Skipping 720 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 ============== 54.2646
LDB: Largest compute 200 load 0.429643 is 1.2% of average load 36.760635
LDB: Average compute 0.051494 is 0.1% of average load 36.760635
LDB: Partitioning computes with target load 3.676063
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055535
LDB: ============== END OF LOAD BALANCING =============== 54.2668
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2676
Info: Initial time: 4 CPUs 0.473138 s/step 5.47613 days/ns 3221.6 MB memory
TIMING: 100 CPU: 48.2859, 0.472338/step Wall: 48.2859, 0.472338/step, 0.052482 hours remaining, 3221.597656 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 ============== 63.6933
LDB: ============== END OF LOAD BALANCING =============== 63.6934
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.6939
TIMING: 120 CPU: 57.7087, 0.471143/step Wall: 57.7087, 0.471143/step, 0.0497317 hours remaining, 3221.796875 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: 130 21553.6088 18898.7761 5736.4508 185.0194 -334776.0136 21118.0422 0.0000 0.0000 44811.1497 -222472.9667 163.0106 -267284.1164 -222216.5364 163.0106 -5536.0556 -2842.3154 921491.4634 -5536.0556 -2842.3154
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ENERGY: 133 21569.7010 21939.4305 5759.4053 191.1377 -334187.7138 21049.8506 0.0000 0.0000 41346.5716 -222331.6173 150.4075 -263678.1888 -222209.0243 150.4075 -2436.6192 -2806.2333 921491.4634 -2436.6192 -2806.2333
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ENERGY: 138 21874.8525 19195.4801 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9639 -222340.8740 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: 67.1317, 0.47115/step Wall: 67.1317, 0.47115/step, 0.047115 hours remaining, 3222.011719 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 20992.5977 17997.1577 5722.1741 192.2140 -333726.9442 21127.4061 0.0000 0.0000 45144.2514 -222551.1433 164.2224 -267695.3946 -222224.0361 164.2224 -5617.7627 -3080.3638 921491.4634 -5617.7627 -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 21015.8993 19956.3834 5767.3089 192.0924 -334899.3755 20845.5771 0.0000 0.0000 44606.5898 -222515.5246 162.2665 -267122.1144 -222153.2667 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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TIMING: 160 CPU: 76.5375, 0.470289/step Wall: 76.5375, 0.470289/step, 0.0444162 hours remaining, 3222.160156 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: 176 19195.1039 18891.7629 5743.5896 160.0071 -332124.2127 20943.2096 0.0000 0.0000 44722.5120 -222468.0276 162.6882 -267190.5396 -222127.3368 162.6882 -2658.3220 -2727.5043 921491.4634 -2658.3220 -2727.5043
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ENERGY: 178 21917.7899 18733.9559 5737.6245 154.5770 -332975.2975 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
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TIMING: 180 CPU: 85.9311, 0.469682/step Wall: 85.9311, 0.469682/step, 0.0417495 hours remaining, 3222.300781 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: 186 19266.0406 19234.9570 5686.4352 181.9571 -332240.0939 21043.7460 0.0000 0.0000 44391.5887 -222435.3692 161.4844 -266826.9579 -222129.2889 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1128 21076.9265 0.0000 0.0000 42449.0056 -222222.0802 154.4178 -264671.0858 -222130.9081 154.4178 -3641.8535 -2802.0866 921491.4634 -3641.8535 -2802.0866
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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 ============== 101.313
LDB: Largest compute 200 load 0.425263 is 1.2% of average load 36.579821
LDB: Average compute 0.051235 is 0.1% of average load 36.579821
LDB: TIME 101.315 LOAD: AVG 36.5798 MAX 37.6195 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.64 MB
LDB: TIME 101.318 LOAD: AVG 36.5798 MAX 37.5154 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.64 MB
LDB: ============== END OF LOAD BALANCING =============== 101.319
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.323
Info: Initial time: 4 CPUs 0.470377 s/step 5.44418 days/ns 3223.84 MB memory
TIMING: 200 CPU: 95.3335, 0.470119/step Wall: 95.3335, 0.470119/step, 0.0391766 hours remaining, 3223.843750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6837 18595.6350 5711.8747 190.0258 -334670.2811 21209.9248 0.0000 0.0000 45319.1600 -222569.9771 164.8586 -267889.1371 -222114.5244 164.8586 -5241.8524 -2703.6812 921491.4634 -5241.8524 -2703.6812
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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 -2512.4435 921491.4634 -1046.8258 -2512.4435
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ENERGY: 208 20293.2702 20371.8902 5718.1572 182.8654 -334789.2375 21322.2410 0.0000 0.0000 44428.6272 -222472.1863 161.6191 -266900.8135 -222122.6312 161.6191 -3669.0641 -2719.7951 921491.4634 -3669.0641 -2719.7951
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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 21385.1736 20194.2567 5705.3139 178.4614 -336615.7766 21385.1096 0.0000 0.0000 45251.4335 -222516.0279 164.6123 -267767.4614 -222108.2014 164.6123 -6091.3662 -2896.2626 921491.4634 -6091.3662 -2896.2626
ENERGY: 211 24099.1930 19985.8631 5704.9373 176.9105 -336667.8926 21415.1477 0.0000 0.0000 43031.7285 -222254.1126 156.5376 -265285.8411 -222106.8539 156.5376 -5900.2977 -2885.1009 921491.4634 -5900.2977 -2885.1009
ENERGY: 212 23739.2711 19730.8221 5710.0295 176.0352 -336013.6227 21412.5983 0.0000 0.0000 42995.1639 -222249.7025 156.4046 -265244.8664 -222104.2317 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2161 19524.5248 5720.1722 175.9508 -334874.6443 21380.5552 0.0000 0.0000 45418.7807 -222504.4445 165.2210 -267923.2253 -222097.3833 165.2210 -2174.3117 -2725.0840 921491.4634 -2174.3117 -2725.0840
