5118 -337122.7796 23094.4553 0.0000 0.0000 45271.6530 -222483.1098 164.6858 -267754.7628 -222052.1624 164.6858 -2501.3243 -2333.9465 921491.4634 -2501.3243 -2333.9465
ENERGY: 415 19745.2665 20572.1259 5708.7452 198.1487 -336456.1969 23071.1986 0.0000 0.0000 44733.2275 -222427.4845 162.7272 -267160.7120 -222049.0347 162.7272 -1174.6452 -2266.5617 921491.4634 -1174.6452 -2266.5617
ENERGY: 416 19942.3167 20661.9896 5710.0857 195.6954 -336157.5855 23063.1710 0.0000 0.0000 44200.2852 -222384.0420 160.7885 -266584.3272 -222052.9643 160.7885 -282.7613 -2224.6898 921491.4634 -282.7613 -2224.6898
ENERGY: 417 20031.3747 20631.3209 5709.0494 192.4696 -336373.1069 23072.1094 0.0000 0.0000 44338.4621 -222398.3208 161.2911 -266736.7829 -222044.6992 161.2911 -112.4552 -2227.1700 921491.4634 -112.4552 -2227.1700
ENERGY: 418 20154.6646 20457.0908 5705.5847 188.6536 -336970.7861 23098.6722 0.0000 0.0000 44915.1424 -222450.9777 163.3889 -267366.1201 -222046.7092 163.3889 -671.8546 -2269.9922 921491.4634 -671.8546 -2269.9922
ENERGY: 419 20790.7631 20185.5523 5700.4810 184.6054 -337717.8751 23139.8019 0.0000 0.0000 45250.3102 -222466.3612 164.6082 -267716.6714 -222049.5949 164.6082 -1783.9423 -2336.6465 921491.4634 -1783.9423 -2336.6465
TIMING: 420 CPU: 198.151, 0.459258/step Wall: 198.151, 0.459258/step, 0.0102057 hours remaining, 3223.718750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 423 21418.8986 19324.4272 5689.6736 172.2145 -337416.8953 23180.6037 0.0000 0.0000 45183.9715 -222447.1061 164.3669 -267631.0776 -222051.5230 164.3669 -3955.8307 -2434.9305 921491.4634 -3955.8307 -2434.9305
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ENERGY: 427 19598.5313 19595.2902 5707.1504 168.7509 -335498.4322 23074.5005 0.0000 0.0000 44915.2776 -222438.9313 163.3894 -267354.2088 -222048.7340 163.3894 -741.9008 -2207.6355 921491.4634 -741.9008 -2207.6355
ENERGY: 428 20140.4227 19760.4175 5710.4628 168.5259 -336199.9855 23087.7676 0.0000 0.0000 44884.2594 -222448.1297 163.2766 -267332.3890 -222058.0549 163.2766 -935.5731 -2206.9584 921491.4634 -935.5731 -2206.9584
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9874 20024.3742 5712.1700 168.1897 -338096.9208 23149.4492 0.0000 0.0000 44626.3097 -222402.4406 162.3382 -267028.7503 -222047.3915 162.3382 -2472.2457 -2268.0465 921491.4634 -2472.2457 -2268.0465
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ENERGY: 432 21768.3704 20188.6727 5710.3547 168.1086 -338651.2102 23176.0846 0.0000 0.0000 45177.9908 -222461.6285 164.3451 -267639.6192 -222065.9058 164.3451 -3350.2743 -2296.1498 921491.4634 -3350.2743 -2296.1498
ENERGY: 433 21200.9072 20275.9666 5710.3763 168.4633 -338164.0636 23162.2911 0.0000 0.0000 45192.9281 -222453.1310 164.3995 -267646.0591 -222052.5981 164.3995 -3187.3734 -2272.1276 921491.4634 -3187.3734 -2272.1276
ENERGY: 434 20730.3412 20338.1501 5711.6061 169.3247 -337394.2701 23140.7736 0.0000 0.0000 44883.0994 -222420.9751 163.2724 -267304.0745 -222051.1462 163.2724 -2694.3108 -2227.7885 921491.4634 -2694.3108 -2227.7885
