Skipping 716 KB..
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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 ============== 54.3488
LDB: Largest compute 200 load 0.430205 is 1.2% of average load 36.843059
LDB: Average compute 0.051612 is 0.1% of average load 36.843059
LDB: Partitioning computes with target load 3.684306
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055292
LDB: ============== END OF LOAD BALANCING =============== 54.351
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.3519
Info: Initial time: 4 CPUs 0.474569 s/step 5.4927 days/ns 3221.54 MB memory
TIMING: 100 CPU: 48.4288, 0.473599/step Wall: 48.4287, 0.473599/step, 0.0526221 hours remaining, 3221.535156 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 ============== 63.8024
LDB: ============== END OF LOAD BALANCING =============== 63.8025
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.803
TIMING: 120 CPU: 57.8774, 0.472432/step Wall: 57.8774, 0.472432/step, 0.0498678 hours remaining, 3221.664062 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 19195.4801 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9638 -222340.8739 155.6399 -265125.8378 -222213.1816 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.3224, 0.47225/step Wall: 67.3224, 0.47225/step, 0.047225 hours remaining, 3221.949219 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: 140 20992.5976 17997.1578 5722.1741 192.2140 -333726.9442 21127.4061 0.0000 0.0000 45144.2513 -222551.1434 164.2224 -267695.3947 -222224.0362 164.2224 -5617.7626 -3080.3638 921491.4634 -5617.7626 -3080.3638
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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 21015.8992 19956.3835 5767.3089 192.0924 -334899.3753 20845.5771 0.0000 0.0000 44606.5897 -222515.5245 162.2665 -267122.1142 -222153.2666 162.2665 -4472.9373 -2881.9211 921491.4634 -4472.9373 -2881.9211
ENERGY: 151 20656.1099 20586.9276 5763.7530 189.5631 -335303.4336 20835.7247 0.0000 0.0000 44710.6379 -222560.7175 162.6450 -267271.3554 -222155.1379 162.6450 -5407.8405 -2907.6331 921491.4634 -5407.8405 -2907.6331
ENERGY: 152 21757.0223 21203.4202 5761.8055 186.4838 -335072.1087 20820.7501 0.0000 0.0000 42914.6705 -222427.9564 156.1118 -265342.6268 -222175.0515 156.1118 -5552.0271 -2878.0876 921491.4634 -5552.0271 -2878.0876
ENERGY: 153 22396.4537 21618.6021 5761.5688 183.0547 -334307.6859 20787.1624 0.0000 0.0000 41296.2810 -222264.5632 150.2245 -263560.8441 -222152.0204 150.2245 -4765.4776 -2800.4122 921491.4634 -4765.4776 -2800.4122
ENERGY: 154 20952.1343 21640.3345 5761.9239 179.5647 -333344.9134 20735.3659 0.0000 0.0000 41746.1291 -222329.4608 151.8609 -264075.5900 -222148.7915 151.8609 -3178.1874 -2707.3606 921491.4634 -3178.1874 -2707.3606
ENERGY: 155 18734.5491 21249.5939 5761.4993 176.3183 -332564.0954 20691.4723 0.0000 0.0000 43448.4574 -222502.2051 158.0535 -265950.6625 -222145.9854 158.0535 -1408.3064 -2623.9032 921491.4634 -1408.3064 -2623.9032
ENERGY: 156 18312.4484 20599.9072 5758.8570 173.6449 -332218.9145 20684.3829 0.0000 0.0000 44137.5522 -222552.1218 160.5603 -266689.6741 -222166.8047 160.5603 -219.5096 -2571.5313 921491.4634 -219.5096 -2571.5313
ENERGY: 157 20043.0838 19943.2665 5753.0947 171.8900 -332363.0657 20715.7864 0.0000 0.0000 43325.6934 -222410.2510 157.6070 -265735.9443 -222155.5008 157.6070 -38.8544 -2554.7665 921491.4634 -38.8544 -2554.7665
ENERGY: 158 21695.0847 19425.3238 5743.5667 171.3409 -332829.8100 20761.5805 0.0000 0.0000 42713.6820 -222319.2315 155.3806 -265032.9134 -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 43483.6004 -222408.5912 158.1814 -265892.1916 -222160.0969 158.1814 -1882.1013 -2660.7875 921491.4634 -1882.1013 -2660.7875
TIMING: 160 CPU: 76.7554, 0.47165/step Wall: 76.7554, 0.47165/step, 0.0445447 hours remaining, 3222.082031 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 21093.2842 18859.3046 5717.0749 174.4916 -333735.9152 20833.5471 0.0000 0.0000 44515.8596 -222542.3532 161.9365 -267058.2129 -222175.6786 161.9365 -3202.8705 -2752.7604 921491.4634 -3202.8705 -2752.7604
ENERGY: 161 21561.6001 18685.5960 5704.9782 178.2042 -333710.7595 20865.7132 0.0000 0.0000 44220.7113 -222493.9566 160.8628 -266714.6679 -222160.9737 160.8628 -4385.1101 -2823.4851 921491.4634 -4385.1101 -2823.4851
ENERGY: 162 22512.8125 18508.1493 5697.2826 183.0024 -333202.6495 20887.8856 0.0000 0.0000 43070.6067 -222342.9103 156.6790 -265413.5170 -222161.4906 156.6790 -5004.1554 -2859.8871 921491.4634 -5004.1554 -2859.8871
ENERGY: 163 21937.9852 18346.8658 5696.1509 188.4544 -332368.8223 20884.6195 0.0000 0.0000 43005.6961 -222309.0504 156.4429 -265314.7465 -222160.7800 156.4429 -4776.8219 -2868.7270 921491.4634 -4776.8219 -2868.7270
ENERGY: 164 19652.8066 18261.0401 5702.5306 194.0206 -331567.4470 20861.9109 0.0000 0.0000 44426.5344 -222468.6038 161.6115 -266895.1382 -222170.9033 161.6115 -3836.1732 -2870.4449 921491.4634 -3836.1732 -2870.4449
ENERGY: 165 18074.0951 18343.8151 5716.1638 199.2019 -331183.0466 20849.6742 0.0000 0.0000 45425.8565 -222574.2400 165.2468 -268000.0964 -222153.1697 165.2468 -2737.5185 -2867.1446 921491.4634 -2737.5185 -2867.1446
ENERGY: 166 18979.7069 18650.1654 5734.9735 203.3281 -331407.1002 20870.8939 0.0000 0.0000 44483.6890 -222484.3434 161.8194 -266968.0324 -222151.2326 161.8194 -1964.3636 -2870.3839 921491.4634 -1964.3636 -2870.3839
ENERGY: 167 21026.8307 19216.2867 5755.9248 205.8794 -332212.1860 20917.6388 0.0000 0.0000 42775.8062 -222313.8194 155.6066 -265089.6256 -222150.5297 155.6066 -1671.2499 -2889.5868 921491.4634 -1671.2499 -2889.5868