ENERGY: 214 17315.5530 19421.7448 5733.3059 176.6827 -333645.3936 21358.4486 0.0000 0.0000 46958.4703 -222681.1883 170.8220 -269639.6586 -222093.7405 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5057 19441.9744 5746.5772 178.1492 -332787.3322 21379.5596 0.0000 0.0000 45302.6745 -222527.8915 164.7987 -267830.5660 -222091.0445 164.7987 784.0015 -2554.0367 921491.4634 784.0015 -2554.0367
ENERGY: 216 20973.4718 19522.5062 5756.9571 180.1770 -332560.1061 21436.4836 0.0000 0.0000 42442.1787 -222248.3316 154.3930 -264690.5103 -222073.6155 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3867 19581.4821 5762.2416 182.5517 -333010.6757 21497.2706 0.0000 0.0000 41983.6750 -222225.0681 152.7251 -264208.7432 -222064.4463 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9156 19540.0891 5761.2415 184.9927 -333856.1147 21546.6561 0.0000 0.0000 44178.6837 -222478.5359 160.7099 -266657.2196 -222068.8153 160.7099 -2628.0651 -2703.9746 921491.4634 -2628.0651 -2703.9746
ENERGY: 219 19429.8640 19413.3932 5754.3577 187.2447 -334778.0708 21596.8809 0.0000 0.0000 45751.9298 -222644.4006 166.4329 -268396.3304 -222073.1718 166.4329 -4457.7331 -2810.5236 921491.4634 -4457.7331 -2810.5236
TIMING: 220 CPU: 104.744, 0.470524/step Wall: 104.744, 0.470524/step, 0.0365963 hours remaining, 3223.843750 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: 220 21580.9146 19260.1136 5743.1672 189.1021 -335473.8432 21655.3184 0.0000 0.0000 44539.5738 -222505.6534 162.0227 -267045.2273 -222092.6288 162.0227 -5898.3511 -2876.6576 921491.4634 -5898.3511 -2876.6576
ENERGY: 221 24234.7393 19146.8279 5730.1601 190.4777 -335718.7275 21699.4244 0.0000 0.0000 42467.0189 -222250.0792 154.4833 -264717.0981 -222077.7834 154.4833 -6342.7097 -2884.3551 921491.4634 -6342.7097 -2884.3551
ENERGY: 222 23735.1224 19085.7308 5717.7679 191.2893 -335388.9914 21700.3077 0.0000 0.0000 42702.0390 -222256.7342 155.3383 -264958.7733 -222075.6637 155.3383 -5368.7278 -2838.7016 921491.4634 -5368.7278 -2838.7016
ENERGY: 223 20286.4336 19110.8426 5708.3528 191.5579 -334633.3913 21665.5242 0.0000 0.0000 45168.7534 -222501.9269 164.3115 -267670.6802 -222072.2456 164.3115 -3322.8075 -2753.9474 921491.4634 -3322.8075 -2753.9474
ENERGY: 224 17721.9818 19276.3017 5703.4616 191.3517 -333831.1560 21637.4893 0.0000 0.0000 46650.8782 -222649.6917 169.7031 -269300.5699 -222098.2847 169.7031 -1151.0969 -2650.6854 921491.4634 -1151.0969 -2650.6854
ENERGY: 225 18451.5610 19639.7348 5703.5482 190.8347 -333424.4648 21647.4588 0.0000 0.0000 45301.5805 -222489.7469 164.7947 -267791.3274 -222079.9380 164.7947 226.2573 -2563.9719 921491.4634 226.2573 -2563.9719
ENERGY: 226 20569.7733 20147.6374 5707.2430 190.0457 -333606.5694 21686.9381 0.0000 0.0000 43034.1677 -222270.7644 156.5465 -265304.9321 -222078.6804 156.5465 530.9033 -2526.3323 921491.4634 530.9033 -2526.3323
ENERGY: 227 21011.1675 20670.4531 5712.3895 189.0769 -334317.7220 21728.2284 0.0000 0.0000 42721.7945 -222284.6120 155.4101 -265006.4065 -222080.2098 155.4101 -104.6488 -2553.6074 921491.4634 -104.6488 -2553.6074
ENERGY: 228 19866.2927 21035.8343 5716.6482 188.0081 -335312.4264 21761.2923 0.0000 0.0000 44242.5386 -222501.8122 160.9422 -266744.3508 -222102.7891 160.9422 -1440.0181 -2625.9673 921491.4634 -1440.0181 -2625.9673
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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: 230 21999.2458 20926.2537 5717.1889 185.9786 -336838.6563 21834.6450 0.0000 0.0000 43751.0551 -222424.2892 159.1543 -266175.3443 -222088.6907 159.1543 -4902.3780 -2766.0557 921491.4634 -4902.3780 -2766.0557
ENERGY: 231 23806.6620 20470.3272 5713.0793 184.9073 -336794.0751 21849.7233 0.0000 0.0000 42506.4014 -222262.9745 154.6266 -264769.3760 -222089.4820 154.6266 -5730.6843 -2773.7615 921491.4634 -5730.6843 -2773.7615
ENERGY: 232 22812.6532 19886.6601 5707.7133 183.7520 -336072.1016 21820.0135 0.0000 0.0000 43315.5694 -222345.7401 157.5701 -265661.3095 -222098.2754 157.5701 -5301.5938 -2731.4986 921491.4634 -5301.5938 -2731.4986
ENERGY: 233 20035.6404 19318.2043 5703.4910 182.6157 -334889.2832 21760.7376 0.0000 0.0000 45350.0989 -222538.4952 164.9712 -267888.5942 -222089.6821 164.9712 -3899.2117 -2646.7386 921491.4634 -3899.2117 -2646.7386
ENERGY: 234 18553.6067 18856.0076 5702.3325 181.3395 -333642.4874 21712.9298 0.0000 0.0000 46049.0874 -222587.1839 167.5139 -268636.2713 -222086.3329 167.5139 -2187.7193 -2534.9736 921491.4634 -2187.7193 -2534.9736
ENERGY: 235 19419.0966 18603.4161 5705.8180 179.9133 -332789.1751 21702.6096 0.0000 0.0000 44750.4958 -222427.8257 162.7900 -267178.3215 -222083.1203 162.7900 -820.1736 -2429.4349 921491.4634 -820.1736 -2429.4349
ENERGY: 236 20566.0778 18629.1001 5714.2865 178.3391 -332585.8849 21721.5012 0.0000 0.0000 43477.4014 -222299.1788 158.1588 -265776.5802 -222073.0120 158.1588 -108.6482 -2371.7044 921491.4634 -108.6482 -2371.7044
ENERGY: 237 20196.0057 18940.2031 5726.8243 176.7459 -333068.3187 21749.0156 0.0000 0.0000 43898.3781 -222381.1460 159.6902 -266279.5242 -222063.3606 159.6902 -172.1587 -2373.2012 921491.4634 -172.1587 -2373.2012
ENERGY: 238 19419.4412 19404.0885 5740.6977 175.0128 -333964.3154 21778.9043 0.0000 0.0000 44901.2439 -222544.9271 163.3384 -267446.1710 -222065.9779 163.3384 -987.6013 -2425.5310 921491.4634 -987.6013 -2425.5310
ENERGY: 239 20428.8617 19846.5440 5752.8836 173.1946 -334966.8380 21816.7508 0.0000 0.0000 44416.4635 -222532.1398 161.5749 -266948.6033 -222068.9826 161.5749 -2385.1781 -2499.0796 921491.4634 -2385.1781 -2499.0796
TIMING: 240 CPU: 114.149, 0.470275/step Wall: 114.149, 0.470275/step, 0.0339643 hours remaining, 3223.843750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 240 22861.0422 20119.9135 5760.6909 171.4213 -335766.3627 21854.4253 0.0000 0.0000 42641.4775 -222357.3919 155.1180 -264998.8695 -222074.0953 155.1180 -3844.9086 -2568.3896 921491.4634 -3844.9086 -2568.3896
ENERGY: 241 23920.0054 20195.4873 5762.7124 169.9828 -336129.3253 21865.1032 0.0000 0.0000 41957.8936 -222258.1407 152.6313 -264216.0342 -222063.9158 152.6313 -4724.4493 -2616.3454 921491.4634 -4724.4493 -2616.3454
