Skipping 712 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 ============== 54.1731
LDB: Largest compute 200 load 0.428723 is 1.2% of average load 36.799409
LDB: Average compute 0.051552 is 0.1% of average load 36.799409
LDB: Partitioning computes with target load 3.679941
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055648
LDB: ============== END OF LOAD BALANCING =============== 54.1752
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.176
Info: Initial time: 4 CPUs 0.473052 s/step 5.47514 days/ns 3221.53 MB memory
TIMING: 100 CPU: 48.2771, 0.472102/step Wall: 48.2771, 0.472102/step, 0.0524558 hours remaining, 3221.531250 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 ============== 63.6012
LDB: ============== END OF LOAD BALANCING =============== 63.6012
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.6017
TIMING: 120 CPU: 57.7027, 0.47128/step Wall: 57.7027, 0.47128/step, 0.0497462 hours remaining, 3221.761719 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 21874.8526 19195.4802 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9639 -222340.8737 155.6399 -265125.8376 -222213.1814 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.1192, 0.470825/step Wall: 67.1192, 0.470825/step, 0.0470825 hours remaining, 3221.980469 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 -334899.3753 20845.5770 0.0000 0.0000 44606.5898 -222515.5244 162.2665 -267122.1142 -222153.2666 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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ENERGY: 156 18312.4484 20599.9073 5758.8570 173.6449 -332218.9144 20684.3829 0.0000 0.0000 44137.5522 -222552.1217 160.5603 -266689.6739 -222166.8046 160.5603 -219.5096 -2571.5313 921491.4634 -219.5096 -2571.5313
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ENERGY: 158 21695.0847 19425.3238 5743.5667 171.3409 -332829.8098 20761.5804 0.0000 0.0000 42713.6820 -222319.2314 155.3806 -265032.9133 -222157.3219 155.3806 -715.5937 -2586.7969 921491.4634 -715.5937 -2586.7969
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TIMING: 160 CPU: 76.5257, 0.470323/step Wall: 76.5257, 0.470323/step, 0.0444194 hours remaining, 3222.125000 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: 177 21863.3195 18664.1735 5738.9484 156.2659 -332371.2409 20981.6518 0.0000 0.0000 42714.2624 -222252.6194 155.3827 -264966.8818 -222125.5135 155.3827 -2870.6846 -2681.8089 921491.4634 -2870.6846 -2681.8089
ENERGY: 178 21917.7900 18733.9558 5737.6245 154.5770 -332975.2972 21015.2132 0.0000 0.0000 43101.1545 -222314.9823 156.7902 -265416.1367 -222126.1320 156.7902 -2936.2256 -2665.7683 921491.4634 -2936.2256 -2665.7683
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TIMING: 180 CPU: 85.9203, 0.469729/step Wall: 85.9203, 0.469729/step, 0.0417537 hours remaining, 3222.265625 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: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1127 21076.9264 0.0000 0.0000 42449.0056 -222222.0801 154.4178 -264671.0858 -222130.9080 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
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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: 198 21224.0060 18800.3005 5711.3574 186.3640 -333385.4999 21161.1533 0.0000 0.0000 43911.2864 -222391.0324 159.7372 -266302.3188 -222090.4395 159.7372 -4381.6809 -2646.7680 921491.4634 -4381.6809 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.215
LDB: Largest compute 200 load 0.424476 is 1.2% of average load 36.618089
LDB: Average compute 0.051292 is 0.1% of average load 36.618089
LDB: TIME 101.217 LOAD: AVG 36.6181 MAX 37.6131 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.61 MB
LDB: TIME 101.219 LOAD: AVG 36.6181 MAX 37.5005 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.61 MB
LDB: ============== END OF LOAD BALANCING =============== 101.221
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.224
Info: Initial time: 4 CPUs 0.470366 s/step 5.44405 days/ns 3223.54 MB memory
TIMING: 200 CPU: 95.3232, 0.470148/step Wall: 95.3232, 0.470148/step, 0.039179 hours remaining, 3223.535156 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
ENERGY: 210 21385.1735 20194.2570 5705.3139 178.4614 -336615.7769 21385.1095 0.0000 0.0000 45251.4334 -222516.0283 164.6123 -267767.4616 -222108.2017 164.6123 -6091.3664 -2896.2628 921491.4634 -6091.3664 -2896.2628