ENERGY: 168 21619.4181 19999.6889 5775.3367 206.4584 -333382.4925 20963.4338 0.0000 0.0000 42492.3351 -222325.8215 154.5754 -264818.1566 -222149.7706 154.5754 -1735.9904 -2933.5976 921491.4634 -1735.9904 -2933.5976
ENERGY: 169 20648.4664 20870.4068 5789.9166 204.9287 -334596.5069 20994.5722 0.0000 0.0000 43600.1911 -222488.0250 158.6055 -266088.2161 -222133.5314 158.6055 -2095.8776 -2988.7947 921491.4634 -2095.8776 -2988.7947
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 170 20485.0013 21574.3800 5797.0542 201.1981 -335480.2500 21017.8094 0.0000 0.0000 43834.2690 -222570.5381 159.4570 -266404.8070 -222135.2419 159.4570 -2696.1967 -3030.4960 921491.4634 -2696.1967 -3030.4960
ENERGY: 171 22225.3642 21884.1725 5796.1347 195.5169 -335757.0013 21036.7488 0.0000 0.0000 42205.8540 -222413.2103 153.5333 -264619.0643 -222135.5891 153.5333 -3373.1626 -3035.3578 921491.4634 -3373.1626 -3035.3578
ENERGY: 172 23612.5242 21689.2903 5788.4217 188.3823 -335345.7507 21036.2039 0.0000 0.0000 40787.7257 -222243.2026 148.3745 -263030.9283 -222132.3042 148.3745 -3754.4379 -3004.4813 921491.4634 -3754.4379 -3004.4813
ENERGY: 173 22089.5492 21081.4670 5776.7002 180.5475 -334414.6776 21003.0505 0.0000 0.0000 41986.3986 -222296.9646 152.7350 -264283.3632 -222121.1460 152.7350 -3608.5986 -2944.3814 921491.4634 -3608.5986 -2944.3814
ENERGY: 174 18699.8472 20250.6916 5763.7521 172.7179 -333314.9341 20954.5022 0.0000 0.0000 44924.4954 -222548.9277 163.4230 -267473.4231 -222120.6678 163.4230 -3086.0087 -2871.4631 921491.4634 -3086.0087 -2871.4631
ENERGY: 175 17219.9375 19455.5735 5752.1494 165.6559 -332464.6995 20928.3118 0.0000 0.0000 46291.0146 -222652.0569 168.3940 -268943.0715 -222120.1885 168.3940 -2676.4054 -2794.4451 921491.4634 -2676.4054 -2794.4451
ENERGY: 176 19195.1039 18891.7629 5743.5896 160.0071 -332124.2127 20943.2095 0.0000 0.0000 44722.5121 -222468.0277 162.6882 -267190.5397 -222127.3368 162.6882 -2658.3220 -2727.5044 921491.4634 -2658.3220 -2727.5044
ENERGY: 177 21863.3196 18664.1735 5738.9484 156.2659 -332371.2411 20981.6518 0.0000 0.0000 42714.2625 -222252.6194 155.3827 -264966.8819 -222125.5135 155.3827 -2870.6845 -2681.8089 921491.4634 -2870.6845 -2681.8089
ENERGY: 178 21917.7899 18733.9559 5737.6245 154.5770 -332975.2974 21015.2133 0.0000 0.0000 43101.1545 -222314.9823 156.7902 -265416.1368 -222126.1320 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
ENERGY: 179 20058.5719 19018.0840 5738.2698 154.9022 -333648.1817 21038.3004 0.0000 0.0000 45070.9165 -222569.1371 163.9556 -267640.0536 -222127.1792 163.9556 -2805.2707 -2668.3444 921491.4634 -2805.2707 -2668.3444
TIMING: 180 CPU: 86.1753, 0.470998/step Wall: 86.1753, 0.470998/step, 0.0418665 hours remaining, 3222.222656 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 19770.2942 19384.7964 5738.8341 156.9935 -334084.3524 21065.2916 0.0000 0.0000 45324.2215 -222643.9211 164.8771 -267968.1426 -222142.6344 164.8771 -2684.8629 -2671.3561 921491.4634 -2684.8629 -2671.3561
ENERGY: 181 22122.8095 19693.8083 5737.3498 160.4696 -334134.1968 21097.1423 0.0000 0.0000 42906.0429 -222416.5745 156.0804 -265322.6174 -222134.4681 156.0804 -2655.0378 -2656.7563 921491.4634 -2655.0378 -2656.7563
ENERGY: 182 23922.3458 19800.0773 5732.0748 164.8150 -333691.2984 21109.5294 0.0000 0.0000 40770.0178 -222192.4383 148.3101 -262962.4562 -222132.7634 148.3101 -2461.5987 -2635.7203 921491.4634 -2461.5987 -2635.7203
ENERGY: 183 22149.3488 19677.1534 5722.7616 169.5349 -332921.8738 21084.4912 0.0000 0.0000 41834.8234 -222283.7606 152.1836 -264118.5840 -222131.2590 152.1836 -1990.8047 -2626.5158 921491.4634 -1990.8047 -2626.5158
ENERGY: 184 18376.8756 19424.9915 5710.5469 174.1844 -332181.9079 21042.4479 0.0000 0.0000 44880.5528 -222572.3088 163.2631 -267452.8616 -222144.6139 163.2631 -1576.6176 -2645.2273 921491.4634 -1576.6176 -2645.2273
ENERGY: 185 16957.7744 19234.6873 5697.7241 178.4155 -331895.6960 21023.9444 0.0000 0.0000 46149.4988 -222653.6516 167.8792 -268803.1504 -222128.1653 167.8792 -1752.9883 -2679.2076 921491.4634 -1752.9883 -2679.2076
ENERGY: 186 19266.0406 19234.9571 5686.4352 181.9571 -332240.0935 21043.7460 0.0000 0.0000 44391.5887 -222435.3689 161.4844 -266826.9576 -222129.2885 161.4844 -2596.4731 -2731.4263 921491.4634 -2596.4731 -2731.4263
ENERGY: 187 22073.2968 19471.4303 5678.7398 184.6336 -333156.1124 21076.9265 0.0000 0.0000 42449.0056 -222222.0798 154.4178 -264671.0854 -222130.9077 154.4178 -3641.8535 -2802.0866 921491.4634 -3641.8535 -2802.0866
ENERGY: 188 22101.1830 19886.6773 5676.0120 186.3502 -334382.7610 21093.9045 0.0000 0.0000 43113.1615 -222325.4726 156.8338 -265438.6341 -222135.3908 156.8338 -4316.2654 -2887.0591 921491.4634 -4316.2654 -2887.0591
ENERGY: 189 20394.2461 20391.8601 5678.8863 187.1154 -335558.5039 21096.5840 0.0000 0.0000 45245.6388 -222564.1731 164.5912 -267809.8119 -222116.4323 164.5912 -4451.6369 -2950.0786 921491.4634 -4451.6369 -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 20342.0725 20848.4448 5686.3597 187.0164 -336318.7431 21106.5488 0.0000 0.0000 45533.2634 -222615.0374 165.6375 -268148.3008 -222116.1590 165.6375 -4141.9210 -2962.8209 921491.4634 -4141.9210 -2962.8209
ENERGY: 191 22534.8506 21157.2826 5696.5257 186.2614 -336419.5249 21124.8645 0.0000 0.0000 43330.7335 -222389.0066 157.6253 -265719.7402 -222114.1140 157.6253 -3471.5976 -2915.5481 921491.4634 -3471.5976 -2915.5481