ENERGY: 435 20235.2199 20362.4015 5714.0003 170.8455 -336680.6551 23123.4098 0.0000 0.0000 44675.9837 -222398.7944 162.5189 -267074.7780 -222049.5888 162.5189 -2061.3581 -2179.8951 921491.4634 -2061.3581 -2179.8951
ENERGY: 436 19670.9240 20349.9981 5717.2345 173.0864 -336303.8808 23119.9079 0.0000 0.0000 44847.0982 -222425.6317 163.1414 -267272.7299 -222059.6959 163.1414 -1520.6597 -2145.1617 921491.4634 -1520.6597 -2145.1617
ENERGY: 437 19434.5514 20329.5092 5720.9893 175.9827 -336411.9782 23136.3869 0.0000 0.0000 45159.2686 -222455.2901 164.2770 -267614.5587 -222050.7503 164.2770 -1319.1167 -2134.4848 921491.4634 -1319.1167 -2134.4848
ENERGY: 438 19935.1532 20278.6095 5724.6884 179.3848 -336899.4576 23173.5521 0.0000 0.0000 45148.1323 -222459.9373 164.2365 -267608.0696 -222051.5668 164.2365 -1493.0941 -2145.0881 921491.4634 -1493.0941 -2145.0881
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TIMING: 440 CPU: 207.333, 0.459138/step Wall: 207.333, 0.459138/step, 0.00765229 hours remaining, 3223.718750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5685 20036.2372 5729.7527 186.7201 -338123.1809 23276.2488 0.0000 0.0000 44417.5460 -222405.1077 161.5788 -266822.6536 -222059.4770 161.5788 -2408.4612 -2197.9670 921491.4634 -2408.4612 -2197.9670
ENERGY: 441 22355.5487 19860.0410 5730.3488 190.1145 -338361.1720 23313.2047 0.0000 0.0000 44502.6966 -222409.2176 161.8886 -266911.9142 -222050.0857 161.8886 -2716.1028 -2221.5312 921491.4634 -2716.1028 -2221.5312
ENERGY: 442 21853.6119 19664.5351 5729.4854 192.9411 -338090.1539 23327.1571 0.0000 0.0000 44880.6322 -222441.7911 163.2634 -267322.4232 -222049.7753 163.2634 -2710.5576 -2229.0695 921491.4634 -2710.5576 -2229.0695
ENERGY: 443 21064.3317 19487.0725 5727.6164 194.9329 -337369.3156 23320.0161 0.0000 0.0000 45118.1108 -222457.2351 164.1273 -267575.3459 -222048.5993 164.1273 -2448.1648 -2220.3529 921491.4634 -2448.1648 -2220.3529
ENERGY: 444 20449.3364 19357.2692 5725.4095 195.8735 -336464.1931 23301.5280 0.0000 0.0000 44987.7178 -222447.0588 163.6530 -267434.7766 -222057.9798 163.6530 -2090.2099 -2206.4398 921491.4634 -2090.2099 -2206.4398
ENERGY: 445 20125.5607 19307.2520 5723.6513 195.6942 -335759.3923 23283.8142 0.0000 0.0000 44708.7157 -222414.7042 162.6380 -267123.4198 -222046.5428 162.6380 -1846.9625 -2201.6925 921491.4634 -1846.9625 -2201.6925
ENERGY: 446 19947.6803 19324.9007 5722.5430 194.3235 -335494.5717 23276.0455 0.0000 0.0000 44620.2948 -222408.7839 162.3164 -267029.0787 -222046.1621 162.3164 -1800.7515 -2216.7292 921491.4634 -1800.7515 -2216.7292
ENERGY: 447 19914.2847 19416.0211 5722.2107 191.8641 -335769.4409 23282.7462 0.0000 0.0000 44816.5090 -222425.8050 163.0301 -267242.3140 -222046.8343 163.0301 -1993.3109 -2253.0602 921491.4634 -1993.3109 -2253.0602
ENERGY: 448 20187.5922 19583.6800 5722.5765 188.5554 -336503.1809 23303.8908 0.0000 0.0000 45065.6675 -222451.2185 163.9365 -267516.8860 -222059.3481 163.9365 -2372.1876 -2303.7897 921491.4634 -2372.1876 -2303.7897