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TIMING: 220 CPU: 104.731, 0.470393/step Wall: 104.731, 0.470393/step, 0.0365862 hours remaining, 3223.535156 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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TIMING: 240 CPU: 114.132, 0.47003/step Wall: 114.132, 0.47003/step, 0.0339466 hours remaining, 3223.535156 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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ENERGY: 246 20878.5480 19853.7026 5716.8932 174.1558 -334213.1205 21705.0849 0.0000 0.0000 43600.4182 -222284.3178 158.6063 -265884.7360 -222067.4295 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5286 19979.6442 5712.7400 177.5412 -334802.1841 21719.8453 0.0000 0.0000 44912.1912 -222431.6936 163.3782 -267343.8848 -222068.1393 163.3782 -983.0001 -2552.5930 921491.4634 -983.0001 -2552.5930
ENERGY: 248 19035.4925 20164.4298 5713.8450 181.3144 -335623.1352 21746.4309 0.0000 0.0000 46185.9361 -222595.6865 168.0117 -268781.6227 -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: 256 20899.4409 18950.9577 5693.4518 195.6570 -332975.5970 21757.6846 0.0000 0.0000 43181.1613 -222297.2438 157.0812 -265478.4051 -222071.2740 157.0812 -2042.2410 -2664.5199 921491.4634 -2042.2410 -2664.5199
ENERGY: 257 20029.5653 18878.1873 5681.1759 194.7976 -333481.0038 21780.2418 0.0000 0.0000 44488.5468 -222428.4891 161.8371 -266917.0360 -222060.1684 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5867 18882.0666 5673.2911 193.6684 -334373.1543 21817.5076 0.0000 0.0000 45796.2578 -222556.7763 166.5942 -268353.0340 -222062.0609 166.5942 -2331.2329 -2737.1920 921491.4634 -2331.2329 -2737.1920
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TIMING: 260 CPU: 123.524, 0.469612/step Wall: 123.524, 0.469612/step, 0.0313074 hours remaining, 3223.839844 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: 277 19149.2972 19724.7160 5695.5210 182.9396 -333864.3453 21997.2386 0.0000 0.0000 44632.8114 -222481.8216 162.3619 -267114.6330 -222061.0986 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4577 19713.7760 5686.9122 183.6585 -334821.1003 22041.3358 0.0000 0.0000 44532.2542 -222463.7060 161.9961 -266995.9602 -222063.4129 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
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TIMING: 280 CPU: 132.903, 0.468945/step Wall: 132.903, 0.468945/step, 0.0286577 hours remaining, 3223.839844 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 ============== 148.204
LDB: Largest compute 200 load 0.516897 is 1.1% of average load 45.725776
LDB: Average compute 0.064050 is 0.1% of average load 45.725776
LDB: TIME 148.206 LOAD: AVG 45.7258 MAX 46.98 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.04 MB
LDB: TIME 148.206 LOAD: AVG 45.7258 MAX 46.98 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.04 MB
LDB: TIME 148.222 LOAD: AVG 45.7258 MAX 46.2491 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.04 MB
LDB: ============== END OF LOAD BALANCING =============== 148.223
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.225
Info: Initial time: 4 CPUs 0.46947 s/step 5.43369 days/ns 3224.04 MB memory
TIMING: 300 CPU: 142.291, 0.469422/step Wall: 142.291, 0.469422/step, 0.026079 hours remaining, 3224.039062 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
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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: 151.513, 0.461069/step Wall: 151.513, 0.461069/step, 0.0230534 hours remaining, 3224.039062 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
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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: 160.724, 0.460581/step Wall: 160.724, 0.460581/step, 0.0204703 hours remaining, 3224.039062 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
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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: 356 19622.4370 20015.8110 5694.4280 181.9402 -334758.7687 22674.4074 0.0000 0.0000 44153.0887 -222416.6563 160.6168 -266569.7450 -222053.0960 160.6168 -1622.0263 -2446.8266 921491.4634 -1622.0263 -2446.8266