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ENERGY: 195 17581.7011 20169.9815 5719.7968 183.0839 -332603.8309 21048.2210 0.0000 0.0000 45307.7485 -222593.2981 164.8171 -267901.0466 -222091.6062 164.8171 -398.0878 -2592.7756 921491.4634 -398.0878 -2592.7756
ENERGY: 196 19755.8662 19594.9320 5717.4229 183.5644 -332319.6950 21082.8580 0.0000 0.0000 43603.6155 -222381.4361 158.6180 -265985.0516 -222096.3127 158.6180 -1480.5940 -2574.8092 921491.4634 -1480.5940 -2574.8092
ENERGY: 197 21700.3670 19122.7580 5714.1451 184.7200 -332668.2730 21129.4588 0.0000 0.0000 42574.3654 -222242.4586 154.8738 -264816.8241 -222086.7179 154.8738 -3040.7436 -2596.5494 921491.4634 -3040.7436 -2596.5494
ENERGY: 198 21224.0060 18800.3006 5711.3574 186.3640 -333385.4997 21161.1534 0.0000 0.0000 43911.2863 -222391.0320 159.7372 -266302.3183 -222090.4391 159.7372 -4381.6807 -2646.7679 921491.4634 -4381.6807 -2646.7679
ENERGY: 199 20113.4047 18634.4040 5710.3429 188.2374 -334151.8586 21182.1777 0.0000 0.0000 45722.9589 -222600.3330 166.3276 -268323.2919 -222093.2750 166.3276 -5152.2284 -2691.5412 921491.4634 -5152.2284 -2691.5412
LDB: ============= START OF LOAD BALANCING ============== 101.523
LDB: Largest compute 200 load 0.424198 is 1.2% of average load 36.660387
LDB: Average compute 0.051355 is 0.1% of average load 36.660387
LDB: TIME 101.525 LOAD: AVG 36.6604 MAX 37.7202 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.57 MB
LDB: TIME 101.527 LOAD: AVG 36.6604 MAX 37.5338 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.57 MB
LDB: ============== END OF LOAD BALANCING =============== 101.529
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.532
Info: Initial time: 4 CPUs 0.47163 s/step 5.45868 days/ns 3223.53 MB memory
TIMING: 200 CPU: 95.6016, 0.471312/step Wall: 95.6016, 0.471312/step, 0.039276 hours remaining, 3223.527344 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 21073.6836 18595.6350 5711.8747 190.0258 -334670.2811 21209.9248 0.0000 0.0000 45319.1601 -222569.9771 164.8586 -267889.1372 -222114.5244 164.8586 -5241.8524 -2703.6812 921491.4634 -5241.8524 -2703.6812
ENERGY: 201 23380.1030 18674.3333 5716.2802 191.4189 -334751.7131 21239.1341 0.0000 0.0000 43222.4695 -222327.9741 157.2315 -265550.4436 -222100.1077 157.2315 -4546.2004 -2661.1900 921491.4634 -4546.2004 -2661.1900
ENERGY: 202 23622.8118 18850.8450 5722.5980 192.1474 -334305.3007 21243.2752 0.0000 0.0000 42432.5588 -222241.0646 154.3580 -264673.6233 -222096.8290 154.3580 -3005.0518 -2588.0013 921491.4634 -3005.0518 -2588.0013
ENERGY: 203 20743.8946 19130.0390 5729.2400 192.0764 -333501.9374 21215.8254 0.0000 0.0000 44059.6987 -222431.1633 160.2771 -266490.8620 -222093.6426 160.2771 -1046.8258 -2512.4434 921491.4634 -1046.8258 -2512.4434
ENERGY: 204 17862.6125 19486.9556 5734.1463 191.2124 -332722.2202 21188.8403 0.0000 0.0000 45629.4721 -222628.9810 165.9875 -268258.4530 -222116.7002 165.9875 452.9932 -2462.2930 921491.4634 452.9932 -2462.2930
ENERGY: 205 18189.0791 19868.9414 5735.7153 189.6741 -332398.2553 21197.9186 0.0000 0.0000 44690.7150 -222526.2117 162.5725 -267216.9267 -222099.8060 162.5725 731.8534 -2447.6353 921491.4634 731.8534 -2447.6353
ENERGY: 206 20668.8902 20170.9986 5732.9811 187.6404 -332716.3435 21241.8391 0.0000 0.0000 42439.0585 -222274.9356 154.3816 -264713.9941 -222100.3397 154.3816 -230.6569 -2488.2937 921491.4634 -230.6569 -2488.2937
ENERGY: 207 21693.8032 20338.2891 5726.5434 185.3060 -333603.9792 21289.9001 0.0000 0.0000 42143.6914 -222226.4459 153.3072 -264370.1373 -222103.0932 153.3072 -1896.3478 -2585.9683 921491.4634 -1896.3478 -2585.9683
ENERGY: 208 20293.2702 20371.8904 5718.1572 182.8654 -334789.2378 21322.2410 0.0000 0.0000 44428.6271 -222472.1865 161.6191 -266900.8136 -222122.6314 161.6191 -3669.0641 -2719.7952 921491.4634 -3669.0641 -2719.7952
ENERGY: 209 19428.8170 20325.0059 5710.3389 180.5135 -335910.2413 21349.5044 0.0000 0.0000 46273.6802 -222642.3815 168.3309 -268916.0617 -222106.7901 168.3309 -5197.7273 -2836.6306 921491.4634 -5197.7273 -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 21385.1734 20194.2569 5705.3139 178.4614 -336615.7769 21385.1096 0.0000 0.0000 45251.4335 -222516.0282 164.6123 -267767.4617 -222108.2016 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -2896.2627
ENERGY: 211 24099.1929 19985.8632 5704.9373 176.9105 -336667.8928 21415.1477 0.0000 0.0000 43031.7285 -222254.1128 156.5376 -265285.8414 -222106.8541 156.5376 -5900.2977 -2885.1010 921491.4634 -5900.2977 -2885.1010
ENERGY: 212 23739.2710 19730.8222 5710.0295 176.0352 -336013.6226 21412.5983 0.0000 0.0000 42995.1638 -222249.7025 156.4046 -265244.8663 -222104.2317 156.4046 -4424.1003 -2820.3211 921491.4634 -4424.1003 -2820.3211
ENERGY: 213 20150.2161 19524.5248 5720.1722 175.9508 -334874.6443 21380.5552 0.0000 0.0000 45418.7806 -222504.4446 165.2210 -267923.2252 -222097.3833 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
ENERGY: 214 17315.5529 19421.7448 5733.3059 176.6827 -333645.3935 21358.4485 0.0000 0.0000 46958.4703 -222681.1884 170.8220 -269639.6587 -222093.7406 170.8220 -143.6686 -2626.0578 921491.4634 -143.6686 -2626.0578
ENERGY: 215 18210.5056 19441.9743 5746.5772 178.1492 -332787.3321 21379.5596 0.0000 0.0000 45302.6746 -222527.8915 164.7987 -267830.5662 -222091.0446 164.7987 784.0014 -2554.0368 921491.4634 784.0014 -2554.0368
