Skipping 713 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 ============== 54.4274
LDB: Largest compute 200 load 0.429689 is 1.2% of average load 36.816381
LDB: Average compute 0.051571 is 0.1% of average load 36.816381
LDB: Partitioning computes with target load 3.681638
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055304
LDB: ============== END OF LOAD BALANCING =============== 54.4295
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.4304
Info: Initial time: 4 CPUs 0.474532 s/step 5.49227 days/ns 3221.62 MB memory
TIMING: 100 CPU: 48.4268, 0.473541/step Wall: 48.4268, 0.473541/step, 0.0526156 hours remaining, 3221.621094 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 ============== 63.8806
LDB: ============== END OF LOAD BALANCING =============== 63.8807
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.8812
TIMING: 120 CPU: 57.8755, 0.472439/step Wall: 57.8755, 0.472439/step, 0.0498685 hours remaining, 3221.851562 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 21553.6087 18898.7761 5736.4508 185.0194 -334776.0135 21118.0423 0.0000 0.0000 44811.1497 -222472.9665 163.0106 -267284.1162 -222216.5362 163.0106 -5536.0555 -2842.3154 921491.4634 -5536.0555 -2842.3154
ENERGY: 131 21530.9956 19804.6628 5745.0872 187.0957 -335083.2642 21105.7069 0.0000 0.0000 44221.5103 -222488.2057 160.8657 -266709.7160 -222215.1803 160.8657 -5164.7863 -2872.9597 921491.4634 -5164.7863 -2872.9597
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ENERGY: 133 21569.7010 21939.4306 5759.4053 191.1377 -334187.7138 21049.8506 0.0000 0.0000 41346.5715 -222331.6171 150.4075 -263678.1886 -222209.0242 150.4075 -2436.6193 -2806.2333 921491.4634 -2436.6193 -2806.2333
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ENERGY: 136 18381.4539 21453.0791 5750.0867 193.4037 -332655.7486 21006.3295 0.0000 0.0000 43348.3541 -222523.0416 157.6894 -265871.3957 -222211.0692 157.6894 198.1851 -2776.3543 921491.4634 198.1851 -2776.3543
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ENERGY: 138 21874.8524 19195.4802 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9640 -222340.8737 155.6399 -265125.8377 -222213.1814 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
ENERGY: 139 22116.0296 18330.1125 5724.2506 192.4679 -333575.3362 21115.6333 0.0000 0.0000 43705.6789 -222391.1634 158.9892 -266096.8423 -222217.3487 158.9892 -4443.4108 -3015.1528 921491.4634 -4443.4108 -3015.1528
TIMING: 140 CPU: 67.3199, 0.47222/step Wall: 67.3199, 0.47222/step, 0.047222 hours remaining, 3222.046875 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 17997.1579 5722.1741 192.2140 -333726.9442 21127.4061 0.0000 0.0000 45144.2513 -222551.1432 164.2224 -267695.3945 -222224.0360 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 19956.3835 5767.3089 192.0924 -334899.3752 20845.5771 0.0000 0.0000 44606.5897 -222515.5244 162.2665 -267122.1140 -222153.2665 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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TIMING: 160 CPU: 76.7542, 0.471712/step Wall: 76.7542, 0.471712/step, 0.0445506 hours remaining, 3222.253906 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 160 21093.2843 18859.3047 5717.0749 174.4915 -333735.9155 20833.5471 0.0000 0.0000 44515.8597 -222542.3532 161.9365 -267058.2129 -222175.6785 161.9365 -3202.8706 -2752.7604 921491.4634 -3202.8706 -2752.7604
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ENERGY: 162 22512.8125 18508.1494 5697.2826 183.0024 -333202.6498 20887.8856 0.0000 0.0000 43070.6068 -222342.9103 156.6790 -265413.5172 -222161.4905 156.6790 -5004.1554 -2859.8871 921491.4634 -5004.1554 -2859.8871
ENERGY: 163 21937.9852 18346.8658 5696.1509 188.4544 -332368.8225 20884.6196 0.0000 0.0000 43005.6963 -222309.0504 156.4429 -265314.7467 -222160.7800 156.4429 -4776.8220 -2868.7270 921491.4634 -4776.8220 -2868.7270
ENERGY: 164 19652.8066 18261.0401 5702.5306 194.0206 -331567.4471 20861.9109 0.0000 0.0000 44426.5345 -222468.6037 161.6115 -266895.1383 -222170.9033 161.6115 -3836.1733 -2870.4449 921491.4634 -3836.1733 -2870.4449
ENERGY: 165 18074.0951 18343.8151 5716.1638 199.2019 -331183.0467 20849.6743 0.0000 0.0000 45425.8565 -222574.2400 165.2468 -268000.0965 -222153.1697 165.2468 -2737.5186 -2867.1447 921491.4634 -2737.5186 -2867.1447
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ENERGY: 168 21619.4182 19999.6890 5775.3367 206.4584 -333382.4927 20963.4338 0.0000 0.0000 42492.3350 -222325.8216 154.5754 -264818.1566 -222149.7707 154.5754 -1735.9905 -2933.5977 921491.4634 -1735.9905 -2933.5977
ENERGY: 169 20648.4665 20870.4070 5789.9166 204.9287 -334596.5070 20994.5723 0.0000 0.0000 43600.1909 -222488.0251 158.6055 -266088.2160 -222133.5315 158.6055 -2095.8777 -2988.7948 921491.4634 -2095.8777 -2988.7948