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TIMING: 360 CPU: 169.93, 0.460277/step Wall: 169.93, 0.460277/step, 0.0178997 hours remaining, 3224.039062 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
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ENERGY: 363 21303.6020 19794.1188 5692.1162 181.3427 -337235.0085 22818.0648 0.0000 0.0000 45033.6629 -222412.1011 163.8201 -267445.7640 -222049.5296 163.8201 -2242.6819 -2529.7064 921491.4634 -2242.6819 -2529.7064
ENERGY: 364 19323.8975 19612.6014 5699.8913 181.0103 -336175.1993 22790.5189 0.0000 0.0000 46034.3491 -222532.9309 167.4603 -268567.2799 -222068.5914 167.4603 -1420.0425 -2476.3756 921491.4634 -1420.0425 -2476.3756
ENERGY: 365 18830.5839 19548.3420 5710.7559 180.6857 -335316.0963 22775.7827 0.0000 0.0000 45760.0889 -222509.8573 166.4626 -268269.9462 -222057.4399 166.4626 -1100.2606 -2433.4822 921491.4634 -1100.2606 -2433.4822
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ENERGY: 367 20741.0595 19662.8834 5732.9484 180.1165 -335098.3152 22794.3490 0.0000 0.0000 43662.6186 -222324.3397 158.8326 -265986.9583 -222058.3710 158.8326 -2104.1272 -2437.9268 921491.4634 -2104.1272 -2437.9268
ENERGY: 368 20561.5936 19748.2120 5739.6691 179.8275 -335728.0872 22808.6648 0.0000 0.0000 44272.8410 -222417.2792 161.0524 -266690.1201 -222068.2911 161.0524 -2928.4887 -2487.3071 921491.4634 -2928.4887 -2487.3071
ENERGY: 369 20346.9678 19812.6205 5741.6370 179.5048 -336580.3307 22825.3355 0.0000 0.0000 45155.6312 -222518.6339 164.2638 -267674.2651 -222061.1000 164.2638 -3666.9891 -2542.4575 921491.4634 -3666.9891 -2542.4575
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 370 21302.3706 19815.7282 5738.6028 179.1429 -337296.0554 22846.3046 0.0000 0.0000 44920.4948 -222493.4115 163.4084 -267413.9062 -222062.2624 163.4084 -4081.4437 -2576.8191 921491.4634 -4081.4437 -2576.8191
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ENERGY: 376 19884.0273 19962.1766 5703.2011 181.1433 -335321.8634 22772.8698 0.0000 0.0000 44434.3279 -222384.1175 161.6399 -266818.4453 -222050.5528 161.6399 -874.6222 -2439.6904 921491.4634 -874.6222 -2439.6904
ENERGY: 377 20646.4607 20251.1595 5706.5522 182.3248 -335763.5803 22794.3771 0.0000 0.0000 43848.2758 -222334.4302 159.5080 -266182.7059 -222041.4012 159.5080 -1819.5857 -2472.4987 921491.4634 -1819.5857 -2472.4987
ENERGY: 378 20473.8098 20495.6597 5711.4639 183.2952 -336584.2280 22821.5834 0.0000 0.0000 44474.7540 -222423.6620 161.7869 -266898.4160 -222044.3966 161.7869 -2972.9872 -2523.3499 921491.4634 -2972.9872 -2523.3499
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TIMING: 380 CPU: 179.129, 0.45997/step Wall: 179.129, 0.45997/step, 0.0153323 hours remaining, 3224.039062 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
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ENERGY: 384 19625.4113 19596.0353 5710.5350 179.0647 -336052.0484 22884.2535 0.0000 0.0000 45539.1833 -222517.5654 165.6590 -268056.7487 -222062.0922 165.6590 -569.2379 -2166.9356 921491.4634 -569.2379 -2166.9356
ENERGY: 385 19327.8181 19356.8911 5707.7752 177.4354 -335210.6398 22871.6145 0.0000 0.0000 45299.7170 -222469.3886 164.7879 -267769.1056 -222051.0990 164.7879 215.3516 -2064.3634 921491.4634 215.3516 -2064.3634
ENERGY: 386 19981.2272 19220.9463 5707.6638 175.9384 -334865.1814 22880.7959 0.0000 0.0000 44519.8585 -222378.7512 161.9510 -266898.6097 -222051.0434 161.9510 122.6672 -2011.2426 921491.4634 122.6672 -2011.2426
ENERGY: 387 20367.2858 19202.4843 5710.9355 174.6759 -335109.8723 22905.2746 0.0000 0.0000 44377.1816 -222372.0346 161.4320 -266749.2162 -222053.0046 161.4320 -738.9582 -2019.1686 921491.4634 -738.9582 -2019.1686
ENERGY: 388 20282.3984 19280.0166 5717.2935 173.7038 -335824.1516 22938.2903 0.0000 0.0000 44972.7762 -222459.6728 163.5986 -267432.4490 -222067.4814 163.5986 -2063.8550 -2076.2819 921491.4634 -2063.8550 -2076.2819
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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 19906.7783 20200.7713 5721.4919 176.2273 -336102.8183 22990.0383 0.0000 0.0000 44712.8674 -222394.6438 162.6531 -267107.5113 -222042.6596 162.6531 -376.0859 -2327.2100 921491.4634 -376.0859 -2327.2100