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4854 20108.1300 5724.4776 181.0898 -338419.3259 23364.6247 0.0000 0.0000 44854.3098 -222432.2086 163.1677 -267286.5184 -222048.7861 163.1677 -3116.6755 -2394.3894 921491.4634 -3116.6755 -2394.3894
ENERGY: 451 22355.5902 20357.7255 5724.7144 177.6517 -338952.0918 23381.8012 0.0000 0.0000 44542.6988 -222411.9100 162.0341 -266954.6088 -222048.8246 162.0341 -3074.2532 -2405.7796 921491.4634 -3074.2532 -2405.7796
ENERGY: 452 22246.2016 20536.0134 5723.8953 174.8859 -338927.1547 23378.0949 0.0000 0.0000 44452.9196 -222415.1440 161.7075 -266868.0636 -222059.6370 161.7075 -2659.9605 -2384.7567 921491.4634 -2659.9605 -2384.7567
ENERGY: 453 21399.8728 20641.1311 5722.2878 173.1350 -338392.7943 23354.5913 0.0000 0.0000 44683.7033 -222418.0730 162.5470 -267101.7763 -222043.5371 162.5470 -2048.3338 -2342.4666 921491.4634 -2048.3338 -2342.4666
ENERGY: 454 20248.3382 20654.1374 5720.2217 172.3637 -337567.1423 23320.6907 0.0000 0.0000 45008.1465 -222443.2441 163.7273 -267451.3906 -222041.8391 163.7273 -1453.4578 -2293.1448 921491.4634 -1453.4578 -2293.1448
ENERGY: 455 19486.7906 20584.7120 5718.4844 172.5169 -336790.6461 23290.4029 0.0000 0.0000 45086.5789 -222451.1603 164.0126 -267537.7392 -222040.8570 164.0126 -1151.8822 -2255.8570 921491.4634 -1151.8822 -2255.8570
ENERGY: 456 19493.3720 20440.6800 5717.7556 173.4248 -336350.1084 23274.9638 0.0000 0.0000 44811.4727 -222438.4396 163.0118 -267249.9123 -222055.3486 163.0118 -1305.5001 -2245.5821 921491.4634 -1305.5001 -2245.5821
ENERGY: 457 20047.4928 20251.9434 5718.5580 174.9241 -336395.8173 23277.8281 0.0000 0.0000 44521.8707 -222403.2003 161.9583 -266925.0710 -222049.4133 161.9583 -1906.4162 -2263.5011 921491.4634 -1906.4162 -2263.5011
ENERGY: 458 20585.8435 20019.2722 5720.7061 176.6081 -336835.0968 23294.7179 0.0000 0.0000 44632.7891 -222405.1600 162.3618 -267037.9490 -222051.2823 162.3618 -2684.6985 -2301.0425 921491.4634 -2684.6985 -2301.0425
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TIMING: 460 CPU: 216.519, 0.459298/step Wall: 216.519, 0.459298/step, 0.00510331 hours remaining, 3223.718750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6139 19597.9064 5728.0971 179.4910 -338014.3777 23341.8008 0.0000 0.0000 45423.8569 -222480.6115 165.2395 -267904.4685 -222064.6835 165.2395 -3669.8201 -2365.2411 921491.4634 -3669.8201 -2365.2411
ENERGY: 461 21862.8764 19507.1077 5732.5753 180.4333 -338251.6227 23355.3942 0.0000 0.0000 45154.6141 -222458.6218 164.2601 -267613.2359 -222058.0506 164.2601 -3556.1666 -2361.1798 921491.4634 -3556.1666 -2361.1798
ENERGY: 462 22264.2258 19487.8112 5736.4822 180.9531 -337988.7182 23351.1093 0.0000 0.0000 44559.9292 -222408.2073 162.0968 -266968.1365 -222056.7213 162.0968 -2954.8201 -2323.4250 921491.4634 -2954.8201 -2323.4250
ENERGY: 463 21821.1794 19513.9020 5738.9361 181.1160 -337284.1040 23326.9484 0.0000 0.0000 44313.4570 -222388.5651 161.2002 -266702.0221 -222054.6241 161.2002 -2012.4424 -2264.0777 921491.4634 -2012.4424 -2264.0777