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 170 20485.0013 21574.3801 5797.0542 201.1981 -335480.2501 21017.8094 0.0000 0.0000 43834.2689 -222570.5382 159.4570 -266404.8070 -222135.2420 159.4570 -2696.1967 -3030.4961 921491.4634 -2696.1967 -3030.4961
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ENERGY: 176 19195.1038 18891.7630 5743.5896 160.0071 -332124.2127 20943.2095 0.0000 0.0000 44722.5122 -222468.0276 162.6882 -267190.5398 -222127.3367 162.6882 -2658.3221 -2727.5044 921491.4634 -2658.3221 -2727.5044
ENERGY: 177 21863.3195 18664.1736 5738.9484 156.2659 -332371.2411 20981.6518 0.0000 0.0000 42714.2626 -222252.6193 155.3827 -264966.8819 -222125.5134 155.3827 -2870.6846 -2681.8089 921491.4634 -2870.6846 -2681.8089
ENERGY: 178 21917.7900 18733.9560 5737.6245 154.5770 -332975.2975 21015.2132 0.0000 0.0000 43101.1545 -222314.9822 156.7902 -265416.1367 -222126.1319 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 86.1769, 0.471137/step Wall: 86.1769, 0.471137/step, 0.0418789 hours remaining, 3222.253906 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: 183 22149.3487 19677.1535 5722.7616 169.5349 -332921.8736 21084.4911 0.0000 0.0000 41834.8235 -222283.7604 152.1836 -264118.5838 -222131.2587 152.1836 -1990.8045 -2626.5157 921491.4634 -1990.8045 -2626.5157
ENERGY: 184 18376.8756 19424.9917 5710.5468 174.1844 -332181.9082 21042.4479 0.0000 0.0000 44880.5528 -222572.3090 163.2631 -267452.8617 -222144.6141 163.2631 -1576.6176 -2645.2274 921491.4634 -1576.6176 -2645.2274
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ENERGY: 186 19266.0405 19234.9573 5686.4352 181.9571 -332240.0938 21043.7459 0.0000 0.0000 44391.5887 -222435.3690 161.4844 -266826.9578 -222129.2887 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2967 19471.4305 5678.7398 184.6336 -333156.1127 21076.9265 0.0000 0.0000 42449.0055 -222222.0800 154.4178 -264671.0855 -222130.9079 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: 197 21700.3670 19122.7582 5714.1451 184.7200 -332668.2729 21129.4588 0.0000 0.0000 42574.3654 -222242.4585 154.8738 -264816.8239 -222086.7178 154.8738 -3040.7437 -2596.5494 921491.4634 -3040.7437 -2596.5494
ENERGY: 198 21224.0061 18800.3007 5711.3574 186.3640 -333385.4996 21161.1534 0.0000 0.0000 43911.2862 -222391.0318 159.7372 -266302.3181 -222090.4389 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.605
LDB: Largest compute 200 load 0.424178 is 1.2% of average load 36.632221
LDB: Average compute 0.051314 is 0.1% of average load 36.632221
LDB: TIME 101.606 LOAD: AVG 36.6322 MAX 37.7233 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.59 MB
LDB: TIME 101.609 LOAD: AVG 36.6322 MAX 37.5208 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.59 MB
LDB: ============== END OF LOAD BALANCING =============== 101.61
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.614
Info: Initial time: 4 CPUs 0.471663 s/step 5.45907 days/ns 3223.46 MB memory
TIMING: 200 CPU: 95.603, 0.471306/step Wall: 95.603, 0.471306/step, 0.0392755 hours remaining, 3223.457031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6836 18595.6351 5711.8747 190.0258 -334670.2812 21209.9248 0.0000 0.0000 45319.1602 -222569.9772 164.8586 -267889.1373 -222114.5245 164.8586 -5241.8525 -2703.6813 921491.4634 -5241.8525 -2703.6813
ENERGY: 201 23380.1029 18674.3335 5716.2802 191.4188 -334751.7132 21239.1340 0.0000 0.0000 43222.4696 -222327.9742 157.2315 -265550.4438 -222100.1078 157.2315 -4546.2004 -2661.1901 921491.4634 -4546.2004 -2661.1901
ENERGY: 202 23622.8116 18850.8452 5722.5980 192.1474 -334305.3008 21243.2752 0.0000 0.0000 42432.5588 -222241.0647 154.3580 -264673.6235 -222096.8291 154.3580 -3005.0519 -2588.0014 921491.4634 -3005.0519 -2588.0014
ENERGY: 203 20743.8946 19130.0392 5729.2400 192.0764 -333501.9374 21215.8254 0.0000 0.0000 44059.6985 -222431.1634 160.2771 -266490.8619 -222093.6427 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6124 19486.9558 5734.1463 191.2124 -332722.2198 21188.8402 0.0000 0.0000 45629.4719 -222628.9808 165.9875 -268258.4526 -222116.7000 165.9875 452.9933 -2462.2929 921491.4634 452.9933 -2462.2929
ENERGY: 205 18189.0790 19868.9415 5735.7153 189.6741 -332398.2549 21197.9185 0.0000 0.0000 44690.7150 -222526.2115 162.5725 -267216.9264 -222099.8058 162.5725 731.8535 -2447.6353 921491.4634 731.8535 -2447.6353
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ENERGY: 207 21693.8033 20338.2891 5726.5434 185.3060 -333603.9789 21289.9001 0.0000 0.0000 42143.6913 -222226.4457 153.3072 -264370.1370 -222103.0930 153.3072 -1896.3478 -2585.9682 921491.4634 -1896.3478 -2585.9682