ENERGY: 242 22110.7717 20111.8208 5758.5347 169.0441 -335904.8196 21831.0567 0.0000 0.0000 43526.8721 -222396.7195 158.3388 -265923.5916 -222063.5736 158.3388 -4623.1690 -2633.0914 921491.4634 -4623.1690 -2633.0914
ENERGY: 243 19462.3620 19969.6445 5749.3614 168.8705 -335233.7068 21770.4748 0.0000 0.0000 45537.0691 -222575.9245 165.6513 -268112.9936 -222061.6674 165.6513 -3760.4506 -2614.6993 921491.4634 -3760.4506 -2614.6993
ENERGY: 244 18822.2465 19849.3933 5737.4544 169.6534 -334482.6009 21720.5676 0.0000 0.0000 45629.1662 -222554.1194 165.9864 -268183.2856 -222078.7770 165.9864 -2667.7299 -2573.2150 921491.4634 -2667.7299 -2573.2150
ENERGY: 245 20148.2370 19811.7598 5725.7784 171.4559 -334087.5945 21701.2470 0.0000 0.0000 44168.5247 -222360.5917 160.6730 -266529.1164 -222068.6365 160.6730 -1771.6901 -2533.5455 921491.4634 -1771.6901 -2533.5455
ENERGY: 246 20878.5481 19853.7023 5716.8932 174.1558 -334213.1204 21705.0850 0.0000 0.0000 43600.4182 -222284.3178 158.6063 -265884.7360 -222067.4295 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5286 19979.6439 5712.7400 177.5412 -334802.1840 21719.8454 0.0000 0.0000 44912.1913 -222431.6937 163.3782 -267343.8849 -222068.1393 163.3782 -983.0000 -2552.5931 921491.4634 -983.0000 -2552.5931
ENERGY: 248 19035.4924 20164.4295 5713.8450 181.3144 -335623.1352 21746.4311 0.0000 0.0000 46185.9363 -222595.6866 168.0117 -268781.6229 -222090.3128 168.0117 -1359.1246 -2608.3066 921491.4634 -1359.1246 -2608.3066
ENERGY: 249 20484.3306 20353.6192 5719.1623 185.0800 -336433.0066 21788.9033 0.0000 0.0000 45370.8152 -222531.0960 165.0466 -267901.9111 -222082.9712 165.0466 -2308.0286 -2671.2386 921491.4634 -2308.0286 -2671.2386
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 250 23155.2058 20422.5255 5726.1009 188.5682 -336907.4408 21832.9289 0.0000 0.0000 43252.1658 -222329.9458 157.3395 -265582.1116 -222084.2879 157.3395 -3365.2095 -2722.3880 921491.4634 -3365.2095 -2722.3880
ENERGY: 251 24002.1399 20302.5995 5731.6572 191.5295 -336816.8447 21849.8673 0.0000 0.0000 42475.2392 -222263.8121 154.5132 -264739.0513 -222084.8990 154.5132 -3958.0339 -2753.0723 921491.4634 -3958.0339 -2753.0723
ENERGY: 252 21994.9042 20013.1598 5733.2541 193.8023 -336093.2676 21826.9295 0.0000 0.0000 43905.3721 -222425.8456 159.7157 -266331.2177 -222091.3305 159.7157 -3843.4682 -2758.0339 921491.4634 -3843.4682 -2758.0339
ENERGY: 253 19499.8638 19667.1121 5729.5496 195.2411 -334977.1806 21784.0536 0.0000 0.0000 45520.0192 -222581.3412 165.5893 -268101.3604 -222082.7205 165.5893 -3300.1273 -2735.8132 921491.4634 -3300.1273 -2735.8132
ENERGY: 254 19073.0883 19348.2295 5720.5008 195.9622 -333839.8798 21752.6524 0.0000 0.0000 45220.9195 -222528.5271 164.5013 -267749.4466 -222080.4686 164.5013 -2707.1337 -2696.1701 921491.4634 -2707.1337 -2696.1701
ENERGY: 255 20324.2313 19109.4101 5707.6062 196.0620 -333099.9233 21746.1515 0.0000 0.0000 43667.4211 -222349.0410 158.8501 -266016.4621 -222078.3975 158.8501 -2282.5425 -2662.7814 921491.4634 -2282.5425 -2662.7814
ENERGY: 256 20899.4410 18950.9578 5693.4518 195.6570 -332975.5973 21757.6847 0.0000 0.0000 43181.1612 -222297.2437 157.0812 -265478.4050 -222071.2739 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5653 18878.1874 5681.1759 194.7976 -333481.0040 21780.2419 0.0000 0.0000 44488.5469 -222428.4890 161.8371 -266917.0360 -222060.1683 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5867 18882.0667 5673.2911 193.6684 -334373.1545 21817.5077 0.0000 0.0000 45796.2579 -222556.7761 166.5942 -268353.0340 -222062.0607 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
ENERGY: 259 20717.7709 18984.1029 5671.3007 192.3773 -335369.5278 21871.0066 0.0000 0.0000 45431.1555 -222501.8138 165.2661 -267932.9693 -222063.7306 165.2661 -2890.3670 -2780.4961 921491.4634 -2890.3670 -2780.4961
TIMING: 260 CPU: 123.547, 0.469861/step Wall: 123.547, 0.469861/step, 0.0313241 hours remaining, 3223.843750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 260 22744.9544 19188.2463 5675.1875 191.0393 -336169.7728 21924.7893 0.0000 0.0000 44083.4305 -222362.1255 160.3634 -266445.5560 -222069.6811 160.3634 -3407.4793 -2810.9878 921491.4634 -3407.4793 -2810.9878
ENERGY: 261 23215.5573 19485.4656 5683.6413 189.7700 -336523.9799 21953.3902 0.0000 0.0000 43676.0234 -222320.1322 158.8814 -265996.1556 -222052.8235 158.8814 -3555.3694 -2822.8648 921491.4634 -3555.3694 -2822.8648
ENERGY: 262 21606.2724 19814.6778 5694.0655 188.7122 -336291.7859 21947.6074 0.0000 0.0000 44601.6347 -222438.8159 162.2485 -267040.4506 -222052.4321 162.2485 -3214.7560 -2810.4637 921491.4634 -3214.7560 -2810.4637
ENERGY: 263 19781.1229 20140.5622 5703.8103 187.9445 -335614.9713 21924.4740 0.0000 0.0000 45349.7772 -222527.2803 164.9700 -267877.0574 -222051.1546 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2261 20436.4305 5710.6950 187.5052 -334855.9512 21907.7772 0.0000 0.0000 44751.4784 -222476.8388 162.7936 -267228.3171 -222069.1982 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
ENERGY: 265 19946.8416 20681.9925 5713.6241 187.4392 -334395.6632 21906.0163 0.0000 0.0000 43607.6374 -222352.1120 158.6326 -265959.7494 -222054.3371 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7899 20788.8700 5712.1327 187.6137 -334399.4577 21914.4805 0.0000 0.0000 43399.3797 -222348.1911 157.8750 -265747.5709 -222054.3634 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0905 20691.2678 5707.0583 187.8501 -334831.4855 21930.8374 0.0000 0.0000 44220.2169 -222446.1645 160.8610 -266666.3815 -222055.6584 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9161 20375.7515 5700.1930 187.9286 -335513.7448 21959.1257 0.0000 0.0000 44823.5377 -222504.2923 163.0557 -267327.8300 -222075.9874 163.0557 -2903.2124 -2658.6181 921491.4634 -2903.2124 -2658.6181