ENERGY: 216 20973.4718 19522.5062 5756.9571 180.1770 -332560.1059 21436.4836 0.0000 0.0000 42442.1787 -222248.3315 154.3930 -264690.5103 -222073.6154 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3868 19581.4820 5762.2416 182.5517 -333010.6755 21497.2705 0.0000 0.0000 41983.6750 -222225.0680 152.7251 -264208.7430 -222064.4462 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9157 19540.0891 5761.2415 184.9927 -333856.1144 21546.6561 0.0000 0.0000 44178.6836 -222478.5358 160.7099 -266657.2194 -222068.8152 160.7099 -2628.0651 -2703.9746 921491.4634 -2628.0651 -2703.9746
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TIMING: 220 CPU: 105.016, 0.470712/step Wall: 105.016, 0.470712/step, 0.0366109 hours remaining, 3223.527344 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: 240 CPU: 114.422, 0.470304/step Wall: 114.422, 0.470304/step, 0.0339664 hours remaining, 3223.527344 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: 242 22110.7716 20111.8208 5758.5348 169.0441 -335904.8193 21831.0568 0.0000 0.0000 43526.8720 -222396.7192 158.3388 -265923.5913 -222063.5733 158.3388 -4623.1687 -2633.0911 921491.4634 -4623.1687 -2633.0911
ENERGY: 243 19462.3620 19969.6445 5749.3614 168.8705 -335233.7065 21770.4748 0.0000 0.0000 45537.0691 -222575.9242 165.6513 -268112.9933 -222061.6671 165.6513 -3760.4503 -2614.6990 921491.4634 -3760.4503 -2614.6990
ENERGY: 244 18822.2464 19849.3934 5737.4544 169.6534 -334482.6009 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 20148.2369 19811.7599 5725.7785 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 20878.5481 19853.7024 5716.8932 174.1558 -334213.1204 21705.0850 0.0000 0.0000 43600.4182 -222284.3177 158.6063 -265884.7359 -222067.4294 158.6063 -1173.7929 -2523.3911 921491.4634 -1173.7929 -2523.3911
ENERGY: 247 19868.5287 19979.6439 5712.7400 177.5412 -334802.1841 21719.8454 0.0000 0.0000 44912.1913 -222431.6936 163.3782 -267343.8848 -222068.1393 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4924 20164.4295 5713.8450 181.3144 -335623.1351 21746.4311 0.0000 0.0000 46185.9363 -222595.6864 168.0117 -268781.6227 -222090.3126 168.0117 -1359.1246 -2608.3065 921491.4634 -1359.1246 -2608.3065
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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 21994.9042 20013.1599 5733.2541 193.8023 -336093.2674 21826.9295 0.0000 0.0000 43905.3720 -222425.8455 159.7157 -266331.2175 -222091.3304 159.7157 -3843.4681 -2758.0338 921491.4634 -3843.4681 -2758.0338
ENERGY: 253 19499.8637 19667.1122 5729.5496 195.2411 -334977.1804 21784.0536 0.0000 0.0000 45520.0192 -222581.3411 165.5893 -268101.3603 -222082.7204 165.5893 -3300.1272 -2735.8131 921491.4634 -3300.1272 -2735.8131
ENERGY: 254 19073.0881 19348.2295 5720.5008 195.9622 -333839.8795 21752.6524 0.0000 0.0000 45220.9195 -222528.5271 164.5013 -267749.4466 -222080.4685 164.5013 -2707.1336 -2696.1700 921491.4634 -2707.1336 -2696.1700
ENERGY: 255 20324.2311 19109.4101 5707.6062 196.0620 -333099.9230 21746.1515 0.0000 0.0000 43667.4211 -222349.0409 158.8501 -266016.4621 -222078.3975 158.8501 -2282.5423 -2662.7814 921491.4634 -2282.5423 -2662.7814
ENERGY: 256 20899.4410 18950.9577 5693.4518 195.6570 -332975.5971 21757.6847 0.0000 0.0000 43181.1612 -222297.2438 157.0812 -265478.4050 -222071.2739 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
ENERGY: 257 20029.5653 18878.1873 5681.1759 194.7976 -333481.0039 21780.2419 0.0000 0.0000 44488.5469 -222428.4891 161.8371 -266917.0360 -222060.1684 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5867 18882.0665 5673.2911 193.6684 -334373.1545 21817.5077 0.0000 0.0000 45796.2580 -222556.7762 166.5942 -268353.0342 -222062.0608 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 123.816, 0.469697/step Wall: 123.816, 0.469697/step, 0.0313131 hours remaining, 3223.878906 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: 262 21606.2724 19814.6778 5694.0656 188.7122 -336291.7858 21947.6073 0.0000 0.0000 44601.6347 -222438.8158 162.2485 -267040.4506 -222052.4321 162.2485 -3214.7561 -2810.4637 921491.4634 -3214.7561 -2810.4637
ENERGY: 263 19781.1228 20140.5622 5703.8103 187.9445 -335614.9712 21924.4739 0.0000 0.0000 45349.7773 -222527.2802 164.9700 -267877.0575 -222051.1545 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2260 20436.4305 5710.6950 187.5052 -334855.9511 21907.7771 0.0000 0.0000 44751.4785 -222476.8387 162.7936 -267228.3172 -222069.1982 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
ENERGY: 265 19946.8415 20681.9925 5713.6241 187.4392 -334395.6631 21906.0162 0.0000 0.0000 43607.6376 -222352.1119 158.6326 -265959.7495 -222054.3370 158.6326 -2038.0572 -2683.6035 921491.4634 -2038.0572 -2683.6035
ENERGY: 266 20048.7899 20788.8700 5712.1327 187.6137 -334399.4576 21914.4804 0.0000 0.0000 43399.3799 -222348.1910 157.8750 -265747.5709 -222054.3633 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0906 20691.2678 5707.0583 187.8501 -334831.4855 21930.8373 0.0000 0.0000 44220.2171 -222446.1644 160.8610 -266666.3815 -222055.6583 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9161 20375.7515 5700.1930 187.9286 -335513.7449 21959.1256 0.0000 0.0000 44823.5379 -222504.2922 163.0557 -267327.8301 -222075.9873 163.0557 -2903.2126 -2658.6181 921491.4634 -2903.2126 -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 -336650.6773 22028.8069 0.0000 0.0000 44308.0076 -222365.2736 161.1804 -266673.2812 -222067.0432 161.1804 -3583.3635 -2617.7583 921491.4634 -3583.3635 -2617.7583
ENERGY: 271 22345.5824 19078.8065 5690.0209 186.1610 -336571.7890 22035.2499 0.0000 0.0000 44829.4473 -222406.5210 163.0772 -267235.9683 -222066.8384 163.0772 -3261.2175 -2569.2622 921491.4634 -3261.2175 -2569.2622