ENERGY: 208 20293.2704 20371.8903 5718.1572 182.8654 -334789.2376 21322.2409 0.0000 0.0000 44428.6270 -222472.1864 161.6191 -266900.8134 -222122.6313 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -2719.7952
ENERGY: 209 19428.8171 20325.0058 5710.3389 180.5135 -335910.2411 21349.5043 0.0000 0.0000 46273.6802 -222642.3814 168.3309 -268916.0616 -222106.7899 168.3309 -5197.7274 -2836.6306 921491.4634 -5197.7274 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1733 20194.2568 5705.3139 178.4614 -336615.7766 21385.1095 0.0000 0.0000 45251.4336 -222516.0280 164.6123 -267767.4616 -222108.2014 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1927 19985.8631 5704.9373 176.9105 -336667.8925 21415.1476 0.0000 0.0000 43031.7287 -222254.1127 156.5376 -265285.8413 -222106.8540 156.5376 -5900.2977 -2885.1010 921491.4634 -5900.2977 -2885.1010
ENERGY: 212 23739.2709 19730.8222 5710.0295 176.0352 -336013.6223 21412.5982 0.0000 0.0000 42995.1639 -222249.7024 156.4046 -265244.8662 -222104.2316 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2161 19524.5249 5720.1722 175.9508 -334874.6440 21380.5551 0.0000 0.0000 45418.7806 -222504.4445 165.2210 -267923.2250 -222097.3832 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5529 19421.7449 5733.3059 176.6827 -333645.3934 21358.4484 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 18210.5055 19441.9744 5746.5772 178.1492 -332787.3320 21379.5595 0.0000 0.0000 45302.6747 -222527.8914 164.7987 -267830.5662 -222091.0445 164.7987 784.0014 -2554.0368 921491.4634 784.0014 -2554.0368
ENERGY: 216 20973.4717 19522.5063 5756.9571 180.1770 -332560.1060 21436.4835 0.0000 0.0000 42442.1789 -222248.3315 154.3930 -264690.5104 -222073.6153 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3868 19581.4821 5762.2416 182.5517 -333010.6757 21497.2705 0.0000 0.0000 41983.6751 -222225.0680 152.7251 -264208.7431 -222064.4462 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9158 19540.0892 5761.2415 184.9927 -333856.1146 21546.6560 0.0000 0.0000 44178.6837 -222478.5358 160.7099 -266657.2195 -222068.8152 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
ENERGY: 219 19429.8640 19413.3932 5754.3577 187.2447 -334778.0708 21596.8807 0.0000 0.0000 45751.9299 -222644.4004 166.4329 -268396.3304 -222073.1717 166.4329 -4457.7332 -2810.5237 921491.4634 -4457.7332 -2810.5237
TIMING: 220 CPU: 105.015, 0.470617/step Wall: 105.015, 0.470617/step, 0.0366035 hours remaining, 3223.457031 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 21580.9143 19260.1138 5743.1672 189.1021 -335473.8432 21655.3183 0.0000 0.0000 44539.5741 -222505.6534 162.0227 -267045.2275 -222092.6288 162.0227 -5898.3511 -2876.6577 921491.4634 -5898.3511 -2876.6577
ENERGY: 221 24234.7390 19146.8280 5730.1601 190.4777 -335718.7275 21699.4243 0.0000 0.0000 42467.0190 -222250.0792 154.4833 -264717.0982 -222077.7835 154.4833 -6342.7097 -2884.3552 921491.4634 -6342.7097 -2884.3552
ENERGY: 222 23735.1224 19085.7310 5717.7679 191.2894 -335388.9914 21700.3076 0.0000 0.0000 42702.0389 -222256.7343 155.3383 -264958.7732 -222075.6637 155.3383 -5368.7278 -2838.7016 921491.4634 -5368.7278 -2838.7016
ENERGY: 223 20286.4336 19110.8428 5708.3528 191.5579 -334633.3913 21665.5241 0.0000 0.0000 45168.7532 -222501.9269 164.3115 -267670.6801 -222072.2456 164.3115 -3322.8076 -2753.9475 921491.4634 -3322.8076 -2753.9475
ENERGY: 224 17721.9818 19276.3019 5703.4616 191.3517 -333831.1557 21637.4892 0.0000 0.0000 46650.8781 -222649.6914 169.7031 -269300.5695 -222098.2844 169.7031 -1151.0970 -2650.6855 921491.4634 -1151.0970 -2650.6855
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ENERGY: 227 21011.1677 20670.4532 5712.3895 189.0770 -334317.7219 21728.2283 0.0000 0.0000 42721.7945 -222284.6117 155.4101 -265006.4062 -222080.2095 155.4101 -104.6490 -2553.6075 921491.4634 -104.6490 -2553.6075
ENERGY: 228 19866.2929 21035.8344 5716.6482 188.0081 -335312.4265 21761.2923 0.0000 0.0000 44242.5386 -222501.8121 160.9422 -266744.3506 -222102.7890 160.9422 -1440.0182 -2625.9673 921491.4634 -1440.0182 -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 21999.2455 20926.2537 5717.1889 185.9786 -336838.6562 21834.6450 0.0000 0.0000 43751.0553 -222424.2891 159.1543 -266175.3445 -222088.6906 159.1543 -4902.3779 -2766.0557 921491.4634 -4902.3779 -2766.0557
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ENERGY: 233 20035.6404 19318.2043 5703.4910 182.6157 -334889.2830 21760.7376 0.0000 0.0000 45350.0988 -222538.4952 164.9712 -267888.5940 -222089.6821 164.9712 -3899.2117 -2646.7387 921491.4634 -3899.2117 -2646.7387
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ENERGY: 236 20566.0777 18629.1001 5714.2865 178.3391 -332585.8848 21721.5012 0.0000 0.0000 43477.4015 -222299.1786 158.1588 -265776.5801 -222073.0118 158.1588 -108.6483 -2371.7044 921491.4634 -108.6483 -2371.7044