ENERGY: 464 20535.2461 19559.9278 5739.2518 181.0096 -336389.3851 23291.1948 0.0000 0.0000 44654.0266 -222428.7284 162.4391 -267082.7550 -222058.5729 162.4391 -1050.9226 -2205.5267 921491.4634 -1050.9226 -2205.5267
ENERGY: 465 19322.7826 19631.8860 5737.2899 180.7155 -335701.1543 23259.7397 0.0000 0.0000 45094.5687 -222474.1719 164.0416 -267568.7407 -222052.9388 164.0416 -512.3345 -2174.4007 921491.4634 -512.3345 -2174.4007
ENERGY: 466 19088.4508 19708.3586 5733.2107 180.2808 -335443.7733 23245.0610 0.0000 0.0000 45020.7907 -222467.6206 163.7733 -267488.4114 -222052.9785 163.7733 -630.3311 -2182.6709 921491.4634 -630.3311 -2182.6709
ENERGY: 467 19841.8068 19783.1747 5727.6704 179.7757 -335721.0957 23249.4535 0.0000 0.0000 44523.6664 -222415.5482 161.9649 -266939.2146 -222054.3494 161.9649 -1393.6027 -2232.5923 921491.4634 -1393.6027 -2232.5923
ENERGY: 468 20761.8481 19845.4945 5721.5090 179.2779 -336451.5668 23265.8131 0.0000 0.0000 44291.6584 -222385.9659 161.1209 -266677.6243 -222056.3587 161.1209 -2508.6712 -2314.1339 921491.4634 -2508.6712 -2314.1339
ENERGY: 469 21236.3015 19910.2023 5715.6824 178.8504 -337458.3204 23284.3967 0.0000 0.0000 44720.3202 -222412.5669 162.6802 -267132.8871 -222046.0747 162.6802 -3596.7404 -2405.7971 921491.4634 -3596.7404 -2405.7971
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1730 19972.8935 5710.9491 178.5947 -338383.2509 23297.0678 0.0000 0.0000 45346.4575 -222466.1153 164.9579 -267812.5728 -222047.6085 164.9579 -4259.6995 -2477.6830 921491.4634 -4259.6995 -2477.6830
ENERGY: 471 21732.8678 20054.6835 5707.9626 178.5890 -338913.2454 23297.5091 0.0000 0.0000 45471.3366 -222470.2967 165.4122 -267941.6333 -222047.5356 165.4122 -4290.5684 -2504.3174 921491.4634 -4290.5684 -2504.3174
ENERGY: 472 22081.2363 20161.5550 5707.0091 178.9047 -338870.6771 23279.4497 0.0000 0.0000 45028.5295 -222433.9928 163.8014 -267462.5223 -222059.5057 163.8014 -3659.7361 -2479.9183 921491.4634 -3659.7361 -2479.9183
ENERGY: 473 21866.1364 20289.3423 5707.9843 179.6165 -338307.7194 23240.7369 0.0000 0.0000 44634.5172 -222389.3858 162.3681 -267023.9030 -222043.8538 162.3681 -2556.3616 -2408.1656 921491.4634 -2556.3616 -2408.1656
ENERGY: 474 20842.9703 20372.0982 5710.2160 180.7467 -337438.4554 23189.2354 0.0000 0.0000 44733.2307 -222409.9581 162.7272 -267143.1888 -222041.2619 162.7272 -1295.5524 -2316.2727 921491.4634 -1295.5524 -2316.2727
ENERGY: 475 19674.2077 20371.7669 5712.9876 182.2512 -336604.2314 23142.3823 0.0000 0.0000 45070.2141 -222450.4215 163.9531 -267520.6356 -222039.4529 163.9531 -344.6447 -2232.2125 921491.4634 -344.6447 -2232.2125
ENERGY: 476 19235.7860 20282.0270 5715.7683 184.0125 -336100.0906 23115.8472 0.0000 0.0000 45106.0635 -222460.5860 164.0835 -267566.6496 -222053.6137 164.0835 -92.4047 -2183.0652 921491.4634 -92.4047 -2183.0652
ENERGY: 477 19704.7250 20145.9810 5718.4976 185.9230 -336101.8794 23114.2945 0.0000 0.0000 44812.3209 -222420.1373 163.0149 -267232.4582 -222044.8410 163.0149 -667.4944 -2171.8228 921491.4634 -667.4944 -2171.8228