ENERGY: 398 19692.8115 20133.3594 5716.9814 176.0456 -336812.3386 23014.0593 0.0000 0.0000 45592.7321 -222486.3493 165.8538 -268079.0814 -222045.7219 165.8538 -1710.2233 -2443.6963 921491.4634 -1710.2233 -2443.6963
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LDB: ============= START OF LOAD BALANCING ============== 194.267
LDB: Largest compute 230 load 0.524914 is 1.2% of average load 45.618332
LDB: Average compute 0.063877 is 0.1% of average load 45.618332
LDB: TIME 194.268 LOAD: AVG 45.6183 MAX 46.0421 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.04 MB
LDB: TIME 194.269 LOAD: AVG 45.6183 MAX 46.0421 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.04 MB
LDB: TIME 194.269 LOAD: AVG 45.6183 MAX 46.0421 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.04 MB
LDB: ============== END OF LOAD BALANCING =============== 194.27
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.27
Info: Benchmark time: 4 CPUs 0.460362 s/step 5.32826 days/ns 3224.04 MB memory
TIMING: 400 CPU: 188.331, 0.46011/step Wall: 188.331, 0.46011/step, 0.0127808 hours remaining, 3224.039062 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
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ENERGY: 402 22444.0480 19835.9109 5715.8942 173.8391 -338107.6293 23109.6387 0.0000 0.0000 44436.8093 -222391.4890 161.6489 -266828.2984 -222049.2226 161.6489 -4939.3793 -2681.7022 921491.4634 -4939.3793 -2681.7022
ENERGY: 403 20784.9694 19778.4827 5715.7218 174.2695 -337239.9789 23077.8412 0.0000 0.0000 45225.5958 -222483.0984 164.5183 -267708.6942 -222046.6854 164.5183 -3613.5976 -2605.7425 921491.4634 -3613.5976 -2605.7425
ENERGY: 404 19687.5953 19735.4027 5713.8114 175.5084 -336169.1143 23038.2910 0.0000 0.0000 45313.8387 -222504.6668 164.8393 -267818.5055 -222060.2370 164.8393 -1967.0744 -2494.0435 921491.4634 -1967.0744 -2494.0435
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ENERGY: 408 19735.8468 19387.6641 5692.2152 187.5226 -335902.8217 23017.8182 0.0000 0.0000 45394.4117 -222487.3430 165.1324 -267881.7547 -222063.5309 165.1324 -920.8277 -2294.1553 921491.4634 -920.8277 -2294.1553
ENERGY: 409 20350.1187 19376.4605 5688.4775 191.1593 -336896.6846 23057.9931 0.0000 0.0000 45733.6054 -222498.8701 166.3663 -268232.4756 -222051.6702 166.3663 -2367.4917 -2346.9322 921491.4634 -2367.4917 -2346.9322
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5212 19470.1801 5687.6650 194.4179 -337813.1846 23106.2037 0.0000 0.0000 45077.0710 -222427.1258 163.9780 -267504.1968 -222054.6425 163.9780 -3838.6210 -2402.0237 921491.4634 -3838.6210 -2402.0237
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ENERGY: 412 22535.8952 19878.8220 5694.3234 198.8205 -338356.4977 23146.2943 0.0000 0.0000 44499.5083 -222402.8340 161.8770 -266902.3424 -222068.4596 161.8770 -4717.2138 -2436.3026 921491.4634 -4717.2138 -2436.3026
ENERGY: 413 21130.1417 20138.5248 5699.9334 199.7191 -337872.5322 23125.1123 0.0000 0.0000 45113.2142 -222465.8867 164.1095 -267579.1009 -222055.3451 164.1095 -3850.6268 -2398.9547 921491.4634 -3850.6268 -2398.9547
ENERGY: 414 19987.3856 20381.5506 5705.1135 199.5118 -337122.7801 23094.4564 0.0000 0.0000 45271.6527 -222483.1095 164.6858 -267754.7622 -222052.1621 164.6858 -2501.3241 -2333.9462 921491.4634 -2501.3241 -2333.9462
ENERGY: 415 19745.2666 20572.1259 5708.7452 198.1487 -336456.1976 23071.1997 0.0000 0.0000 44733.2273 -222427.4842 162.7272 -267160.7115 -222049.0344 162.7272 -1174.6450 -2266.5614 921491.4634 -1174.6450 -2266.5614
ENERGY: 416 19942.3168 20661.9896 5710.0857 195.6954 -336157.5866 23063.1719 0.0000 0.0000 44200.2851 -222384.0420 160.7885 -266584.3271 -222052.9643 160.7885 -282.7611 -2224.6896 921491.4634 -282.7611 -2224.6896
ENERGY: 417 20031.3747 20631.3210 5709.0494 192.4696 -336373.1079 23072.1102 0.0000 0.0000 44338.4621 -222398.3209 161.2911 -266736.7830 -222044.6993 161.2911 -112.4551 -2227.1699 921491.4634 -112.4551 -2227.1699
ENERGY: 418 20154.6646 20457.0910 5705.5848 188.6536 -336970.7872 23098.6729 0.0000 0.0000 44915.1425 -222450.9778 163.3889 -267366.1202 -222046.7092 163.3889 -671.8545 -2269.9921 921491.4634 -671.8545 -2269.9921
ENERGY: 419 20790.7632 20185.5525 5700.4811 184.6055 -337717.8761 23139.8025 0.0000 0.0000 45250.3102 -222466.3613 164.6082 -267716.6714 -222049.5950 164.6082 -1783.9421 -2336.6464 921491.4634 -1783.9421 -2336.6464