ENERGY: 237 20196.0058 18940.2031 5726.8243 176.7459 -333068.3186 21749.0156 0.0000 0.0000 43898.3781 -222381.1458 159.6902 -266279.5239 -222063.3604 159.6902 -172.1589 -2373.2012 921491.4634 -172.1589 -2373.2012
ENERGY: 238 19419.4414 19404.0885 5740.6977 175.0128 -333964.3152 21778.9043 0.0000 0.0000 44901.2438 -222544.9268 163.3384 -267446.1706 -222065.9776 163.3384 -987.6014 -2425.5310 921491.4634 -987.6014 -2425.5310
ENERGY: 239 20428.8616 19846.5441 5752.8836 173.1946 -334966.8378 21816.7508 0.0000 0.0000 44416.4635 -222532.1396 161.5749 -266948.6031 -222068.9824 161.5749 -2385.1781 -2499.0796 921491.4634 -2385.1781 -2499.0796
TIMING: 240 CPU: 114.421, 0.470304/step Wall: 114.421, 0.470304/step, 0.0339664 hours remaining, 3223.585938 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 22861.0419 20119.9137 5760.6910 171.4213 -335766.3626 21854.4253 0.0000 0.0000 42641.4777 -222357.3918 155.1180 -264998.8695 -222074.0952 155.1180 -3844.9084 -2568.3896 921491.4634 -3844.9084 -2568.3896
ENERGY: 241 23920.0052 20195.4875 5762.7124 169.9828 -336129.3252 21865.1032 0.0000 0.0000 41957.8936 -222258.1406 152.6313 -264216.0342 -222063.9157 152.6313 -4724.4491 -2616.3453 921491.4634 -4724.4491 -2616.3453
ENERGY: 242 22110.7717 20111.8211 5758.5348 169.0441 -335904.8196 21831.0567 0.0000 0.0000 43526.8719 -222396.7194 158.3388 -265923.5913 -222063.5735 158.3388 -4623.1688 -2633.0913 921491.4634 -4623.1688 -2633.0913
ENERGY: 243 19462.3621 19969.6447 5749.3614 168.8705 -335233.7068 21770.4748 0.0000 0.0000 45537.0689 -222575.9244 165.6513 -268112.9933 -222061.6673 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2464 19849.3935 5737.4544 169.6534 -334482.6009 21720.5676 0.0000 0.0000 45629.1663 -222554.1193 165.9864 -268183.2855 -222078.7769 165.9864 -2667.7298 -2573.2150 921491.4634 -2667.7298 -2573.2150
ENERGY: 245 20148.2368 19811.7599 5725.7785 171.4559 -334087.5945 21701.2470 0.0000 0.0000 44168.5249 -222360.5916 160.6730 -266529.1165 -222068.6364 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5481 19853.7024 5716.8932 174.1558 -334213.1204 21705.0850 0.0000 0.0000 43600.4183 -222284.3176 158.6063 -265884.7359 -222067.4294 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5288 19979.6439 5712.7400 177.5412 -334802.1840 21719.8454 0.0000 0.0000 44912.1912 -222431.6935 163.3782 -267343.8847 -222068.1392 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4925 20164.4295 5713.8450 181.3144 -335623.1350 21746.4311 0.0000 0.0000 46185.9362 -222595.6862 168.0117 -268781.6224 -222090.3124 168.0117 -1359.1246 -2608.3065 921491.4634 -1359.1246 -2608.3065
ENERGY: 249 20484.3304 20353.6193 5719.1623 185.0800 -336433.0062 21788.9033 0.0000 0.0000 45370.8152 -222531.0956 165.0466 -267901.9109 -222082.9708 165.0466 -2308.0285 -2671.2385 921491.4634 -2308.0285 -2671.2385
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 250 23155.2055 20422.5256 5726.1009 188.5682 -336907.4404 21832.9289 0.0000 0.0000 43252.1659 -222329.9455 157.3395 -265582.1114 -222084.2876 157.3395 -3365.2094 -2722.3879 921491.4634 -3365.2094 -2722.3879
ENERGY: 251 24002.1397 20302.5996 5731.6573 191.5295 -336816.8443 21849.8673 0.0000 0.0000 42475.2391 -222263.8118 154.5132 -264739.0509 -222084.8987 154.5132 -3958.0338 -2753.0723 921491.4634 -3958.0338 -2753.0723
ENERGY: 252 21994.9041 20013.1599 5733.2541 193.8023 -336093.2674 21826.9295 0.0000 0.0000 43905.3718 -222425.8456 159.7157 -266331.2174 -222091.3305 159.7157 -3843.4681 -2758.0338 921491.4634 -3843.4681 -2758.0338
ENERGY: 253 19499.8637 19667.1122 5729.5496 195.2411 -334977.1805 21784.0536 0.0000 0.0000 45520.0191 -222581.3412 165.5893 -268101.3602 -222082.7205 165.5893 -3300.1273 -2735.8132 921491.4634 -3300.1273 -2735.8132
ENERGY: 254 19073.0880 19348.2296 5720.5008 195.9622 -333839.8797 21752.6524 0.0000 0.0000 45220.9195 -222528.5272 164.5013 -267749.4467 -222080.4686 164.5013 -2707.1337 -2696.1701 921491.4634 -2707.1337 -2696.1701
ENERGY: 255 20324.2310 19109.4102 5707.6062 196.0620 -333099.9232 21746.1515 0.0000 0.0000 43667.4213 -222349.0410 158.8501 -266016.4623 -222078.3975 158.8501 -2282.5425 -2662.7814 921491.4634 -2282.5425 -2662.7814
ENERGY: 256 20899.4410 18950.9578 5693.4518 195.6570 -332975.5972 21757.6848 0.0000 0.0000 43181.1612 -222297.2437 157.0812 -265478.4049 -222071.2738 157.0812 -2042.2410 -2664.5199 921491.4634 -2042.2410 -2664.5199
ENERGY: 257 20029.5654 18878.1874 5681.1759 194.7976 -333481.0039 21780.2419 0.0000 0.0000 44488.5467 -222428.4889 161.8371 -266917.0357 -222060.1682 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5867 18882.0667 5673.2911 193.6684 -334373.1544 21817.5077 0.0000 0.0000 45796.2577 -222556.7761 166.5942 -268353.0338 -222062.0607 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