ENERGY: 478 20493.4778 19974.7636 5721.0254 187.7262 -336537.4043 23131.2466 0.0000 0.0000 44627.0333 -222402.1313 162.3409 -267029.1647 -222047.4106 162.3409 -1807.1603 -2198.7956 921491.4634 -1807.1603 -2198.7956
ENERGY: 479 21125.3059 19793.3956 5723.3295 189.2099 -337215.5848 23156.6777 0.0000 0.0000 44802.1580 -222425.5082 162.9779 -267227.6662 -222050.5459 162.9779 -3089.8515 -2246.7917 921491.4634 -3089.8515 -2246.7917
TIMING: 480 CPU: 225.71, 0.459528/step Wall: 225.71, 0.459528/step, 0.00255293 hours remaining, 3223.718750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0328 19623.1966 5725.3111 190.1901 -337854.6799 23181.5123 0.0000 0.0000 45051.6818 -222458.7552 163.8856 -267510.4370 -222064.6212 163.8856 -4077.7327 -2291.4892 921491.4634 -4077.7327 -2291.4892
ENERGY: 481 22092.4856 19510.0437 5727.0952 190.6351 -338199.2496 23196.7964 0.0000 0.0000 45041.3371 -222440.8565 163.8480 -267482.1936 -222052.5268 163.8480 -4466.2396 -2305.6733 921491.4634 -4466.2396 -2305.6733
ENERGY: 482 22186.3471 19466.6799 5728.4964 190.3598 -338044.5434 23192.7479 0.0000 0.0000 44865.8521 -222414.0602 163.2096 -267279.9124 -222051.4115 163.2096 -4059.3100 -2278.0616 921491.4634 -4059.3100 -2278.0616
ENERGY: 483 21553.1415 19511.5750 5729.5660 189.3227 -337426.2200 23165.8745 0.0000 0.0000 44861.8971 -222414.8432 163.1953 -267276.7403 -222048.7674 163.1953 -2964.1724 -2216.4117 921491.4634 -2964.1724 -2216.4117
ENERGY: 484 20460.8925 19631.1944 5730.2465 187.5455 -336590.8894 23126.1356 0.0000 0.0000 45003.6036 -222451.2715 163.7107 -267454.8750 -222059.8740 163.7107 -1565.2423 -2143.1848 921491.4634 -1565.2423 -2143.1848
ENERGY: 485 19688.7718 19800.2995 5730.5256 185.2458 -335902.5874 23092.8474 0.0000 0.0000 44955.5730 -222449.3244 163.5360 -267404.8974 -222045.9604 163.5360 -422.1567 -2086.8734 921491.4634 -422.1567 -2086.8734
ENERGY: 486 19602.5424 19954.8179 5729.7198 182.4662 -335612.3575 23080.3811 0.0000 0.0000 44645.9121 -222416.5179 162.4096 -267062.4300 -222044.6758 162.4096 87.3184 -2070.0981 921491.4634 87.3184 -2070.0981
ENERGY: 487 19881.0925 20072.0215 5727.4347 179.4360 -335846.4488 23091.0548 0.0000 0.0000 44503.3497 -222392.0597 161.8910 -266895.4094 -222045.2405 161.8910 -192.2343 -2106.8839 921491.4634 -192.2343 -2106.8839
ENERGY: 488 20125.2098 20156.1362 5723.5441 176.4338 -336552.5460 23118.8620 0.0000 0.0000 44827.0561 -222425.3040 163.0685 -267252.3601 -222057.1938 163.0685 -1145.7531 -2194.6678 921491.4634 -1145.7531 -2194.6678
ENERGY: 489 20526.8870 20236.4609 5718.5748 173.8639 -337540.4663 23156.7313 0.0000 0.0000 45266.1010 -222461.8473 164.6656 -267727.9483 -222045.6085 164.6656 -2511.2402 -2316.7065 921491.4634 -2511.2402 -2316.7065
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7488 20292.9021 5712.8912 171.8438 -338458.1369 23196.4881 0.0000 0.0000 45213.5636 -222459.6993 164.4745 -267673.2629 -222048.2207 164.4745 -3823.4037 -2437.4153 921491.4634 -3823.4037 -2437.4153