ENERGY: 269 21396.7814 19927.1701 5694.0390 187.7639 -336221.0660 21997.2160 0.0000 0.0000 44586.5098 -222431.5857 162.1935 -267018.0955 -222066.1972 162.1935 -3401.4128 -2647.2949 921491.4634 -3401.4128 -2647.2949
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 22028.8071 0.0000 0.0000 44308.0075 -222365.2737 161.1804 -266673.2812 -222067.0433 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
ENERGY: 271 22345.5823 19078.8064 5690.0209 186.1610 -336571.7891 22035.2501 0.0000 0.0000 44829.4473 -222406.5210 163.0772 -267235.9684 -222066.8385 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5584 18896.0660 5692.8269 184.9335 -335921.4613 22015.0580 0.0000 0.0000 45607.7077 -222503.3108 165.9083 -268111.0185 -222081.1570 165.9083 -2551.9684 -2501.8804 921491.4634 -2551.9684 -2501.8804
ENERGY: 273 20123.2137 18932.9079 5697.5117 183.8526 -334925.7011 21985.5296 0.0000 0.0000 45502.7162 -222499.9693 165.5264 -268002.6855 -222069.0457 165.5264 -1837.1975 -2434.6760 921491.4634 -1837.1975 -2434.6760
ENERGY: 274 20074.7418 19121.4861 5701.6806 183.0070 -333931.6257 21965.2977 0.0000 0.0000 44478.5176 -222406.8950 161.8006 -266885.4126 -222066.8026 161.8006 -1366.5213 -2384.6634 921491.4634 -1366.5213 -2384.6634
ENERGY: 275 20005.4318 19374.0679 5703.3424 182.5376 -333318.5603 21960.8300 0.0000 0.0000 43741.9684 -222350.3822 159.1213 -266092.3506 -222065.7690 159.1213 -1269.7931 -2374.8869 921491.4634 -1269.7931 -2374.8869
ENERGY: 276 19401.8502 19594.7507 5701.2546 182.4904 -333292.1281 21971.0410 0.0000 0.0000 44028.5273 -222412.2139 160.1637 -266440.7412 -222072.9393 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2972 19724.7159 5695.5210 182.9396 -333864.3454 21997.2387 0.0000 0.0000 44632.8114 -222481.8216 162.3619 -267114.6330 -222061.0986 162.3619 -2311.7544 -2498.0544 921491.4634 -2311.7544 -2498.0544
ENERGY: 278 20199.4577 19713.7759 5686.9122 183.6585 -334821.1004 22041.3359 0.0000 0.0000 44532.2541 -222463.7060 161.9961 -266995.9601 -222063.4129 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3650 19593.9431 5677.5176 184.5187 -335888.5801 22096.4200 0.0000 0.0000 43975.0880 -222376.7277 159.9693 -266351.8158 -222065.2022 159.9693 -4044.3212 -2682.8389 921491.4634 -4044.3212 -2682.8389
TIMING: 280 CPU: 132.925, 0.468899/step Wall: 132.925, 0.468899/step, 0.0286549 hours remaining, 3223.843750 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: 280 22859.3231 19458.4366 5670.0026 185.3899 -336752.6632 22145.1355 0.0000 0.0000 44066.7339 -222367.6416 160.3027 -266434.3755 -222073.4244 160.3027 -4286.3893 -2748.0546 921491.4634 -4286.3893 -2748.0546
ENERGY: 281 22172.5959 19445.1183 5667.0588 186.2206 -337154.6803 22172.1192 0.0000 0.0000 45063.2424 -222448.3250 163.9277 -267511.5674 -222064.8516 163.9277 -3881.2951 -2782.5902 921491.4634 -3881.2951 -2782.5902
ENERGY: 282 20943.7898 19615.5379 5669.9796 186.8360 -336942.5034 22176.7655 0.0000 0.0000 45823.3371 -222526.2575 166.6927 -268349.5946 -222063.3313 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
ENERGY: 283 20432.1061 19966.6615 5678.8137 187.1634 -336251.9201 22171.0649 0.0000 0.0000 45328.8521 -222487.2584 164.8939 -267816.1105 -222060.8457 164.8939 -2008.7736 -2748.2306 921491.4634 -2008.7736 -2748.2306
ENERGY: 284 20506.4000 20401.8822 5692.0830 187.1346 -335412.6301 22166.2910 0.0000 0.0000 44071.4480 -222387.3913 160.3198 -266458.8393 -222061.5539 160.3198 -1267.2791 -2712.3901 921491.4634 -1267.2791 -2712.3901
ENERGY: 285 20203.3288 20789.9629 5707.3564 186.7145 -334827.1967 22167.0167 0.0000 0.0000 43418.2631 -222354.5544 157.9437 -265772.8174 -222053.5966 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6309 20966.5622 5721.5031 185.8229 -334658.1149 22176.6864 0.0000 0.0000 43785.6882 -222425.2211 159.2803 -266210.9093 -222054.0581 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1190 20856.7822 5731.9346 184.4714 -334918.1480 22200.2911 0.0000 0.0000 44282.9438 -222485.6058 161.0892 -266768.5496 -222055.7252 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2088 20475.2851 5736.9557 182.7335 -335468.3148 22237.9038 0.0000 0.0000 44116.9904 -222455.2374 160.4855 -266572.2278 -222066.9052 160.4855 -3310.5879 -2790.1553 921491.4634 -3310.5879 -2790.1553
ENERGY: 289 21886.4835 19928.6978 5736.1905 180.7560 -336126.9121 22279.0691 0.0000 0.0000 43733.4512 -222382.2640 159.0903 -266115.7153 -222062.2723 159.0903 -4368.9814 -2809.8749 921491.4634 -4368.9814 -2809.8749
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 290 22615.9844 19325.5265 5730.3279 178.6973 -336571.4573 22308.2176 0.0000 0.0000 44027.4234 -222385.2801 160.1597 -266412.7036 -222063.4682 160.1597 -4815.3286 -2796.0389 921491.4634 -4815.3286 -2796.0389
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LDB: ============= START OF LOAD BALANCING ============== 148.305
LDB: Largest compute 200 load 0.521809 is 1.1% of average load 45.679900
LDB: Average compute 0.063992 is 0.1% of average load 45.679900
LDB: TIME 148.307 LOAD: AVG 45.6799 MAX 46.982 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.24 MB
LDB: TIME 148.307 LOAD: AVG 45.6799 MAX 46.982 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.24 MB
LDB: TIME 148.319 LOAD: AVG 45.6799 MAX 46.1999 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.24 MB
LDB: ============== END OF LOAD BALANCING =============== 148.32
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.321
Info: Initial time: 4 CPUs 0.469535 s/step 5.43443 days/ns 3224.24 MB memory
TIMING: 300 CPU: 142.304, 0.468958/step Wall: 142.304, 0.468958/step, 0.0260532 hours remaining, 3224.238281 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: 300 21869.9883 20174.1890 5731.6694 182.6816 -337209.9035 22385.4781 0.0000 0.0000 44423.7998 -222442.0973 161.6016 -266865.8971 -222076.5868 161.6016 -4600.9409 -2563.6019 921491.4634 -4600.9409 -2563.6019
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ENERGY: 302 21723.0648 20395.7909 5720.2599 184.8676 -337483.0157 22416.9293 0.0000 0.0000 44599.2671 -222442.8360 162.2399 -267042.1032 -222057.3399 162.2399 -3958.8650 -2554.2737 921491.4634 -3958.8650 -2554.2737