ENERGY: 259 20717.7707 18984.1031 5671.3007 192.3773 -335369.5276 21871.0066 0.0000 0.0000 45431.1555 -222501.8137 165.2661 -267932.9692 -222063.7305 165.2661 -2890.3670 -2780.4961 921491.4634 -2890.3670 -2780.4961
TIMING: 260 CPU: 123.818, 0.469809/step Wall: 123.818, 0.469809/step, 0.0313206 hours remaining, 3223.917969 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 22744.9540 19188.2464 5675.1875 191.0393 -336169.7727 21924.7893 0.0000 0.0000 44083.4306 -222362.1255 160.3634 -266445.5561 -222069.6812 160.3634 -3407.4793 -2810.9878 921491.4634 -3407.4793 -2810.9878
ENERGY: 261 23215.5572 19485.4657 5683.6413 189.7700 -336523.9798 21953.3902 0.0000 0.0000 43676.0233 -222320.1322 158.8814 -265996.1555 -222052.8235 158.8814 -3555.3694 -2822.8648 921491.4634 -3555.3694 -2822.8648
ENERGY: 262 21606.2724 19814.6778 5694.0656 188.7122 -336291.7857 21947.6074 0.0000 0.0000 44601.6345 -222438.8159 162.2485 -267040.4504 -222052.4322 162.2485 -3214.7560 -2810.4637 921491.4634 -3214.7560 -2810.4637
ENERGY: 263 19781.1228 20140.5623 5703.8103 187.9445 -335614.9711 21924.4740 0.0000 0.0000 45349.7770 -222527.2803 164.9700 -267877.0573 -222051.1546 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2259 20436.4306 5710.6950 187.5052 -334855.9509 21907.7772 0.0000 0.0000 44751.4784 -222476.8386 162.7936 -267228.3171 -222069.1981 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
ENERGY: 265 19946.8414 20681.9926 5713.6241 187.4392 -334395.6630 21906.0163 0.0000 0.0000 43607.6375 -222352.1118 158.6326 -265959.7493 -222054.3369 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7899 20788.8701 5712.1327 187.6137 -334399.4575 21914.4805 0.0000 0.0000 43399.3796 -222348.1909 157.8750 -265747.5705 -222054.3632 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0907 20691.2679 5707.0583 187.8501 -334831.4853 21930.8374 0.0000 0.0000 44220.2166 -222446.1643 160.8610 -266666.3810 -222055.6582 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9160 20375.7516 5700.1930 187.9286 -335513.7448 21959.1257 0.0000 0.0000 44823.5376 -222504.2922 163.0557 -267327.8298 -222075.9873 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
ENERGY: 269 21396.7812 19927.1703 5694.0390 187.7640 -336221.0660 21997.2160 0.0000 0.0000 44586.5099 -222431.5856 162.1935 -267018.0956 -222066.1971 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 22620.1931 19450.9168 5690.3173 187.1618 -336650.6773 22028.8070 0.0000 0.0000 44308.0076 -222365.2736 161.1804 -266673.2812 -222067.0432 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
ENERGY: 271 22345.5822 19078.8066 5690.0209 186.1610 -336571.7890 22035.2500 0.0000 0.0000 44829.4473 -222406.5210 163.0772 -267235.9683 -222066.8384 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5584 18896.0662 5692.8269 184.9335 -335921.4612 22015.0579 0.0000 0.0000 45607.7076 -222503.3107 165.9083 -268111.0183 -222081.1569 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9081 5697.5118 183.8526 -334925.7010 21985.5295 0.0000 0.0000 45502.7162 -222499.9692 165.5264 -268002.6854 -222069.0456 165.5264 -1837.1975 -2434.6759 921491.4634 -1837.1975 -2434.6759
ENERGY: 274 20074.7415 19121.4863 5701.6806 183.0070 -333931.6255 21965.2976 0.0000 0.0000 44478.5177 -222406.8949 161.8006 -266885.4126 -222066.8025 161.8006 -1366.5213 -2384.6634 921491.4634 -1366.5213 -2384.6634
ENERGY: 275 20005.4316 19374.0681 5703.3424 182.5376 -333318.5601 21960.8298 0.0000 0.0000 43741.9684 -222350.3821 159.1213 -266092.3505 -222065.7689 159.1213 -1269.7931 -2374.8868 921491.4634 -1269.7931 -2374.8868
ENERGY: 276 19401.8502 19594.7509 5701.2547 182.4904 -333292.1279 21971.0409 0.0000 0.0000 44028.5272 -222412.2137 160.1637 -266440.7409 -222072.9392 160.1637 -1580.1301 -2417.6041 921491.4634 -1580.1301 -2417.6041
ENERGY: 277 19149.2973 19724.7161 5695.5210 182.9396 -333864.3452 21997.2386 0.0000 0.0000 44632.8111 -222481.8214 162.3619 -267114.6326 -222061.0985 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4577 19713.7761 5686.9122 183.6585 -334821.1001 22041.3358 0.0000 0.0000 44532.2540 -222463.7058 161.9961 -266995.9599 -222063.4128 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
ENERGY: 279 21984.3648 19593.9432 5677.5176 184.5187 -335888.5798 22096.4198 0.0000 0.0000 43975.0881 -222376.7276 159.9693 -266351.8158 -222065.2020 159.9693 -4044.3213 -2682.8390 921491.4634 -4044.3213 -2682.8390
TIMING: 280 CPU: 133.208, 0.46953/step Wall: 133.208, 0.46953/step, 0.0286935 hours remaining, 3223.917969 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 22859.3229 19458.4367 5670.0026 185.3899 -336752.6630 22145.1353 0.0000 0.0000 44066.7340 -222367.6416 160.3027 -266434.3756 -222073.4244 160.3027 -4286.3893 -2748.0546 921491.4634 -4286.3893 -2748.0546