ENERGY: 272 21021.5584 18896.0661 5692.8269 184.9335 -335921.4613 22015.0578 0.0000 0.0000 45607.7077 -222503.3109 165.9083 -268111.0186 -222081.1571 165.9083 -2551.9684 -2501.8805 921491.4634 -2551.9684 -2501.8805
ENERGY: 273 20123.2135 18932.9080 5697.5117 183.8526 -334925.7010 21985.5294 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 19401.8501 19594.7508 5701.2546 182.4904 -333292.1278 21971.0408 0.0000 0.0000 44028.5272 -222412.2139 160.1637 -266440.7411 -222072.9393 160.1637 -1580.1299 -2417.6040 921491.4634 -1580.1299 -2417.6040
ENERGY: 277 19149.2971 19724.7160 5695.5210 182.9396 -333864.3451 21997.2385 0.0000 0.0000 44632.8112 -222481.8216 162.3619 -267114.6329 -222061.0987 162.3619 -2311.7544 -2498.0545 921491.4634 -2311.7544 -2498.0545
ENERGY: 278 20199.4577 19713.7760 5686.9122 183.6585 -334821.1001 22041.3357 0.0000 0.0000 44532.2541 -222463.7060 161.9961 -266995.9601 -222063.4130 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
ENERGY: 279 21984.3650 19593.9431 5677.5176 184.5187 -335888.5799 22096.4197 0.0000 0.0000 43975.0880 -222376.7278 159.9693 -266351.8158 -222065.2022 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 133.203, 0.469335/step Wall: 133.203, 0.469335/step, 0.0286816 hours remaining, 3223.878906 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 20943.7898 19615.5379 5669.9796 186.8360 -336942.5034 22176.7653 0.0000 0.0000 45823.3370 -222526.2577 166.6927 -268349.5947 -222063.3316 166.6927 -2992.3272 -2779.3669 921491.4634 -2992.3272 -2779.3669
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ENERGY: 286 19396.6309 20966.5622 5721.5031 185.8229 -334658.1147 22176.6861 0.0000 0.0000 43785.6883 -222425.2211 159.2803 -266210.9094 -222054.0581 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1190 20856.7822 5731.9346 184.4714 -334918.1478 22200.2908 0.0000 0.0000 44282.9439 -222485.6058 161.0892 -266768.5497 -222055.7252 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2089 20475.2851 5736.9557 182.7335 -335468.3146 22237.9036 0.0000 0.0000 44116.9905 -222455.2374 160.4855 -266572.2279 -222066.9052 160.4855 -3310.5880 -2790.1554 921491.4634 -3310.5880 -2790.1554
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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 ============== 148.534
LDB: Largest compute 200 load 0.520204 is 1.1% of average load 45.804394
LDB: Average compute 0.064160 is 0.1% of average load 45.804394
LDB: TIME 148.536 LOAD: AVG 45.8044 MAX 46.9865 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.27 MB
LDB: TIME 148.537 LOAD: AVG 45.8044 MAX 46.9865 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.27 MB
LDB: TIME 148.553 LOAD: AVG 45.8044 MAX 46.3108 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.27 MB
LDB: ============== END OF LOAD BALANCING =============== 148.553
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.555
Info: Initial time: 4 CPUs 0.469715 s/step 5.43652 days/ns 3224.27 MB memory
TIMING: 300 CPU: 142.594, 0.469571/step Wall: 142.594, 0.469571/step, 0.0260873 hours remaining, 3224.269531 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: 151.831, 0.461865/step Wall: 151.831, 0.461865/step, 0.0230932 hours remaining, 3224.269531 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: 340 CPU: 161.058, 0.461331/step Wall: 161.058, 0.461331/step, 0.0205036 hours remaining, 3224.269531 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: 170.279, 0.461055/step Wall: 170.279, 0.461055/step, 0.0179299 hours remaining, 3224.269531 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: 380 CPU: 179.494, 0.460739/step Wall: 179.494, 0.460739/step, 0.015358 hours remaining, 3224.269531 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: 386 19981.2275 19220.9463 5707.6638 175.9384 -334865.1822 22880.7960 0.0000 0.0000 44519.8588 -222378.7514 161.9510 -266898.6103 -222051.0436 161.9510 122.6670 -2011.2427 921491.4634 122.6670 -2011.2427
ENERGY: 387 20367.2861 19202.4843 5710.9354 174.6759 -335109.8732 22905.2746 0.0000 0.0000 44377.1820 -222372.0348 161.4320 -266749.2168 -222053.0049 161.4320 -738.9585 -2019.1688 921491.4634 -738.9585 -2019.1688
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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 ============== 194.669
LDB: Largest compute 230 load 0.524350 is 1.1% of average load 45.690009
LDB: Average compute 0.063990 is 0.1% of average load 45.690009
LDB: TIME 194.671 LOAD: AVG 45.69 MAX 46.114 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.27 MB
LDB: TIME 194.671 LOAD: AVG 45.69 MAX 46.114 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.27 MB
LDB: TIME 194.672 LOAD: AVG 45.69 MAX 46.114 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.27 MB
LDB: ============== END OF LOAD BALANCING =============== 194.672
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.673
Info: Benchmark time: 4 CPUs 0.461082 s/step 5.3366 days/ns 3224.27 MB memory
TIMING: 400 CPU: 188.706, 0.460625/step Wall: 188.706, 0.460625/step, 0.0127951 hours remaining, 3224.269531 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: 416 19942.3171 20661.9897 5710.0857 195.6953 -336157.5870 23063.1716 0.0000 0.0000 44200.2855 -222384.0420 160.7885 -266584.3275 -222052.9643 160.7885 -282.7615 -2224.6897 921491.4634 -282.7615 -2224.6897
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ENERGY: 418 20154.6649 20457.0910 5705.5847 188.6536 -336970.7873 23098.6726 0.0000 0.0000 44915.1428 -222450.9777 163.3889 -267366.1205 -222046.7091 163.3889 -671.8547 -2269.9922 921491.4634 -671.8547 -2269.9922