ENERGY: 303 21512.5330 20430.0802 5712.5286 185.2198 -336784.9554 22409.2050 0.0000 0.0000 44154.6911 -222380.6979 160.6226 -266535.3890 -222054.2088 160.6226 -2717.2720 -2487.9822 921491.4634 -2717.2720 -2487.9822
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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: 151.515, 0.460546/step Wall: 151.515, 0.460546/step, 0.0230273 hours remaining, 3224.238281 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: 323 21976.7006 21085.8079 5695.4506 181.8003 -337194.0745 22550.8103 0.0000 0.0000 43361.4904 -222342.0145 157.7372 -265703.5049 -222061.4464 157.7372 -3808.3606 -2616.6944 921491.4634 -3808.3606 -2616.6944
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ENERGY: 325 19096.1753 20584.7376 5683.7432 184.8441 -335297.0512 22494.0544 0.0000 0.0000 44763.3955 -222490.1010 162.8369 -267253.4965 -222060.9512 162.8369 -1264.0245 -2529.6545 921491.4634 -1264.0245 -2529.6545
ENERGY: 326 18959.6361 20052.8003 5675.9627 186.2078 -334820.0103 22490.4169 0.0000 0.0000 44971.8224 -222483.1642 163.5951 -267454.9866 -222059.6108 163.5951 -572.2141 -2503.0557 921491.4634 -572.2141 -2503.0557
ENERGY: 327 20020.7820 19506.2792 5669.7116 187.2139 -334851.2528 22513.0145 0.0000 0.0000 44550.7427 -222403.5089 162.0634 -266954.2517 -222059.8760 162.0634 -657.4989 -2506.5013 921491.4634 -657.4989 -2506.5013
ENERGY: 328 20934.1977 19092.0089 5666.7484 187.7399 -335303.4708 22549.7453 0.0000 0.0000 44493.2358 -222379.7947 161.8542 -266873.0306 -222061.7258 161.8542 -1393.2035 -2547.3517 921491.4634 -1393.2035 -2547.3517
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 338 21007.5744 19722.4643 5687.5590 179.5437 -335808.8620 22564.1945 0.0000 0.0000 44285.9173 -222361.6089 161.1000 -266647.5261 -222041.5958 161.1000 -1500.9496 -2462.8575 921491.4634 -1500.9496 -2462.8575
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TIMING: 340 CPU: 160.723, 0.460416/step Wall: 160.723, 0.460416/step, 0.0204629 hours remaining, 3224.238281 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: 169.925, 0.460072/step Wall: 169.925, 0.460072/step, 0.0178917 hours remaining, 3224.238281 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: 377 20646.4607 20251.1593 5706.5521 182.3248 -335763.5805 22794.3773 0.0000 0.0000 43848.2760 -222334.4303 159.5080 -266182.7063 -222041.4013 159.5080 -1819.5856 -2472.4986 921491.4634 -1819.5856 -2472.4986
ENERGY: 378 20473.8099 20495.6594 5711.4639 183.2952 -336584.2282 22821.5836 0.0000 0.0000 44474.7542 -222423.6621 161.7869 -266898.4163 -222044.3967 161.7869 -2972.9872 -2523.3499 921491.4634 -2972.9872 -2523.3499
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TIMING: 380 CPU: 179.116, 0.459589/step Wall: 179.116, 0.459589/step, 0.0153196 hours remaining, 3224.238281 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 19625.4116 19596.0350 5710.5349 179.0647 -336052.0490 22884.2534 0.0000 0.0000 45539.1834 -222517.5659 165.6590 -268056.7493 -222062.0927 165.6590 -569.2382 -2166.9358 921491.4634 -569.2382 -2166.9358
ENERGY: 385 19327.8182 19356.8909 5707.7751 177.4354 -335210.6403 22871.6144 0.0000 0.0000 45299.7172 -222469.3891 164.7879 -267769.1062 -222051.0995 164.7879 215.3513 -2064.3637 921491.4634 215.3513 -2064.3637
ENERGY: 386 19981.2273 19220.9462 5707.6637 175.9385 -334865.1819 22880.7958 0.0000 0.0000 44519.8586 -222378.7517 161.9510 -266898.6104 -222051.0439 161.9510 122.6670 -2011.2428 921491.4634 122.6670 -2011.2428
ENERGY: 387 20367.2859 19202.4843 5710.9354 174.6759 -335109.8726 22905.2744 0.0000 0.0000 44377.1816 -222372.0351 161.4320 -266749.2167 -222053.0051 161.4320 -738.9584 -2019.1689 921491.4634 -738.9584 -2019.1689
ENERGY: 388 20282.3986 19280.0167 5717.2934 173.7038 -335824.1515 22938.2900 0.0000 0.0000 44972.7760 -222459.6729 163.5986 -267432.4490 -222067.4815 163.5986 -2063.8551 -2076.2820 921491.4634 -2063.8551 -2076.2820
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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: 398 19692.8115 20133.3591 5716.9814 176.0456 -336812.3381 23014.0588 0.0000 0.0000 45592.7321 -222486.3497 165.8538 -268079.0818 -222045.7223 165.8538 -1710.2234 -2443.6964 921491.4634 -1710.2234 -2443.6964
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LDB: ============= START OF LOAD BALANCING ============== 194.331
LDB: Largest compute 230 load 0.523030 is 1.1% of average load 45.615321
LDB: Average compute 0.063879 is 0.1% of average load 45.615321
LDB: TIME 194.333 LOAD: AVG 45.6153 MAX 46.0102 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.24 MB
LDB: TIME 194.334 LOAD: AVG 45.6153 MAX 46.0102 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.24 MB
LDB: TIME 194.334 LOAD: AVG 45.6153 MAX 46.0102 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.24 MB
LDB: ============== END OF LOAD BALANCING =============== 194.335
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.335
Info: Benchmark time: 4 CPUs 0.460033 s/step 5.32446 days/ns 3224.24 MB memory
TIMING: 400 CPU: 188.311, 0.459746/step Wall: 188.311, 0.459746/step, 0.0127707 hours remaining, 3224.238281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 403 20784.9696 19778.4824 5715.7218 174.2695 -337239.9784 23077.8405 0.0000 0.0000 45225.5962 -222483.0984 164.5183 -267708.6946 -222046.6853 164.5183 -3613.5978 -2605.7427 921491.4634 -3613.5978 -2605.7427
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ENERGY: 409 20350.1188 19376.4607 5688.4775 191.1593 -336896.6851 23057.9926 0.0000 0.0000 45733.6058 -222498.8704 166.3663 -268232.4762 -222051.6705 166.3663 -2367.4918 -2346.9324 921491.4634 -2367.4918 -2346.9324
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: 415 19745.2667 20572.1260 5708.7452 198.1487 -336456.1979 23071.1995 0.0000 0.0000 44733.2274 -222427.4844 162.7272 -267160.7118 -222049.0345 162.7272 -1174.6451 -2266.5614 921491.4634 -1174.6451 -2266.5614