ENERGY: 281 22172.5959 19445.1183 5667.0588 186.2206 -337154.6801 22172.1191 0.0000 0.0000 45063.2423 -222448.3250 163.9277 -267511.5674 -222064.8516 163.9277 -3881.2951 -2782.5902 921491.4634 -3881.2951 -2782.5902
ENERGY: 282 20943.7899 19615.5379 5669.9796 186.8360 -336942.5033 22176.7653 0.0000 0.0000 45823.3370 -222526.2575 166.6927 -268349.5945 -222063.3313 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
ENERGY: 283 20432.1061 19966.6615 5678.8137 187.1634 -336251.9200 22171.0647 0.0000 0.0000 45328.8521 -222487.2584 164.8939 -267816.1106 -222060.8457 164.8939 -2008.7737 -2748.2307 921491.4634 -2008.7737 -2748.2307
ENERGY: 284 20506.3998 20401.8823 5692.0830 187.1346 -335412.6300 22166.2909 0.0000 0.0000 44071.4482 -222387.3913 160.3198 -266458.8395 -222061.5538 160.3198 -1267.2792 -2712.3902 921491.4634 -1267.2792 -2712.3902
ENERGY: 285 20203.3287 20789.9630 5707.3564 186.7145 -334827.1966 22167.0165 0.0000 0.0000 43418.2632 -222354.5543 157.9437 -265772.8175 -222053.5965 157.9437 -1010.8439 -2700.0821 921491.4634 -1010.8439 -2700.0821
ENERGY: 286 19396.6310 20966.5623 5721.5031 185.8229 -334658.1149 22176.6862 0.0000 0.0000 43785.6882 -222425.2210 159.2803 -266210.9092 -222054.0580 159.2803 -1306.7503 -2717.2848 921491.4634 -1306.7503 -2717.2848
ENERGY: 287 19176.1192 20856.7824 5731.9346 184.4714 -334918.1480 22200.2909 0.0000 0.0000 44282.9438 -222485.6057 161.0892 -266768.5495 -222055.7251 161.0892 -2148.9614 -2753.3345 921491.4634 -2148.9614 -2753.3345
ENERGY: 288 20263.2088 20475.2852 5736.9557 182.7335 -335468.3147 22237.9037 0.0000 0.0000 44116.9905 -222455.2373 160.4855 -266572.2279 -222066.9051 160.4855 -3310.5880 -2790.1554 921491.4634 -3310.5880 -2790.1554
ENERGY: 289 21886.4833 19928.6979 5736.1905 180.7560 -336126.9121 22279.0689 0.0000 0.0000 43733.4515 -222382.2640 159.0903 -266115.7154 -222062.2722 159.0903 -4368.9814 -2809.8750 921491.4634 -4368.9814 -2809.8750
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 290 22615.9843 19325.5266 5730.3279 178.6973 -336571.4572 22308.2174 0.0000 0.0000 44027.4237 -222385.2801 160.1597 -266412.7037 -222063.4682 160.1597 -4815.3286 -2796.0390 921491.4634 -4815.3286 -2796.0390
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LDB: ============= START OF LOAD BALANCING ============== 148.62
LDB: Largest compute 200 load 0.518716 is 1.1% of average load 45.783690
LDB: Average compute 0.064125 is 0.1% of average load 45.783690
LDB: TIME 148.622 LOAD: AVG 45.7837 MAX 47.006 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.34 MB
LDB: TIME 148.622 LOAD: AVG 45.7837 MAX 47.006 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.34 MB
LDB: TIME 148.638 LOAD: AVG 45.7837 MAX 46.3009 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.34 MB
LDB: ============== END OF LOAD BALANCING =============== 148.639
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.641
Info: Initial time: 4 CPUs 0.469739 s/step 5.43679 days/ns 3224.34 MB memory
TIMING: 300 CPU: 142.598, 0.469496/step Wall: 142.598, 0.469496/step, 0.0260831 hours remaining, 3224.335938 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: 302 21723.0647 20395.7908 5720.2599 184.8676 -337483.0152 22416.9292 0.0000 0.0000 44599.2671 -222442.8360 162.2399 -267042.1031 -222057.3399 162.2399 -3958.8648 -2554.2736 921491.4634 -3958.8648 -2554.2736
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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: 151.825, 0.46136/step Wall: 151.825, 0.46136/step, 0.023068 hours remaining, 3224.335938 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: 326 18959.6362 20052.8004 5675.9627 186.2078 -334820.0102 22490.4167 0.0000 0.0000 44971.8224 -222483.1640 163.5951 -267454.9863 -222059.6106 163.5951 -572.2142 -2503.0558 921491.4634 -572.2142 -2503.0558
ENERGY: 327 20020.7821 19506.2793 5669.7116 187.2139 -334851.2527 22513.0144 0.0000 0.0000 44550.7427 -222403.5087 162.0634 -266954.2514 -222059.8758 162.0634 -657.4992 -2506.5014 921491.4634 -657.4992 -2506.5014
ENERGY: 328 20934.1978 19092.0091 5666.7484 187.7399 -335303.4707 22549.7451 0.0000 0.0000 44493.2359 -222379.7945 161.8542 -266873.0304 -222061.7256 161.8542 -1393.2038 -2547.3518 921491.4634 -1393.2038 -2547.3518
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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: 337 20420.1633 19649.7062 5693.3319 179.7347 -334824.3558 22536.4221 0.0000 0.0000 43995.6002 -222349.3974 160.0439 -266344.9976 -222040.1023 160.0439 -1064.7184 -2460.5860 921491.4634 -1064.7184 -2460.5860