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TIMING: 420 CPU: 197.899, 0.459626/step Wall: 197.899, 0.459626/step, 0.0102139 hours remaining, 3224.269531 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: 427 19598.5315 19595.2893 5707.1504 168.7509 -335498.4309 23074.5005 0.0000 0.0000 44915.2776 -222438.9306 163.3894 -267354.2082 -222048.7334 163.3894 -741.9010 -2207.6355 921491.4634 -741.9010 -2207.6355
ENERGY: 428 20140.4228 19760.4166 5710.4628 168.5259 -336199.9844 23087.7675 0.0000 0.0000 44884.2593 -222448.1294 163.2766 -267332.3888 -222058.0547 163.2766 -935.5732 -2206.9584 921491.4634 -935.5732 -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 22013.9873 20024.3736 5712.1700 168.1897 -338096.9195 23149.4491 0.0000 0.0000 44626.3095 -222402.4404 162.3382 -267028.7499 -222047.3912 162.3382 -2472.2456 -2268.0465 921491.4634 -2472.2456 -2268.0465
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ENERGY: 432 21768.3701 20188.6725 5710.3546 168.1086 -338651.2091 23176.0843 0.0000 0.0000 45177.9908 -222461.6283 164.3451 -267639.6191 -222065.9056 164.3451 -3350.2741 -2296.1497 921491.4634 -3350.2741 -2296.1497
ENERGY: 433 21200.9070 20275.9665 5710.3763 168.4633 -338164.0628 23162.2907 0.0000 0.0000 45192.9281 -222453.1309 164.3995 -267646.0590 -222052.5980 164.3995 -3187.3733 -2272.1276 921491.4634 -3187.3733 -2272.1276
ENERGY: 434 20730.3413 20338.1501 5711.6061 169.3247 -337394.2695 23140.7731 0.0000 0.0000 44883.0993 -222420.9749 163.2724 -267304.0742 -222051.1460 163.2724 -2694.3108 -2227.7885 921491.4634 -2694.3108 -2227.7885
ENERGY: 435 20235.2202 20362.4017 5714.0003 170.8455 -336680.6545 23123.4093 0.0000 0.0000 44675.9834 -222398.7942 162.5189 -267074.7776 -222049.5886 162.5189 -2061.3583 -2179.8951 921491.4634 -2061.3583 -2179.8951
ENERGY: 436 19670.9243 20349.9983 5717.2345 173.0864 -336303.8804 23119.9073 0.0000 0.0000 44847.0979 -222425.6317 163.1414 -267272.7296 -222059.6959 163.1414 -1520.6600 -2145.1618 921491.4634 -1520.6600 -2145.1618
ENERGY: 437 19434.5516 20329.5094 5720.9893 175.9827 -336411.9775 23136.3862 0.0000 0.0000 45159.2683 -222455.2901 164.2770 -267614.5584 -222050.7503 164.2770 -1319.1170 -2134.4849 921491.4634 -1319.1170 -2134.4849
ENERGY: 438 19935.1532 20278.6096 5724.6884 179.3848 -336899.4564 23173.5513 0.0000 0.0000 45148.1318 -222459.9373 164.2365 -267608.0692 -222051.5668 164.2365 -1493.0942 -2145.0882 921491.4634 -1493.0942 -2145.0882
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TIMING: 440 CPU: 207.081, 0.459105/step Wall: 207.081, 0.459105/step, 0.00765175 hours remaining, 3224.269531 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 22071.5683 20036.2369 5729.7527 186.7201 -338123.1790 23276.2477 0.0000 0.0000 44417.5453 -222405.1079 161.5788 -266822.6532 -222059.4773 161.5788 -2408.4614 -2197.9674 921491.4634 -2408.4614 -2197.9674
ENERGY: 441 22355.5484 19860.0405 5730.3488 190.1145 -338361.1697 23313.2036 0.0000 0.0000 44502.6960 -222409.2179 161.8886 -266911.9139 -222050.0860 161.8886 -2716.1029 -2221.5316 921491.4634 -2716.1029 -2221.5316
ENERGY: 442 21853.6115 19664.5344 5729.4854 192.9411 -338090.1514 23327.1558 0.0000 0.0000 44880.6317 -222441.7914 163.2634 -267322.4231 -222049.7755 163.2634 -2710.5578 -2229.0699 921491.4634 -2710.5578 -2229.0699
ENERGY: 443 21064.3315 19487.0716 5727.6164 194.9329 -337369.3131 23320.0147 0.0000 0.0000 45118.1105 -222457.2354 164.1273 -267575.3460 -222048.5996 164.1273 -2448.1652 -2220.3534 921491.4634 -2448.1652 -2220.3534
ENERGY: 444 20449.3364 19357.2683 5725.4095 195.8735 -336464.1902 23301.5264 0.0000 0.0000 44987.7176 -222447.0585 163.6530 -267434.7761 -222057.9795 163.6530 -2090.2102 -2206.4401 921491.4634 -2090.2102 -2206.4401
ENERGY: 445 20125.5609 19307.2511 5723.6513 195.6942 -335759.3896 23283.8127 0.0000 0.0000 44708.7155 -222414.7038 162.6380 -267123.4193 -222046.5425 162.6380 -1846.9629 -2201.6927 921491.4634 -1846.9629 -2201.6927
ENERGY: 446 19947.6805 19324.9001 5722.5430 194.3235 -335494.5693 23276.0438 0.0000 0.0000 44620.2947 -222408.7836 162.3164 -267029.0783 -222046.1617 162.3164 -1800.7522 -2216.7296 921491.4634 -1800.7522 -2216.7296
ENERGY: 447 19914.2849 19416.0208 5722.2107 191.8641 -335769.4387 23282.7445 0.0000 0.0000 44816.5091 -222425.8047 163.0301 -267242.3137 -222046.8339 163.0301 -1993.3116 -2253.0606 921491.4634 -1993.3116 -2253.0606
ENERGY: 448 20187.5922 19583.6800 5722.5764 188.5554 -336503.1794 23303.8891 0.0000 0.0000 45065.6676 -222451.2186 163.9365 -267516.8862 -222059.3481 163.9365 -2372.1882 -2303.7902 921491.4634 -2372.1882 -2303.7902
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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 21754.4852 20108.1303 5724.4776 181.0897 -338419.3247 23364.6231 0.0000 0.0000 44854.3100 -222432.2087 163.1677 -267286.5187 -222048.7861 163.1677 -3116.6759 -2394.3900 921491.4634 -3116.6759 -2394.3900
ENERGY: 451 22355.5900 20357.7259 5724.7144 177.6516 -338952.0908 23381.7996 0.0000 0.0000 44542.6992 -222411.9101 162.0341 -266954.6093 -222048.8246 162.0341 -3074.2535 -2405.7801 921491.4634 -3074.2535 -2405.7801
ENERGY: 452 22246.2013 20536.0138 5723.8953 174.8859 -338927.1537 23378.0934 0.0000 0.0000 44452.9202 -222415.1439 161.7075 -266868.0640 -222059.6369 161.7075 -2659.9608 -2384.7571 921491.4634 -2659.9608 -2384.7571
ENERGY: 453 21399.8727 20641.1315 5722.2878 173.1350 -338392.7936 23354.5899 0.0000 0.0000 44683.7037 -222418.0729 162.5470 -267101.7767 -222043.5371 162.5470 -2048.3341 -2342.4671 921491.4634 -2048.3341 -2342.4671