TIMING: 420 CPU: 197.51, 0.458916/step Wall: 197.51, 0.458916/step, 0.0101981 hours remaining, 3224.039062 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
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ENERGY: 422 22275.7614 19449.5348 5688.9977 174.4058 -338225.0313 23208.5476 0.0000 0.0000 45004.7085 -222423.0756 163.7148 -267427.7841 -222052.8448 163.7148 -4363.1153 -2465.6373 921491.4634 -4363.1153 -2465.6373
ENERGY: 423 21418.8983 19324.4271 5689.6737 172.2146 -337416.8953 23180.6040 0.0000 0.0000 45183.9715 -222447.1062 164.3669 -267631.0777 -222051.5231 164.3669 -3955.8308 -2434.9306 921491.4634 -3955.8308 -2434.9306
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ENERGY: 426 19603.3345 19432.3067 5702.4947 169.0990 -335270.6870 23080.2890 0.0000 0.0000 44862.7388 -222420.4244 163.1983 -267283.1632 -222049.1087 163.1983 -1125.8050 -2237.7215 921491.4634 -1125.8050 -2237.7215
ENERGY: 427 19598.5313 19595.2896 5707.1504 168.7509 -335498.4314 23074.5004 0.0000 0.0000 44915.2779 -222438.9308 163.3894 -267354.2087 -222048.7336 163.3894 -741.9008 -2207.6355 921491.4634 -741.9008 -2207.6355
ENERGY: 428 20140.4226 19760.4168 5710.4629 168.5259 -336199.9846 23087.7674 0.0000 0.0000 44884.2599 -222448.1291 163.2766 -267332.3890 -222058.0544 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 22013.9875 20024.3737 5712.1700 168.1897 -338096.9200 23149.4489 0.0000 0.0000 44626.3102 -222402.4400 162.3383 -267028.7502 -222047.3909 162.3383 -2472.2458 -2268.0465 921491.4634 -2472.2458 -2268.0465
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ENERGY: 432 21768.3703 20188.6725 5710.3547 168.1086 -338651.2101 23176.0842 0.0000 0.0000 45177.9915 -222461.6284 164.3451 -267639.6199 -222065.9057 164.3451 -3350.2745 -2296.1499 921491.4634 -3350.2745 -2296.1499
ENERGY: 433 21200.9070 20275.9665 5710.3763 168.4633 -338164.0637 23162.2906 0.0000 0.0000 45192.9289 -222453.1310 164.3995 -267646.0599 -222052.5981 164.3995 -3187.3735 -2272.1278 921491.4634 -3187.3735 -2272.1278
ENERGY: 434 20730.3412 20338.1501 5711.6061 169.3247 -337394.2703 23140.7731 0.0000 0.0000 44883.1001 -222420.9750 163.2724 -267304.0751 -222051.1461 163.2724 -2694.3109 -2227.7886 921491.4634 -2694.3109 -2227.7886
ENERGY: 435 20235.2201 20362.4017 5714.0003 170.8455 -336680.6553 23123.4093 0.0000 0.0000 44675.9841 -222398.7943 162.5190 -267074.7783 -222049.5887 162.5190 -2061.3582 -2179.8952 921491.4634 -2061.3582 -2179.8952
ENERGY: 436 19670.9241 20349.9984 5717.2346 173.0864 -336303.8809 23119.9074 0.0000 0.0000 44847.0985 -222425.6316 163.1414 -267272.7300 -222059.6958 163.1414 -1520.6597 -2145.1618 921491.4634 -1520.6597 -2145.1618
ENERGY: 437 19434.5514 20329.5094 5720.9894 175.9827 -336411.9781 23136.3865 0.0000 0.0000 45159.2689 -222455.2900 164.2770 -267614.5588 -222050.7501 164.2770 -1319.1168 -2134.4849 921491.4634 -1319.1168 -2134.4849
ENERGY: 438 19935.1530 20278.6097 5724.6884 179.3848 -336899.4573 23173.5516 0.0000 0.0000 45148.1325 -222459.9372 164.2365 -267608.0697 -222051.5667 164.2365 -1493.0941 -2145.0881 921491.4634 -1493.0941 -2145.0881
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TIMING: 440 CPU: 206.679, 0.458472/step Wall: 206.679, 0.458472/step, 0.00764119 hours remaining, 3224.039062 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: 440 22071.5685 20036.2371 5729.7527 186.7202 -338123.1801 23276.2483 0.0000 0.0000 44417.5456 -222405.1077 161.5788 -266822.6533 -222059.4772 161.5788 -2408.4614 -2197.9672 921491.4634 -2408.4614 -2197.9672
ENERGY: 441 22355.5487 19860.0407 5730.3488 190.1146 -338361.1709 23313.2042 0.0000 0.0000 44502.6962 -222409.2178 161.8886 -266911.9139 -222050.0859 161.8886 -2716.1029 -2221.5314 921491.4634 -2716.1029 -2221.5314
ENERGY: 442 21853.6116 19664.5346 5729.4855 192.9411 -338090.1525 23327.1565 0.0000 0.0000 44880.6319 -222441.7912 163.2634 -267322.4231 -222049.7754 163.2634 -2710.5578 -2229.0696 921491.4634 -2710.5578 -2229.0696
ENERGY: 443 21064.3314 19487.0719 5727.6165 194.9329 -337369.3141 23320.0155 0.0000 0.0000 45118.1106 -222457.2353 164.1273 -267575.3459 -222048.5995 164.1273 -2448.1649 -2220.3531 921491.4634 -2448.1649 -2220.3531
ENERGY: 444 20449.3363 19357.2686 5725.4095 195.8735 -336464.1914 23301.5273 0.0000 0.0000 44987.7174 -222447.0588 163.6530 -267434.7762 -222057.9797 163.6530 -2090.2100 -2206.4400 921491.4634 -2090.2100 -2206.4400