ENERGY: 338 21007.5745 19722.4643 5687.5590 179.5437 -335808.8620 22564.1943 0.0000 0.0000 44285.9176 -222361.6086 161.1000 -266647.5263 -222041.5956 161.1000 -1500.9499 -2462.8576 921491.4634 -1500.9499 -2462.8576
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TIMING: 340 CPU: 161.045, 0.460959/step Wall: 161.045, 0.460959/step, 0.0204871 hours remaining, 3224.335938 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 360 CPU: 170.255, 0.460517/step Wall: 170.255, 0.460517/step, 0.017909 hours remaining, 3224.335938 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 20646.4610 20251.1593 5706.5521 182.3248 -335763.5806 22794.3771 0.0000 0.0000 43848.2760 -222334.4301 159.5080 -266182.7061 -222041.4011 159.5080 -1819.5860 -2472.4986 921491.4634 -1819.5860 -2472.4986
ENERGY: 378 20473.8102 20495.6595 5711.4639 183.2952 -336584.2283 22821.5835 0.0000 0.0000 44474.7542 -222423.6619 161.7869 -266898.4161 -222044.3966 161.7869 -2972.9874 -2523.3499 921491.4634 -2972.9874 -2523.3499
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TIMING: 380 CPU: 179.461, 0.460326/step Wall: 179.461, 0.460326/step, 0.0153442 hours remaining, 3224.335938 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: 385 19327.8181 19356.8913 5707.7751 177.4354 -335210.6401 22871.6141 0.0000 0.0000 45299.7173 -222469.3888 164.7879 -267769.1061 -222051.0992 164.7879 215.3513 -2064.3636 921491.4634 215.3513 -2064.3636
ENERGY: 386 19981.2274 19220.9466 5707.6637 175.9385 -334865.1818 22880.7955 0.0000 0.0000 44519.8587 -222378.7514 161.9510 -266898.6101 -222051.0436 161.9510 122.6667 -2011.2428 921491.4634 122.6667 -2011.2428
ENERGY: 387 20367.2862 19202.4846 5710.9354 174.6759 -335109.8726 22905.2742 0.0000 0.0000 44377.1816 -222372.0348 161.4320 -266749.2163 -222053.0049 161.4320 -738.9587 -2019.1689 921491.4634 -738.9587 -2019.1689
ENERGY: 388 20282.3988 19280.0170 5717.2934 173.7038 -335824.1515 22938.2898 0.0000 0.0000 44972.7760 -222459.6726 163.5986 -267432.4487 -222067.4813 163.5986 -2063.8554 -2076.2820 921491.4634 -2063.8554 -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 19692.8118 20133.3592 5716.9814 176.0456 -336812.3380 23014.0586 0.0000 0.0000 45592.7320 -222486.3494 165.8538 -268079.0814 -222045.7220 165.8538 -1710.2239 -2443.6966 921491.4634 -1710.2239 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 194.716
LDB: Largest compute 230 load 0.526806 is 1.2% of average load 45.666100
LDB: Average compute 0.063955 is 0.1% of average load 45.666100
LDB: TIME 194.717 LOAD: AVG 45.6661 MAX 46.0747 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.34 MB
LDB: TIME 194.718 LOAD: AVG 45.6661 MAX 46.0747 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.34 MB
LDB: TIME 194.718 LOAD: AVG 45.6661 MAX 46.0747 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.34 MB
LDB: ============== END OF LOAD BALANCING =============== 194.719
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.719
Info: Benchmark time: 4 CPUs 0.46071 s/step 5.33229 days/ns 3224.34 MB memory
TIMING: 400 CPU: 188.673, 0.460594/step Wall: 188.673, 0.460594/step, 0.0127943 hours remaining, 3224.335938 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 20784.9693 19778.4828 5715.7218 174.2695 -337239.9777 23077.8404 0.0000 0.0000 45225.5957 -222483.0982 164.5183 -267708.6939 -222046.6851 164.5183 -3613.5977 -2605.7428 921491.4634 -3613.5977 -2605.7428
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 416 19942.3170 20661.9898 5710.0857 195.6953 -336157.5859 23063.1713 0.0000 0.0000 44200.2850 -222384.0418 160.7885 -266584.3268 -222052.9641 160.7885 -282.7615 -2224.6897 921491.4634 -282.7615 -2224.6897
ENERGY: 417 20031.3752 20631.3210 5709.0494 192.4696 -336373.1074 23072.1095 0.0000 0.0000 44338.4619 -222398.3206 161.2911 -266736.7826 -222044.6990 161.2911 -112.4555 -2227.1700 921491.4634 -112.4555 -2227.1700
ENERGY: 418 20154.6650 20457.0910 5705.5847 188.6536 -336970.7865 23098.6722 0.0000 0.0000 44915.1424 -222450.9775 163.3889 -267366.1199 -222046.7090 163.3889 -671.8548 -2269.9922 921491.4634 -671.8548 -2269.9922
ENERGY: 419 20790.7632 20185.5524 5700.4811 184.6055 -337717.8753 23139.8019 0.0000 0.0000 45250.3103 -222466.3610 164.6082 -267716.6713 -222049.5947 164.6082 -1783.9423 -2336.6466 921491.4634 -1783.9423 -2336.6466
TIMING: 420 CPU: 197.856, 0.45912/step Wall: 197.856, 0.45912/step, 0.0102027 hours remaining, 3224.335938 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 19598.5318 19595.2895 5707.1504 168.7509 -335498.4304 23074.4997 0.0000 0.0000 44915.2775 -222438.9305 163.3894 -267354.2081 -222048.7333 163.3894 -741.9012 -2207.6356 921491.4634 -741.9012 -2207.6356
ENERGY: 428 20140.4229 19760.4168 5710.4629 168.5259 -336199.9839 23087.7666 0.0000 0.0000 44884.2595 -222448.1293 163.2766 -267332.3888 -222058.0545 163.2766 -935.5735 -2206.9586 921491.4634 -935.5735 -2206.9586