ENERGY: 454 20248.3384 20654.1377 5720.2217 172.3637 -337567.1418 23320.6895 0.0000 0.0000 45008.1468 -222443.2441 163.7273 -267451.3908 -222041.8390 163.7273 -1453.4582 -2293.1453 921491.4634 -1453.4582 -2293.1453
ENERGY: 455 19486.7909 20584.7123 5718.4844 172.5169 -336790.6457 23290.4018 0.0000 0.0000 45086.5791 -222451.1602 164.0126 -267537.7393 -222040.8569 164.0126 -1151.8828 -2255.8574 921491.4634 -1151.8828 -2255.8574
ENERGY: 456 19493.3723 20440.6803 5717.7555 173.4248 -336350.1080 23274.9628 0.0000 0.0000 44811.4727 -222438.4395 163.0118 -267249.9122 -222055.3485 163.0118 -1305.5007 -2245.5825 921491.4634 -1305.5007 -2245.5825
ENERGY: 457 20047.4931 20251.9437 5718.5580 174.9241 -336395.8168 23277.8273 0.0000 0.0000 44521.8704 -222403.2002 161.9583 -266925.0706 -222049.4132 161.9583 -1906.4167 -2263.5014 921491.4634 -1906.4167 -2263.5014
ENERGY: 458 20585.8437 20019.2725 5720.7060 176.6081 -336835.0960 23294.7172 0.0000 0.0000 44632.7885 -222405.1598 162.3618 -267037.9484 -222051.2822 162.3618 -2684.6988 -2301.0428 921491.4634 -2684.6988 -2301.0428
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TIMING: 460 CPU: 216.264, 0.459164/step Wall: 216.264, 0.459164/step, 0.00510183 hours remaining, 3224.269531 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 21262.6137 19597.9063 5728.0971 179.4910 -338014.3763 23341.8004 0.0000 0.0000 45423.8562 -222480.6115 165.2395 -267904.4678 -222064.6835 165.2395 -3669.8200 -2365.2412 921491.4634 -3669.8200 -2365.2412
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ENERGY: 462 22264.2254 19487.8106 5736.4822 180.9531 -337988.7167 23351.1093 0.0000 0.0000 44559.9288 -222408.2073 162.0968 -266968.1361 -222056.7213 162.0968 -2954.8198 -2323.4250 921491.4634 -2954.8198 -2323.4250
ENERGY: 463 21821.1793 19513.9012 5738.9361 181.1160 -337284.1028 23326.9486 0.0000 0.0000 44313.4566 -222388.5651 161.2002 -266702.0217 -222054.6241 161.2002 -2012.4423 -2264.0777 921491.4634 -2012.4423 -2264.0777
ENERGY: 464 20535.2463 19559.9269 5739.2518 181.0096 -336389.3845 23291.1952 0.0000 0.0000 44654.0262 -222428.7285 162.4391 -267082.7548 -222058.5730 162.4391 -1050.9226 -2205.5267 921491.4634 -1050.9226 -2205.5267
ENERGY: 465 19322.7829 19631.8852 5737.2898 180.7155 -335701.1542 23259.7403 0.0000 0.0000 45094.5684 -222474.1721 164.0416 -267568.7405 -222052.9389 164.0416 -512.3346 -2174.4006 921491.4634 -512.3346 -2174.4006
ENERGY: 466 19088.4512 19708.3580 5733.2107 180.2808 -335443.7736 23245.0617 0.0000 0.0000 45020.7905 -222467.6207 163.7733 -267488.4112 -222052.9786 163.7733 -630.3313 -2182.6708 921491.4634 -630.3313 -2182.6708
ENERGY: 467 19841.8072 19783.1743 5727.6704 179.7757 -335721.0964 23249.4544 0.0000 0.0000 44523.6660 -222415.5483 161.9649 -266939.2144 -222054.3496 161.9649 -1393.6028 -2232.5921 921491.4634 -1393.6028 -2232.5921
ENERGY: 468 20761.8485 19845.4945 5721.5089 179.2779 -336451.5679 23265.8141 0.0000 0.0000 44291.6578 -222385.9662 161.1209 -266677.6241 -222056.3590 161.1209 -2508.6711 -2314.1337 921491.4634 -2508.6711 -2314.1337
ENERGY: 469 21236.3017 19910.2025 5715.6824 178.8504 -337458.3215 23284.3978 0.0000 0.0000 44720.3196 -222412.5672 162.6802 -267132.8868 -222046.0750 162.6802 -3596.7402 -2405.7969 921491.4634 -3596.7402 -2405.7969
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1729 19972.8938 5710.9491 178.5947 -338383.2521 23297.0690 0.0000 0.0000 45346.4570 -222466.1156 164.9579 -267812.5726 -222047.6088 164.9579 -4259.6990 -2477.6827 921491.4634 -4259.6990 -2477.6827
ENERGY: 471 21732.8675 20054.6839 5707.9626 178.5890 -338913.2466 23297.5103 0.0000 0.0000 45471.3362 -222470.2971 165.4122 -267941.6333 -222047.5359 165.4122 -4290.5678 -2504.3171 921491.4634 -4290.5678 -2504.3171
ENERGY: 472 22081.2360 20161.5555 5707.0091 178.9047 -338870.6779 23279.4510 0.0000 0.0000 45028.5291 -222433.9926 163.8014 -267462.5217 -222059.5055 163.8014 -3659.7355 -2479.9179 921491.4634 -3659.7355 -2479.9179
ENERGY: 473 21866.1364 20289.3429 5707.9843 179.6165 -338307.7204 23240.7382 0.0000 0.0000 44634.5166 -222389.3856 162.3681 -267023.9021 -222043.8536 162.3681 -2556.3611 -2408.1653 921491.4634 -2556.3611 -2408.1653
ENERGY: 474 20842.9706 20372.0989 5710.2160 180.7466 -337438.4565 23189.2367 0.0000 0.0000 44733.2299 -222409.9578 162.7272 -267143.1877 -222041.2616 162.7272 -1295.5520 -2316.2723 921491.4634 -1295.5520 -2316.2723
ENERGY: 475 19674.2081 20371.7676 5712.9876 182.2512 -336604.2325 23142.3836 0.0000 0.0000 45070.2131 -222450.4213 163.9530 -267520.6344 -222039.4527 163.9530 -344.6445 -2232.2121 921491.4634 -344.6445 -2232.2121
ENERGY: 476 19235.7863 20282.0276 5715.7683 184.0125 -336100.0915 23115.8485 0.0000 0.0000 45106.0625 -222460.5858 164.0835 -267566.6484 -222053.6135 164.0835 -92.4045 -2183.0647 921491.4634 -92.4045 -2183.0647
ENERGY: 477 19704.7252 20145.9814 5718.4976 185.9230 -336101.8798 23114.2956 0.0000 0.0000 44812.3198 -222420.1371 163.0149 -267232.4569 -222044.8408 163.0149 -667.4941 -2171.8223 921491.4634 -667.4941 -2171.8223
ENERGY: 478 20493.4779 19974.7637 5721.0254 187.7262 -336537.4040 23131.2476 0.0000 0.0000 44627.0320 -222402.1311 162.3409 -267029.1632 -222047.4104 162.3409 -1807.1599 -2198.7951 921491.4634 -1807.1599 -2198.7951
ENERGY: 479 21125.3059 19793.3954 5723.3295 189.2099 -337215.5837 23156.6786 0.0000 0.0000 44802.1565 -222425.5079 162.9779 -267227.6645 -222050.5457 162.9779 -3089.8510 -2246.7912 921491.4634 -3089.8510 -2246.7912