ENERGY: 445 20125.5608 19307.2514 5723.6513 195.6942 -335759.3906 23283.8135 0.0000 0.0000 44708.7151 -222414.7041 162.6380 -267123.4192 -222046.5428 162.6380 -1846.9626 -2201.6926 921491.4634 -1846.9626 -2201.6926
ENERGY: 446 19947.6804 19324.9003 5722.5430 194.3235 -335494.5701 23276.0448 0.0000 0.0000 44620.2943 -222408.7839 162.3164 -267029.0782 -222046.1620 162.3164 -1800.7517 -2216.7294 921491.4634 -1800.7517 -2216.7294
ENERGY: 447 19914.2846 19416.0209 5722.2107 191.8641 -335769.4395 23282.7455 0.0000 0.0000 44816.5088 -222425.8050 163.0301 -267242.3138 -222046.8343 163.0301 -1993.3112 -2253.0604 921491.4634 -1993.3112 -2253.0604
ENERGY: 448 20187.5920 19583.6800 5722.5765 188.5554 -336503.1798 23303.8901 0.0000 0.0000 45065.6675 -222451.2184 163.9365 -267516.8859 -222059.3480 163.9365 -2372.1879 -2303.7899 921491.4634 -2372.1879 -2303.7899
ENERGY: 449 20877.4060 19832.6987 5723.5713 184.8596 -337500.9072 23334.5920 0.0000 0.0000 45101.1678 -222446.6118 164.0657 -267547.7797 -222047.7098 164.0657 -2827.1083 -2356.1408 921491.4634 -2827.1083 -2356.1408
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4855 20108.1301 5724.4776 181.0898 -338419.3252 23364.6240 0.0000 0.0000 44854.3097 -222432.2085 163.1677 -267286.5183 -222048.7860 163.1677 -3116.6759 -2394.3897 921491.4634 -3116.6759 -2394.3897
ENERGY: 451 22355.5902 20357.7257 5724.7144 177.6517 -338952.0914 23381.8004 0.0000 0.0000 44542.6990 -222411.9100 162.0341 -266954.6090 -222048.8245 162.0341 -3074.2535 -2405.7799 921491.4634 -3074.2535 -2405.7799
ENERGY: 452 22246.2014 20536.0136 5723.8953 174.8859 -338927.1544 23378.0941 0.0000 0.0000 44452.9202 -222415.1439 161.7075 -266868.0641 -222059.6370 161.7075 -2659.9607 -2384.7569 921491.4634 -2659.9607 -2384.7569
ENERGY: 453 21399.8726 20641.1313 5722.2878 173.1350 -338392.7942 23354.5905 0.0000 0.0000 44683.7039 -222418.0730 162.5470 -267101.7769 -222043.5371 162.5470 -2048.3340 -2342.4669 921491.4634 -2048.3340 -2342.4669
ENERGY: 454 20248.3382 20654.1376 5720.2217 172.3637 -337567.1423 23320.6900 0.0000 0.0000 45008.1469 -222443.2441 163.7273 -267451.3910 -222041.8391 163.7273 -1453.4579 -2293.1450 921491.4634 -1453.4579 -2293.1450
ENERGY: 455 19486.7909 20584.7123 5718.4844 172.5169 -336790.6461 23290.4023 0.0000 0.0000 45086.5791 -222451.1603 164.0126 -267537.7394 -222040.8570 164.0126 -1151.8824 -2255.8572 921491.4634 -1151.8824 -2255.8572
ENERGY: 456 19493.3722 20440.6802 5717.7556 173.4248 -336350.1084 23274.9631 0.0000 0.0000 44811.4728 -222438.4395 163.0118 -267249.9124 -222055.3486 163.0118 -1305.5004 -2245.5824 921491.4634 -1305.5004 -2245.5824
ENERGY: 457 20047.4928 20251.9436 5718.5580 174.9241 -336395.8171 23277.8275 0.0000 0.0000 44521.8708 -222403.2003 161.9583 -266925.0711 -222049.4133 161.9583 -1906.4165 -2263.5014 921491.4634 -1906.4165 -2263.5014
ENERGY: 458 20585.8435 20019.2723 5720.7061 176.6081 -336835.0964 23294.7174 0.0000 0.0000 44632.7891 -222405.1599 162.3618 -267037.9490 -222051.2822 162.3618 -2684.6987 -2301.0428 921491.4634 -2684.6987 -2301.0428
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TIMING: 460 CPU: 215.841, 0.458098/step Wall: 215.841, 0.458098/step, 0.00508998 hours remaining, 3224.039062 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
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ENERGY: 462 22264.2255 19487.8104 5736.4822 180.9531 -337988.7168 23351.1089 0.0000 0.0000 44559.9294 -222408.2073 162.0968 -266968.1366 -222056.7212 162.0968 -2954.8200 -2323.4250 921491.4634 -2954.8200 -2323.4250
ENERGY: 463 21821.1792 19513.9010 5738.9361 181.1160 -337284.1027 23326.9481 0.0000 0.0000 44313.4572 -222388.5650 161.2002 -266702.0222 -222054.6240 161.2002 -2012.4424 -2264.0778 921491.4634 -2012.4424 -2264.0778
ENERGY: 464 20535.2461 19559.9267 5739.2518 181.0096 -336389.3842 23291.1946 0.0000 0.0000 44654.0267 -222428.7286 162.4391 -267082.7553 -222058.5730 162.4391 -1050.9227 -2205.5269 921491.4634 -1050.9227 -2205.5269
ENERGY: 465 19322.7827 19631.8850 5737.2899 180.7155 -335701.1537 23259.7396 0.0000 0.0000 45094.5689 -222474.1721 164.0416 -267568.7410 -222052.9389 164.0416 -512.3346 -2174.4008 921491.4634 -512.3346 -2174.4008