ENERGY: 416 19942.3169 20661.9896 5710.0857 195.6953 -336157.5866 23063.1718 0.0000 0.0000 44200.2852 -222384.0420 160.7885 -266584.3271 -222052.9643 160.7885 -282.7611 -2224.6896 921491.4634 -282.7611 -2224.6896
ENERGY: 417 20031.3748 20631.3209 5709.0494 192.4696 -336373.1079 23072.1102 0.0000 0.0000 44338.4622 -222398.3208 161.2911 -266736.7830 -222044.6992 161.2911 -112.4550 -2227.1698 921491.4634 -112.4550 -2227.1698
ENERGY: 418 20154.6648 20457.0908 5705.5848 188.6536 -336970.7871 23098.6729 0.0000 0.0000 44915.1425 -222450.9777 163.3889 -267366.1201 -222046.7091 163.3889 -671.8544 -2269.9920 921491.4634 -671.8544 -2269.9920
ENERGY: 419 20790.7633 20185.5522 5700.4811 184.6054 -337717.8760 23139.8026 0.0000 0.0000 45250.3102 -222466.3612 164.6082 -267716.6713 -222049.5949 164.6082 -1783.9420 -2336.6463 921491.4634 -1783.9420 -2336.6463
TIMING: 420 CPU: 197.477, 0.458278/step Wall: 197.477, 0.458278/step, 0.010184 hours remaining, 3224.238281 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 19595.2899 5707.1505 168.7509 -335498.4325 23074.5010 0.0000 0.0000 44915.2779 -222438.9309 163.3894 -267354.2088 -222048.7337 163.3894 -741.9006 -2207.6353 921491.4634 -741.9006 -2207.6353
ENERGY: 428 20140.4227 19760.4172 5710.4629 168.5259 -336199.9860 23087.7680 0.0000 0.0000 44884.2598 -222448.1296 163.2766 -267332.3894 -222058.0548 163.2766 -935.5729 -2206.9583 921491.4634 -935.5729 -2206.9583
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9874 20024.3741 5712.1700 168.1897 -338096.9212 23149.4495 0.0000 0.0000 44626.3099 -222402.4405 162.3383 -267028.7504 -222047.3914 162.3383 -2472.2456 -2268.0464 921491.4634 -2472.2456 -2268.0464
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ENERGY: 432 21768.3704 20188.6727 5710.3547 168.1086 -338651.2105 23176.0847 0.0000 0.0000 45177.9910 -222461.6284 164.3451 -267639.6193 -222065.9057 164.3451 -3350.2741 -2296.1496 921491.4634 -3350.2741 -2296.1496
ENERGY: 433 21200.9072 20275.9666 5710.3764 168.4633 -338164.0639 23162.2911 0.0000 0.0000 45192.9283 -222453.1310 164.3995 -267646.0593 -222052.5981 164.3995 -3187.3732 -2272.1274 921491.4634 -3187.3732 -2272.1274
ENERGY: 434 20730.3413 20338.1500 5711.6061 169.3247 -337394.2703 23140.7736 0.0000 0.0000 44883.0996 -222420.9750 163.2724 -267304.0746 -222051.1461 163.2724 -2694.3106 -2227.7883 921491.4634 -2694.3106 -2227.7883
ENERGY: 435 20235.2201 20362.4015 5714.0004 170.8455 -336680.6551 23123.4097 0.0000 0.0000 44675.9837 -222398.7943 162.5189 -267074.7780 -222049.5887 162.5189 -2061.3580 -2179.8950 921491.4634 -2061.3580 -2179.8950
ENERGY: 436 19670.9241 20349.9981 5717.2346 173.0864 -336303.8806 23119.9078 0.0000 0.0000 44847.0982 -222425.6315 163.1414 -267272.7297 -222059.6958 163.1414 -1520.6597 -2145.1617 921491.4634 -1520.6597 -2145.1617
ENERGY: 437 19434.5514 20329.5091 5720.9894 175.9827 -336411.9778 23136.3867 0.0000 0.0000 45159.2687 -222455.2899 164.2770 -267614.5586 -222050.7501 164.2770 -1319.1167 -2134.4848 921491.4634 -1319.1167 -2134.4848
ENERGY: 438 19935.1530 20278.6093 5724.6884 179.3848 -336899.4569 23173.5518 0.0000 0.0000 45148.1324 -222459.9371 164.2365 -267608.0695 -222051.5666 164.2365 -1493.0940 -2145.0881 921491.4634 -1493.0940 -2145.0881
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TIMING: 440 CPU: 206.637, 0.457991/step Wall: 206.637, 0.457991/step, 0.00763319 hours remaining, 3224.238281 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 20036.2369 5729.7527 186.7201 -338123.1805 23276.2483 0.0000 0.0000 44417.5458 -222405.1081 161.5788 -266822.6539 -222059.4774 161.5788 -2408.4614 -2197.9673 921491.4634 -2408.4614 -2197.9673
ENERGY: 441 22355.5488 19860.0407 5730.3488 190.1145 -338361.1715 23313.2042 0.0000 0.0000 44502.6964 -222409.2181 161.8886 -266911.9145 -222050.0862 161.8886 -2716.1030 -2221.5315 921491.4634 -2716.1030 -2221.5315
ENERGY: 442 21853.6119 19664.5347 5729.4855 192.9411 -338090.1534 23327.1565 0.0000 0.0000 44880.6321 -222441.7915 163.2634 -267322.4237 -222049.7757 163.2634 -2710.5579 -2229.0698 921491.4634 -2710.5579 -2229.0698
ENERGY: 443 21064.3317 19487.0721 5727.6165 194.9329 -337369.3151 23320.0154 0.0000 0.0000 45118.1109 -222457.2356 164.1273 -267575.3465 -222048.5997 164.1273 -2448.1651 -2220.3533 921491.4634 -2448.1651 -2220.3533
ENERGY: 444 20449.3365 19357.2689 5725.4095 195.8735 -336464.1921 23301.5272 0.0000 0.0000 44987.7179 -222447.0587 163.6530 -267434.7765 -222057.9796 163.6530 -2090.2100 -2206.4400 921491.4634 -2090.2100 -2206.4400
ENERGY: 445 20125.5609 19307.2517 5723.6513 195.6942 -335759.3913 23283.8135 0.0000 0.0000 44708.7156 -222414.7040 162.6380 -267123.4197 -222046.5427 162.6380 -1846.9627 -2201.6926 921491.4634 -1846.9627 -2201.6926
ENERGY: 446 19947.6804 19324.9006 5722.5430 194.3235 -335494.5707 23276.0447 0.0000 0.0000 44620.2947 -222408.7838 162.3164 -267029.0785 -222046.1619 162.3164 -1800.7518 -2216.7294 921491.4634 -1800.7518 -2216.7294
ENERGY: 447 19914.2847 19416.0211 5722.2107 191.8641 -335769.4399 23282.7454 0.0000 0.0000 44816.5089 -222425.8049 163.0301 -267242.3138 -222046.8342 163.0301 -1993.3112 -2253.0604 921491.4634 -1993.3112 -2253.0604
ENERGY: 448 20187.5921 19583.6802 5722.5765 188.5554 -336503.1803 23303.8900 0.0000 0.0000 45065.6674 -222451.2187 163.9365 -267516.8861 -222059.3482 163.9365 -2372.1880 -2303.7901 921491.4634 -2372.1880 -2303.7901
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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 21754.4855 20108.1302 5724.4776 181.0897 -338419.3252 23364.6239 0.0000 0.0000 44854.3095 -222432.2088 163.1677 -267286.5183 -222048.7862 163.1677 -3116.6759 -2394.3899 921491.4634 -3116.6759 -2394.3899
ENERGY: 451 22355.5902 20357.7257 5724.7144 177.6517 -338952.0911 23381.8003 0.0000 0.0000 44542.6986 -222411.9102 162.0341 -266954.6088 -222048.8248 162.0341 -3074.2536 -2405.7800 921491.4634 -3074.2536 -2405.7800