TIMING: 480 CPU: 225.438, 0.458711/step Wall: 225.438, 0.458711/step, 0.00254839 hours remaining, 3224.269531 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 21624.0325 19623.1961 5725.3111 190.1901 -337854.6781 23181.5131 0.0000 0.0000 45051.6804 -222458.7549 163.8856 -267510.4353 -222064.6208 163.8856 -4077.7320 -2291.4887 921491.4634 -4077.7320 -2291.4887
ENERGY: 481 22092.4851 19510.0429 5727.0953 190.6351 -338199.2474 23196.7970 0.0000 0.0000 45041.3359 -222440.8562 163.8480 -267482.1920 -222052.5264 163.8480 -4466.2388 -2305.6728 921491.4634 -4466.2388 -2305.6728
ENERGY: 482 22186.3466 19466.6789 5728.4964 190.3598 -338044.5411 23192.7484 0.0000 0.0000 44865.8511 -222414.0599 163.2096 -267279.9110 -222051.4111 163.2096 -4059.3093 -2278.0611 921491.4634 -4059.3093 -2278.0611
ENERGY: 483 21553.1414 19511.5740 5729.5660 189.3227 -337426.2180 23165.8749 0.0000 0.0000 44861.8960 -222414.8428 163.1952 -267276.7389 -222048.7671 163.1952 -2964.1719 -2216.4113 921491.4634 -2964.1719 -2216.4113
ENERGY: 484 20460.8928 19631.1936 5730.2465 187.5455 -336590.8884 23126.1359 0.0000 0.0000 45003.6024 -222451.2717 163.7107 -267454.8742 -222059.8742 163.7107 -1565.2424 -2143.1848 921491.4634 -1565.2424 -2143.1848
ENERGY: 485 19688.7723 19800.2989 5730.5256 185.2458 -335902.5869 23092.8478 0.0000 0.0000 44955.5719 -222449.3246 163.5360 -267404.8965 -222045.9606 163.5360 -422.1570 -2086.8735 921491.4634 -422.1570 -2086.8735
ENERGY: 486 19602.5429 19954.8176 5729.7198 182.4662 -335612.3573 23080.3814 0.0000 0.0000 44645.9112 -222416.5182 162.4096 -267062.4294 -222044.6760 162.4096 87.3180 -2070.0982 921491.4634 87.3180 -2070.0982
ENERGY: 487 19881.0928 20072.0215 5727.4347 179.4360 -335846.4488 23091.0549 0.0000 0.0000 44503.3489 -222392.0599 161.8910 -266895.4088 -222045.2407 161.8910 -192.2347 -2106.8840 921491.4634 -192.2347 -2106.8840
ENERGY: 488 20125.2100 20156.1365 5723.5441 176.4338 -336552.5457 23118.8621 0.0000 0.0000 44827.0553 -222425.3039 163.0685 -267252.3592 -222057.1936 163.0685 -1145.7532 -2194.6678 921491.4634 -1145.7532 -2194.6678
ENERGY: 489 20526.8871 20236.4614 5718.5748 173.8639 -337540.4660 23156.7314 0.0000 0.0000 45266.1003 -222461.8471 164.6656 -267727.9474 -222045.6084 164.6656 -2511.2402 -2316.7066 921491.4634 -2511.2402 -2316.7066
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7486 20292.9027 5712.8912 171.8438 -338458.1366 23196.4880 0.0000 0.0000 45213.5631 -222459.6992 164.4745 -267673.2622 -222048.2206 164.4745 -3823.4036 -2437.4154 921491.4634 -3823.4036 -2437.4154
ENERGY: 491 22430.4637 20312.1366 5707.3795 170.5404 -338984.5800 23226.0940 0.0000 0.0000 44733.0092 -222404.9567 162.7264 -267137.9659 -222049.4636 162.7264 -4629.6932 -2524.6214 921491.4634 -4629.6932 -2524.6214
ENERGY: 492 22612.9546 20289.6816 5702.9944 170.0208 -338937.5824 23232.7208 0.0000 0.0000 44542.1954 -222387.0149 162.0323 -266929.2102 -222060.3858 162.0323 -4606.8524 -2557.4730 921491.4634 -4606.8524 -2557.4730
ENERGY: 493 21558.2190 20260.7379 5700.7779 170.3200 -338358.0643 23214.0539 0.0000 0.0000 45033.8232 -222420.1324 163.8207 -267453.9556 -222046.5899 163.8207 -3796.3820 -2540.0997 921491.4634 -3796.3820 -2540.0997
ENERGY: 494 20068.3368 20225.0266 5700.9805 171.2193 -337454.3847 23183.0798 0.0000 0.0000 45622.2480 -222483.4937 165.9612 -268105.7417 -222044.0865 165.9612 -2500.8994 -2482.1069 921491.4634 -2500.8994 -2482.1069
ENERGY: 495 19383.2465 20186.8305 5703.5926 172.5416 -336566.9899 23159.4628 0.0000 0.0000 45484.1237 -222477.1923 165.4587 -267961.3160 -222041.5561 165.4587 -1249.6839 -2407.3057 921491.4634 -1249.6839 -2407.3057
ENERGY: 496 19722.4836 20130.6475 5708.0350 174.0933 -335998.7167 23154.2639 0.0000 0.0000 44699.5276 -222409.6656 162.6046 -267109.1933 -222049.0667 162.6046 -478.8998 -2343.4750 921491.4634 -478.8998 -2343.4750
ENERGY: 497 20212.6672 20059.9178 5713.4612 175.7242 -335952.5053 23166.3549 0.0000 0.0000 44261.0293 -222363.3507 161.0095 -266624.3800 -222042.7497 161.0095 -421.0233 -2316.7928 921491.4634 -421.0233 -2316.7928
ENERGY: 498 20182.0168 19957.1215 5718.5596 177.2604 -336366.4942 23189.3589 0.0000 0.0000 44728.2540 -222413.9230 162.7091 -267142.1770 -222044.5216 162.7091 -993.4679 -2331.6472 921491.4634 -993.4679 -2331.6472
ENERGY: 499 20158.0680 19847.7306 5722.4089 178.6361 -337058.4832 23219.2408 0.0000 0.0000 45439.2652 -222493.1336 165.2956 -267932.3988 -222047.2059 165.2956 -2020.8686 -2376.3390 921491.4634 -2020.8686 -2376.3390
Info: Benchmark time: 4 CPUs 0.458347 s/step 5.30494 days/ns 3224.27 MB memory
TIMING: 500 CPU: 234.541, 0.455137/step Wall: 234.541, 0.455137/step, 0 hours remaining, 3224.269531 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 19756.6580 5724.4523 179.8271 -337741.4199 23251.1013 0.0000 0.0000 45359.0789 -222495.4088 165.0039 -267854.4877 -222061.0906 165.0039 -3197.5165 -2425.4141 921491.4634 -3197.5165 -2425.4141
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, 3229.883 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.883 MB of memory in use
====================================================
WallClock: 241.392502 CPUTime: 241.392502 Memory: 3229.882812 MB
[Partition 0][Node 0] End of program
Application 88999504 resources: utime ~949s, stime ~19s, Rss ~127024, inblocks ~67012, outblocks ~72238
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins5735026759183210194.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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