ENERGY: 466 19088.4509 19708.3578 5733.2107 180.2808 -335443.7730 23245.0610 0.0000 0.0000 45020.7911 -222467.6207 163.7733 -267488.4119 -222052.9786 163.7733 -630.3313 -2182.6710 921491.4634 -630.3313 -2182.6710
ENERGY: 467 19841.8069 19783.1741 5727.6704 179.7757 -335721.0958 23249.4536 0.0000 0.0000 44523.6669 -222415.5484 161.9649 -266939.2152 -222054.3496 161.9649 -1393.6029 -2232.5924 921491.4634 -1393.6029 -2232.5924
ENERGY: 468 20761.8483 19845.4942 5721.5089 179.2779 -336451.5676 23265.8132 0.0000 0.0000 44291.6587 -222385.9663 161.1209 -266677.6251 -222056.3591 161.1209 -2508.6714 -2314.1340 921491.4634 -2508.6714 -2314.1340
ENERGY: 469 21236.3018 19910.2023 5715.6824 178.8504 -337458.3214 23284.3969 0.0000 0.0000 44720.3204 -222412.5673 162.6802 -267132.8877 -222046.0750 162.6802 -3596.7406 -2405.7972 921491.4634 -3596.7406 -2405.7972
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1733 19972.8937 5710.9491 178.5947 -338383.2522 23297.0680 0.0000 0.0000 45346.4577 -222466.1157 164.9579 -267812.5734 -222047.6089 164.9579 -4259.6996 -2477.6831 921491.4634 -4259.6996 -2477.6831
ENERGY: 471 21732.8678 20054.6839 5707.9626 178.5890 -338913.2468 23297.5093 0.0000 0.0000 45471.3370 -222470.2971 165.4122 -267941.6341 -222047.5360 165.4122 -4290.5684 -2504.3175 921491.4634 -4290.5684 -2504.3175
ENERGY: 472 22081.2361 20161.5556 5707.0091 178.9047 -338870.6780 23279.4500 0.0000 0.0000 45028.5300 -222433.9927 163.8014 -267462.5226 -222059.5055 163.8014 -3659.7360 -2479.9182 921491.4634 -3659.7360 -2479.9182
ENERGY: 473 21866.1364 20289.3430 5707.9843 179.6165 -338307.7204 23240.7372 0.0000 0.0000 44634.5174 -222389.3856 162.3681 -267023.9030 -222043.8536 162.3681 -2556.3614 -2408.1656 921491.4634 -2556.3614 -2408.1656
ENERGY: 474 20842.9706 20372.0989 5710.2160 180.7466 -337438.4564 23189.2357 0.0000 0.0000 44733.2306 -222409.9578 162.7272 -267143.1884 -222041.2617 162.7272 -1295.5522 -2316.2726 921491.4634 -1295.5522 -2316.2726
ENERGY: 475 19674.2080 20371.7676 5712.9876 182.2512 -336604.2323 23142.3827 0.0000 0.0000 45070.2138 -222450.4213 163.9531 -267520.6351 -222039.4527 163.9531 -344.6446 -2232.2124 921491.4634 -344.6446 -2232.2124
ENERGY: 476 19235.7860 20282.0275 5715.7683 184.0125 -336100.0912 23115.8476 0.0000 0.0000 45106.0633 -222460.5860 164.0835 -267566.6493 -222053.6136 164.0835 -92.4046 -2183.0650 921491.4634 -92.4046 -2183.0650
ENERGY: 477 19704.7248 20145.9813 5718.4976 185.9230 -336101.8796 23114.2949 0.0000 0.0000 44812.3206 -222420.1373 163.0149 -267232.4580 -222044.8410 163.0149 -667.4942 -2171.8226 921491.4634 -667.4942 -2171.8226
ENERGY: 478 20493.4776 19974.7637 5721.0254 187.7262 -336537.4039 23131.2469 0.0000 0.0000 44627.0328 -222402.1313 162.3409 -267029.1641 -222047.4105 162.3409 -1807.1601 -2198.7953 921491.4634 -1807.1601 -2198.7953
ENERGY: 479 21125.3058 19793.3954 5723.3295 189.2099 -337215.5838 23156.6780 0.0000 0.0000 44802.1571 -222425.5081 162.9779 -267227.6652 -222050.5458 162.9779 -3089.8513 -2246.7914 921491.4634 -3089.8513 -2246.7914
TIMING: 480 CPU: 225.005, 0.458216/step Wall: 225.005, 0.458216/step, 0.00254564 hours remaining, 3224.039062 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: 480 21624.0326 19623.1962 5725.3111 190.1901 -337854.6780 23181.5126 0.0000 0.0000 45051.6808 -222458.7548 163.8856 -267510.4355 -222064.6207 163.8856 -4077.7325 -2291.4889 921491.4634 -4077.7325 -2291.4889
ENERGY: 481 22092.4852 19510.0430 5727.0953 190.6351 -338199.2473 23196.7966 0.0000 0.0000 45041.3361 -222440.8560 163.8480 -267482.1921 -222052.5263 163.8480 -4466.2392 -2305.6730 921491.4634 -4466.2392 -2305.6730
ENERGY: 482 22186.3467 19466.6790 5728.4964 190.3598 -338044.5409 23192.7481 0.0000 0.0000 44865.8512 -222414.0598 163.2096 -267279.9109 -222051.4110 163.2096 -4059.3096 -2278.0612 921491.4634 -4059.3096 -2278.0612
ENERGY: 483 21553.1414 19511.5741 5729.5661 189.3227 -337426.2175 23165.8747 0.0000 0.0000 44861.8960 -222414.8427 163.1952 -267276.7386 -222048.7669 163.1952 -2964.1720 -2216.4113 921491.4634 -2964.1720 -2216.4113
ENERGY: 484 20460.8927 19631.1935 5730.2465 187.5455 -336590.8879 23126.1357 0.0000 0.0000 45003.6022 -222451.2718 163.7107 -267454.8740 -222059.8743 163.7107 -1565.2423 -2143.1849 921491.4634 -1565.2423 -2143.1849