ENERGY: 452 22246.2014 20536.0135 5723.8954 174.8859 -338927.1539 23378.0940 0.0000 0.0000 44452.9196 -222415.1442 161.7075 -266868.0638 -222059.6373 161.7075 -2659.9608 -2384.7570 921491.4634 -2659.9608 -2384.7570
ENERGY: 453 21399.8726 20641.1311 5722.2879 173.1350 -338392.7935 23354.5904 0.0000 0.0000 44683.7032 -222418.0733 162.5470 -267101.7765 -222043.5374 162.5470 -2048.3341 -2342.4670 921491.4634 -2048.3341 -2342.4670
ENERGY: 454 20248.3382 20654.1373 5720.2218 172.3637 -337567.1415 23320.6898 0.0000 0.0000 45008.1463 -222443.2444 163.7273 -267451.3907 -222041.8394 163.7273 -1453.4581 -2293.1452 921491.4634 -1453.4581 -2293.1452
ENERGY: 455 19486.7906 20584.7119 5718.4844 172.5169 -336790.6451 23290.4020 0.0000 0.0000 45086.5787 -222451.1606 164.0126 -267537.7392 -222040.8572 164.0126 -1151.8826 -2255.8573 921491.4634 -1151.8826 -2255.8573
ENERGY: 456 19493.3720 20440.6799 5717.7556 173.4248 -336350.1072 23274.9628 0.0000 0.0000 44811.4725 -222438.4396 163.0118 -267249.9121 -222055.3486 163.0118 -1305.5005 -2245.5824 921491.4634 -1305.5005 -2245.5824
ENERGY: 457 20047.4927 20251.9433 5718.5580 174.9241 -336395.8161 23277.8272 0.0000 0.0000 44521.8705 -222403.2003 161.9583 -266925.0708 -222049.4133 161.9583 -1906.4166 -2263.5014 921491.4634 -1906.4166 -2263.5014
ENERGY: 458 20585.8435 20019.2720 5720.7061 176.6081 -336835.0955 23294.7170 0.0000 0.0000 44632.7888 -222405.1599 162.3618 -267037.9488 -222051.2823 162.3618 -2684.6988 -2301.0428 921491.4634 -2684.6988 -2301.0428
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TIMING: 460 CPU: 215.788, 0.457556/step Wall: 215.788, 0.457556/step, 0.00508396 hours remaining, 3224.238281 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 21262.6140 19597.9061 5728.0972 179.4910 -338014.3764 23341.7998 0.0000 0.0000 45423.8567 -222480.6116 165.2395 -267904.4684 -222064.6836 165.2395 -3669.8203 -2365.2413 921491.4634 -3669.8203 -2365.2413
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ENERGY: 462 22264.2254 19487.8107 5736.4823 180.9531 -337988.7169 23351.1083 0.0000 0.0000 44559.9297 -222408.2075 162.0968 -266968.1372 -222056.7214 162.0968 -2954.8201 -2323.4251 921491.4634 -2954.8201 -2323.4251
ENERGY: 463 21821.1791 19513.9014 5738.9361 181.1160 -337284.1029 23326.9475 0.0000 0.0000 44313.4575 -222388.5652 161.2002 -266702.0228 -222054.6242 161.2002 -2012.4425 -2264.0779 921491.4634 -2012.4425 -2264.0779
ENERGY: 464 20535.2461 19559.9272 5739.2519 181.0096 -336389.3841 23291.1939 0.0000 0.0000 44654.0270 -222428.7283 162.4391 -267082.7554 -222058.5728 162.4391 -1050.9228 -2205.5269 921491.4634 -1050.9228 -2205.5269
ENERGY: 465 19322.7827 19631.8856 5737.2899 180.7155 -335701.1536 23259.7389 0.0000 0.0000 45094.5692 -222474.1718 164.0416 -267568.7410 -222052.9387 164.0416 -512.3347 -2174.4009 921491.4634 -512.3347 -2174.4009
ENERGY: 466 19088.4509 19708.3584 5733.2107 180.2808 -335443.7729 23245.0601 0.0000 0.0000 45020.7914 -222467.6205 163.7733 -267488.4119 -222052.9784 163.7733 -630.3314 -2182.6711 921491.4634 -630.3314 -2182.6711
ENERGY: 467 19841.8069 19783.1746 5727.6704 179.7757 -335721.0955 23249.4527 0.0000 0.0000 44523.6670 -222415.5481 161.9649 -266939.2152 -222054.3494 161.9649 -1393.6030 -2232.5925 921491.4634 -1393.6030 -2232.5925
ENERGY: 468 20761.8483 19845.4946 5721.5090 179.2779 -336451.5671 23265.8124 0.0000 0.0000 44291.6588 -222385.9661 161.1209 -266677.6250 -222056.3589 161.1209 -2508.6715 -2314.1341 921491.4634 -2508.6715 -2314.1341
ENERGY: 469 21236.3019 19910.2025 5715.6824 178.8504 -337458.3208 23284.3960 0.0000 0.0000 44720.3204 -222412.5671 162.6802 -267132.8875 -222046.0749 162.6802 -3596.7407 -2405.7973 921491.4634 -3596.7407 -2405.7973
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1734 19972.8937 5710.9491 178.5947 -338383.2513 23297.0672 0.0000 0.0000 45346.4577 -222466.1155 164.9580 -267812.5732 -222047.6087 164.9580 -4259.6997 -2477.6832 921491.4634 -4259.6997 -2477.6832
ENERGY: 471 21732.8678 20054.6837 5707.9626 178.5890 -338913.2456 23297.5085 0.0000 0.0000 45471.3371 -222470.2969 165.4122 -267941.6340 -222047.5358 165.4122 -4290.5685 -2504.3176 921491.4634 -4290.5685 -2504.3176
ENERGY: 472 22081.2361 20161.5551 5707.0091 178.9047 -338870.6771 23279.4491 0.0000 0.0000 45028.5300 -222433.9929 163.8014 -267462.5230 -222059.5058 163.8014 -3659.7362 -2479.9184 921491.4634 -3659.7362 -2479.9184
ENERGY: 473 21866.1362 20289.3425 5707.9843 179.6165 -338307.7192 23240.7364 0.0000 0.0000 44634.5174 -222389.3859 162.3681 -267023.9034 -222043.8540 162.3681 -2556.3617 -2408.1658 921491.4634 -2556.3617 -2408.1658
ENERGY: 474 20842.9705 20372.0984 5710.2161 180.7466 -337438.4550 23189.2349 0.0000 0.0000 44733.2305 -222409.9582 162.7272 -267143.1886 -222041.2620 162.7272 -1295.5525 -2316.2728 921491.4634 -1295.5525 -2316.2728
ENERGY: 475 19674.2080 20371.7671 5712.9876 182.2512 -336604.2309 23142.3819 0.0000 0.0000 45070.2135 -222450.4216 163.9530 -267520.6352 -222039.4530 163.9530 -344.6449 -2232.2126 921491.4634 -344.6449 -2232.2126
ENERGY: 476 19235.7860 20282.0271 5715.7683 184.0125 -336100.0898 23115.8468 0.0000 0.0000 45106.0629 -222460.5862 164.0835 -267566.6492 -222053.6139 164.0835 -92.4049 -2183.0653 921491.4634 -92.4049 -2183.0653
ENERGY: 477 19704.7248 20145.9809 5718.4976 185.9230 -336101.8783 23114.2941 0.0000 0.0000 44812.3203 -222420.1376 163.0149 -267232.4578 -222044.8412 163.0149 -667.4946 -2171.8229 921491.4634 -667.4946 -2171.8229
ENERGY: 478 20493.4777 19974.7634 5721.0254 187.7262 -336537.4029 23131.2462 0.0000 0.0000 44627.0325 -222402.1316 162.3409 -267029.1641 -222047.4108 162.3409 -1807.1604 -2198.7956 921491.4634 -1807.1604 -2198.7956
ENERGY: 479 21125.3059 19793.3951 5723.3295 189.2099 -337215.5831 23156.6773 0.0000 0.0000 44802.1570 -222425.5084 162.9779 -267227.6653 -222050.5461 162.9779 -3089.8516 -2246.7918 921491.4634 -3089.8516 -2246.7918