ENERGY: 491 22430.4641 20312.1359 5707.3795 170.5404 -338984.5802 23226.0940 0.0000 0.0000 44733.0095 -222404.9568 162.7264 -267137.9663 -222049.4637 162.7264 -4629.6934 -2524.6213 921491.4634 -4629.6934 -2524.6213
ENERGY: 492 22612.9551 20289.6809 5702.9944 170.0208 -338937.5824 23232.7208 0.0000 0.0000 44542.1954 -222387.0149 162.0323 -266929.2104 -222060.3859 162.0323 -4606.8525 -2557.4728 921491.4634 -4606.8525 -2557.4728
ENERGY: 493 21558.2191 20260.7372 5700.7779 170.3201 -338358.0641 23214.0540 0.0000 0.0000 45033.8234 -222420.1325 163.8207 -267453.9558 -222046.5899 163.8207 -3796.3819 -2540.0995 921491.4634 -3796.3819 -2540.0995
ENERGY: 494 20068.3367 20225.0259 5700.9805 171.2193 -337454.3842 23183.0798 0.0000 0.0000 45622.2481 -222483.4938 165.9612 -268105.7419 -222044.0866 165.9612 -2500.8992 -2482.1067 921491.4634 -2500.8992 -2482.1067
ENERGY: 495 19383.2461 20186.8299 5703.5926 172.5416 -336566.9893 23159.4628 0.0000 0.0000 45484.1238 -222477.1924 165.4587 -267961.3162 -222041.5562 165.4587 -1249.6836 -2407.3054 921491.4634 -1249.6836 -2407.3054
ENERGY: 496 19722.4833 20130.6472 5708.0350 174.0933 -335998.7160 23154.2639 0.0000 0.0000 44699.5276 -222409.6657 162.6046 -267109.1933 -222049.0667 162.6046 -478.8995 -2343.4749 921491.4634 -478.8995 -2343.4749
ENERGY: 497 20212.6667 20059.9177 5713.4613 175.7242 -335952.5047 23166.3548 0.0000 0.0000 44261.0292 -222363.3508 161.0095 -266624.3800 -222042.7498 161.0095 -421.0229 -2316.7926 921491.4634 -421.0229 -2316.7926
ENERGY: 498 20182.0164 19957.1218 5718.5596 177.2604 -336366.4939 23189.3588 0.0000 0.0000 44728.2538 -222413.9231 162.7091 -267142.1768 -222044.5217 162.7091 -993.4676 -2331.6471 921491.4634 -993.4676 -2331.6471
ENERGY: 499 20158.0677 19847.7313 5722.4089 178.6361 -337058.4831 23219.2406 0.0000 0.0000 45439.2647 -222493.1337 165.2956 -267932.3984 -222047.2060 165.2956 -2020.8685 -2376.3389 921491.4634 -2020.8685 -2376.3389
Info: Benchmark time: 4 CPUs 0.458455 s/step 5.30619 days/ns 3223.72 MB memory
TIMING: 500 CPU: 234.811, 0.455061/step Wall: 234.811, 0.455061/step, 0 hours remaining, 3223.718750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8936 19756.6590 5724.4523 179.8271 -337741.4202 23251.1011 0.0000 0.0000 45359.0780 -222495.4091 165.0039 -267854.4871 -222061.0909 165.0039 -3197.5167 -2425.4142 921491.4634 -3197.5167 -2425.4142
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.168 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.168 MB of memory in use
====================================================
WallClock: 241.639099 CPUTime: 241.639099 Memory: 3229.167969 MB
[Partition 0][Node 0] End of program
Application 88769724 resources: utime ~949s, stime ~19s, Rss ~126456, inblocks ~67176, outblocks ~72238
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins6803101298699111178.sh
+ scp BW_REMOTE_4:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_4:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_4:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/memory
Finished: SUCCESS
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