ENERGY: 485 19688.7721 19800.2987 5730.5256 185.2458 -335902.5860 23092.8476 0.0000 0.0000 44955.5717 -222449.3246 163.5360 -267404.8963 -222045.9606 163.5360 -422.1568 -2086.8735 921491.4634 -422.1568 -2086.8735
ENERGY: 486 19602.5426 19954.8172 5729.7198 182.4662 -335612.3562 23080.3812 0.0000 0.0000 44645.9110 -222416.5182 162.4096 -267062.4291 -222044.6761 162.4096 87.3182 -2070.0982 921491.4634 87.3182 -2070.0982
ENERGY: 487 19881.0924 20072.0210 5727.4348 179.4360 -335846.4476 23091.0548 0.0000 0.0000 44503.3486 -222392.0600 161.8910 -266895.4086 -222045.2407 161.8910 -192.2345 -2106.8840 921491.4634 -192.2345 -2106.8840
ENERGY: 488 20125.2098 20156.1360 5723.5441 176.4338 -336552.5447 23118.8619 0.0000 0.0000 44827.0549 -222425.3041 163.0685 -267252.3590 -222057.1938 163.0685 -1145.7534 -2194.6680 921491.4634 -1145.7534 -2194.6680
ENERGY: 489 20526.8872 20236.4609 5718.5749 173.8639 -337540.4651 23156.7312 0.0000 0.0000 45266.0997 -222461.8473 164.6656 -267727.9469 -222045.6085 164.6656 -2511.2406 -2316.7067 921491.4634 -2511.2406 -2316.7067
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7489 20292.9024 5712.8913 171.8438 -338458.1358 23196.4879 0.0000 0.0000 45213.5623 -222459.6993 164.4745 -267673.2616 -222048.2207 164.4745 -3823.4041 -2437.4155 921491.4634 -3823.4041 -2437.4155
ENERGY: 491 22430.4638 20312.1364 5707.3795 170.5404 -338984.5792 23226.0938 0.0000 0.0000 44733.0084 -222404.9568 162.7264 -267137.9653 -222049.4638 162.7264 -4629.6936 -2524.6216 921491.4634 -4629.6936 -2524.6216
ENERGY: 492 22612.9546 20289.6816 5702.9945 170.0208 -338937.5814 23232.7205 0.0000 0.0000 44542.1946 -222387.0149 162.0323 -266929.2095 -222060.3859 162.0323 -4606.8525 -2557.4730 921491.4634 -4606.8525 -2557.4730
ENERGY: 493 21558.2187 20260.7379 5700.7779 170.3201 -338358.0632 23214.0536 0.0000 0.0000 45033.8225 -222420.1324 163.8207 -267453.9549 -222046.5899 163.8207 -3796.3819 -2540.0997 921491.4634 -3796.3819 -2540.0997
ENERGY: 494 20068.3365 20225.0266 5700.9806 171.2193 -337454.3834 23183.0794 0.0000 0.0000 45622.2472 -222483.4937 165.9612 -268105.7410 -222044.0866 165.9612 -2500.8992 -2482.1069 921491.4634 -2500.8992 -2482.1069
ENERGY: 495 19383.2461 20186.8305 5703.5926 172.5416 -336566.9885 23159.4623 0.0000 0.0000 45484.1230 -222477.1923 165.4587 -267961.3154 -222041.5562 165.4587 -1249.6836 -2407.3057 921491.4634 -1249.6836 -2407.3057
ENERGY: 496 19722.4831 20130.6475 5708.0351 174.0933 -335998.7152 23154.2634 0.0000 0.0000 44699.5271 -222409.6658 162.6046 -267109.1929 -222049.0668 162.6046 -478.8995 -2343.4751 921491.4634 -478.8995 -2343.4751
ENERGY: 497 20212.6666 20059.9177 5713.4613 175.7242 -335952.5039 23166.3543 0.0000 0.0000 44261.0290 -222363.3508 161.0095 -266624.3798 -222042.7498 161.0095 -421.0231 -2316.7928 921491.4634 -421.0231 -2316.7928
ENERGY: 498 20182.0166 19957.1215 5718.5597 177.2604 -336366.4931 23189.3582 0.0000 0.0000 44728.2536 -222413.9231 162.7091 -267142.1768 -222044.5218 162.7091 -993.4680 -2331.6473 921491.4634 -993.4680 -2331.6473
ENERGY: 499 20158.0680 19847.7306 5722.4090 178.6361 -337058.4823 23219.2401 0.0000 0.0000 45439.2647 -222493.1337 165.2956 -267932.3984 -222047.2060 165.2956 -2020.8690 -2376.3391 921491.4634 -2020.8690 -2376.3391
Info: Benchmark time: 4 CPUs 0.457616 s/step 5.29648 days/ns 3224.04 MB memory
TIMING: 500 CPU: 234.093, 0.454388/step Wall: 234.093, 0.454388/step, 0 hours remaining, 3224.039062 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: 500 20974.8939 19756.6580 5724.4523 179.8271 -337741.4194 23251.1005 0.0000 0.0000 45359.0783 -222495.4092 165.0039 -267854.4875 -222061.0910 165.0039 -3197.5171 -2425.4143 921491.4634 -3197.5171 -2425.4143
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, 3229.488 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.488 MB of memory in use
====================================================
WallClock: 240.918732 CPUTime: 240.918732 Memory: 3229.488281 MB
[Partition 0][Node 0] End of program
Application 102581375 resources: utime ~947s, stime ~19s, Rss ~126852, inblocks ~67176, outblocks ~72238
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins5816613730520443610.sh
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/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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