TIMING: 480 CPU: 224.935, 0.457379/step Wall: 224.935, 0.457379/step, 0.00254099 hours remaining, 3224.238281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0328 19623.1960 5725.3111 190.1900 -337854.6777 23181.5120 0.0000 0.0000 45051.6807 -222458.7551 163.8856 -267510.4358 -222064.6211 163.8856 -4077.7327 -2291.4892 921491.4634 -4077.7327 -2291.4892
ENERGY: 481 22092.4853 19510.0429 5727.0953 190.6351 -338199.2472 23196.7960 0.0000 0.0000 45041.3362 -222440.8564 163.8480 -267482.1926 -222052.5267 163.8480 -4466.2395 -2305.6734 921491.4634 -4466.2395 -2305.6734
ENERGY: 482 22186.3466 19466.6791 5728.4964 190.3598 -338044.5410 23192.7475 0.0000 0.0000 44865.8514 -222414.0602 163.2096 -267279.9116 -222051.4114 163.2096 -4059.3099 -2278.0616 921491.4634 -4059.3099 -2278.0616
ENERGY: 483 21553.1413 19511.5743 5729.5660 189.3227 -337426.2178 23165.8741 0.0000 0.0000 44861.8962 -222414.8431 163.1952 -267276.7393 -222048.7673 163.1952 -2964.1724 -2216.4117 921491.4634 -2964.1724 -2216.4117
ENERGY: 484 20460.8926 19631.1939 5730.2465 187.5455 -336590.8881 23126.1352 0.0000 0.0000 45003.6024 -222451.2720 163.7107 -267454.8744 -222059.8745 163.7107 -1565.2427 -2143.1852 921491.4634 -1565.2427 -2143.1852
ENERGY: 485 19688.7720 19800.2993 5730.5256 185.2458 -335902.5864 23092.8471 0.0000 0.0000 44955.5718 -222449.3249 163.5360 -267404.8966 -222045.9609 163.5360 -422.1571 -2086.8737 921491.4634 -422.1571 -2086.8737
ENERGY: 486 19602.5426 19954.8179 5729.7198 182.4662 -335612.3568 23080.3808 0.0000 0.0000 44645.9111 -222416.5185 162.4096 -267062.4296 -222044.6763 162.4096 87.3179 -2070.0984 921491.4634 87.3179 -2070.0984
ENERGY: 487 19881.0925 20072.0216 5727.4348 179.4360 -335846.4484 23091.0544 0.0000 0.0000 44503.3489 -222392.0602 161.8910 -266895.4091 -222045.2410 161.8910 -192.2348 -2106.8842 921491.4634 -192.2348 -2106.8842
ENERGY: 488 20125.2100 20156.1365 5723.5441 176.4338 -336552.5454 23118.8616 0.0000 0.0000 44827.0553 -222425.3042 163.0685 -267252.3594 -222057.1939 163.0685 -1145.7534 -2194.6680 921491.4634 -1145.7534 -2194.6680
ENERGY: 489 20526.8874 20236.4612 5718.5749 173.8639 -337540.4658 23156.7310 0.0000 0.0000 45266.1001 -222461.8473 164.6656 -267727.9475 -222045.6086 164.6656 -2511.2405 -2316.7067 921491.4634 -2511.2405 -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 21410.7491 20292.9024 5712.8912 171.8438 -338458.1363 23196.4877 0.0000 0.0000 45213.5628 -222459.6994 164.4745 -267673.2622 -222048.2208 164.4745 -3823.4039 -2437.4155 921491.4634 -3823.4039 -2437.4155
ENERGY: 491 22430.4640 20312.1362 5707.3795 170.5404 -338984.5795 23226.0936 0.0000 0.0000 44733.0089 -222404.9569 162.7264 -267137.9658 -222049.4639 162.7264 -4629.6935 -2524.6216 921491.4634 -4629.6935 -2524.6216
ENERGY: 492 22612.9547 20289.6811 5702.9944 170.0208 -338937.5815 23232.7204 0.0000 0.0000 44542.1950 -222387.0151 162.0323 -266929.2100 -222060.3860 162.0323 -4606.8525 -2557.4730 921491.4634 -4606.8525 -2557.4730
ENERGY: 493 21558.2189 20260.7375 5700.7779 170.3201 -338358.0630 23214.0535 0.0000 0.0000 45033.8227 -222420.1326 163.8207 -267453.9552 -222046.5900 163.8207 -3796.3820 -2540.0996 921491.4634 -3796.3820 -2540.0996
ENERGY: 494 20068.3366 20225.0261 5700.9806 171.2193 -337454.3829 23183.0793 0.0000 0.0000 45622.2471 -222483.4939 165.9612 -268105.7410 -222044.0867 165.9612 -2500.8993 -2482.1069 921491.4634 -2500.8993 -2482.1069
ENERGY: 495 19383.2461 20186.8301 5703.5926 172.5416 -336566.9878 23159.4622 0.0000 0.0000 45484.1227 -222477.1925 165.4587 -267961.3152 -222041.5563 165.4587 -1249.6837 -2407.3056 921491.4634 -1249.6837 -2407.3056
ENERGY: 496 19722.4831 20130.6472 5708.0350 174.0934 -335998.7147 23154.2633 0.0000 0.0000 44699.5267 -222409.6661 162.6046 -267109.1928 -222049.0671 162.6046 -478.8997 -2343.4751 921491.4634 -478.8997 -2343.4751
ENERGY: 497 20212.6666 20059.9174 5713.4613 175.7242 -335952.5032 23166.3542 0.0000 0.0000 44261.0284 -222363.3511 161.0095 -266624.3795 -222042.7501 161.0095 -421.0231 -2316.7928 921491.4634 -421.0231 -2316.7928
ENERGY: 498 20182.0165 19957.1213 5718.5596 177.2604 -336366.4923 23189.3582 0.0000 0.0000 44728.2528 -222413.9234 162.7091 -267142.1762 -222044.5220 162.7091 -993.4679 -2331.6473 921491.4634 -993.4679 -2331.6473
ENERGY: 499 20158.0679 19847.7305 5722.4089 178.6361 -337058.4813 23219.2400 0.0000 0.0000 45439.2638 -222493.1340 165.2956 -267932.3978 -222047.2063 165.2956 -2020.8688 -2376.3391 921491.4634 -2020.8688 -2376.3391
Info: Benchmark time: 4 CPUs 0.456994 s/step 5.28928 days/ns 3224.24 MB memory
TIMING: 500 CPU: 234.011, 0.453773/step Wall: 234.011, 0.453773/step, 0 hours remaining, 3224.238281 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 20974.8937 19756.6581 5724.4523 179.8271 -337741.4180 23251.1004 0.0000 0.0000 45359.0773 -222495.4092 165.0039 -267854.4864 -222061.0910 165.0039 -3197.5168 -2425.4142 921491.4634 -3197.5168 -2425.4142
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.492 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.492 MB of memory in use
====================================================
WallClock: 240.920883 CPUTime: 240.920883 Memory: 3229.492188 MB
[Partition 0][Node 0] End of program
Application 109777633 resources: utime ~946s, stime ~19s, Rss ~126940, inblocks ~67012, outblocks ~72240
Displaying status file:
verified
WALL=240.920883
CPU=240.920883
MEM=3229.492188
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins6996061808988096003.sh
+ rm -rf /var/lib/jenkins/jobs/NAMD-BW/workspace/cputime /var/lib/jenkins/jobs/NAMD-BW/workspace/memory /var/lib/jenkins/jobs/NAMD-BW/workspace/namd /var/lib/jenkins/jobs/NAMD-BW/workspace/wallclock
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-BW/workspace
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-BW/workspace
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-BW/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/memory
Finished: SUCCESS
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