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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 22013.9872 20024.3737 5712.1700 168.1897 -338096.9190 23149.4481 0.0000 0.0000 44626.3100 -222402.4402 162.3383 -267028.7502 -222047.3911 162.3383 -2472.2458 -2268.0467 921491.4634 -2472.2458 -2268.0467
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ENERGY: 432 21768.3703 20188.6726 5710.3547 168.1086 -338651.2085 23176.0834 0.0000 0.0000 45177.9908 -222461.6282 164.3451 -267639.6190 -222065.9055 164.3451 -3350.2742 -2296.1499 921491.4634 -3350.2742 -2296.1499
ENERGY: 433 21200.9070 20275.9666 5710.3763 168.4633 -338164.0621 23162.2898 0.0000 0.0000 45192.9283 -222453.1308 164.3995 -267646.0592 -222052.5979 164.3995 -3187.3733 -2272.1278 921491.4634 -3187.3733 -2272.1278
ENERGY: 434 20730.3409 20338.1501 5711.6061 169.3247 -337394.2688 23140.7722 0.0000 0.0000 44883.0998 -222420.9749 163.2724 -267304.0747 -222051.1459 163.2724 -2694.3109 -2227.7887 921491.4634 -2694.3109 -2227.7887
ENERGY: 435 20235.2198 20362.4017 5714.0003 170.8455 -336680.6539 23123.4084 0.0000 0.0000 44675.9840 -222398.7941 162.5190 -267074.7782 -222049.5886 162.5190 -2061.3584 -2179.8953 921491.4634 -2061.3584 -2179.8953
ENERGY: 436 19670.9243 20349.9983 5717.2345 173.0864 -336303.8798 23119.9064 0.0000 0.0000 44847.0983 -222425.6315 163.1414 -267272.7298 -222059.6957 163.1414 -1520.6602 -2145.1620 921491.4634 -1520.6602 -2145.1620
ENERGY: 437 19434.5517 20329.5093 5720.9894 175.9827 -336411.9771 23136.3854 0.0000 0.0000 45159.2687 -222455.2898 164.2770 -267614.5585 -222050.7500 164.2770 -1319.1173 -2134.4851 921491.4634 -1319.1173 -2134.4851
ENERGY: 438 19935.1533 20278.6096 5724.6884 179.3849 -336899.4562 23173.5505 0.0000 0.0000 45148.1325 -222459.9371 164.2365 -267608.0696 -222051.5666 164.2365 -1493.0945 -2145.0884 921491.4634 -1493.0945 -2145.0884
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TIMING: 440 CPU: 207.033, 0.458888/step Wall: 207.033, 0.458888/step, 0.00764814 hours remaining, 3224.335938 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5683 20036.2372 5729.7527 186.7202 -338123.1788 23276.2472 0.0000 0.0000 44417.5459 -222405.1074 161.5788 -266822.6534 -222059.4768 161.5788 -2408.4614 -2197.9673 921491.4634 -2408.4614 -2197.9673
ENERGY: 441 22355.5486 19860.0409 5730.3488 190.1146 -338361.1696 23313.2031 0.0000 0.0000 44502.6963 -222409.2174 161.8886 -266911.9137 -222050.0855 161.8886 -2716.1028 -2221.5315 921491.4634 -2716.1028 -2221.5315
ENERGY: 442 21853.6117 19664.5349 5729.4854 192.9412 -338090.1512 23327.1554 0.0000 0.0000 44880.6319 -222441.7908 163.2634 -267322.4227 -222049.7750 163.2634 -2710.5576 -2229.0698 921491.4634 -2710.5576 -2229.0698
ENERGY: 443 21064.3312 19487.0721 5727.6165 194.9329 -337369.3129 23320.0144 0.0000 0.0000 45118.1108 -222457.2349 164.1273 -267575.3457 -222048.5991 164.1273 -2448.1649 -2220.3533 921491.4634 -2448.1649 -2220.3533
ENERGY: 444 20449.3359 19357.2688 5725.4095 195.8735 -336464.1907 23301.5262 0.0000 0.0000 44987.7180 -222447.0589 163.6530 -267434.7769 -222057.9798 163.6530 -2090.2102 -2206.4403 921491.4634 -2090.2102 -2206.4403
ENERGY: 445 20125.5605 19307.2515 5723.6513 195.6942 -335759.3901 23283.8125 0.0000 0.0000 44708.7158 -222414.7042 162.6380 -267123.4200 -222046.5429 162.6380 -1846.9629 -2201.6929 921491.4634 -1846.9629 -2201.6929
ENERGY: 446 19947.6805 19324.9004 5722.5430 194.3235 -335494.5698 23276.0437 0.0000 0.0000 44620.2948 -222408.7839 162.3164 -267029.0787 -222046.1621 162.3164 -1800.7523 -2216.7297 921491.4634 -1800.7523 -2216.7297
ENERGY: 447 19914.2850 19416.0209 5722.2107 191.8642 -335769.4392 23282.7445 0.0000 0.0000 44816.5090 -222425.8050 163.0301 -267242.3140 -222046.8343 163.0301 -1993.3118 -2253.0607 921491.4634 -1993.3118 -2253.0607
ENERGY: 448 20187.5923 19583.6800 5722.5765 188.5554 -336503.1792 23303.8891 0.0000 0.0000 45065.6677 -222451.2183 163.9365 -267516.8860 -222059.3478 163.9365 -2372.1883 -2303.7901 921491.4634 -2372.1883 -2303.7901
ENERGY: 449 20877.4059 19832.6987 5723.5713 184.8596 -337500.9064 23334.5911 0.0000 0.0000 45101.1681 -222446.6117 164.0657 -267547.7798 -222047.7097 164.0657 -2827.1085 -2356.1410 921491.4634 -2827.1085 -2356.1410
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4853 20108.1302 5724.4776 181.0898 -338419.3243 23364.6231 0.0000 0.0000 44854.3099 -222432.2084 163.1677 -267286.5183 -222048.7858 163.1677 -3116.6760 -2394.3899 921491.4634 -3116.6760 -2394.3899
ENERGY: 451 22355.5902 20357.7258 5724.7144 177.6517 -338952.0902 23381.7996 0.0000 0.0000 44542.6988 -222411.9098 162.0341 -266954.6086 -222048.8243 162.0341 -3074.2535 -2405.7800 921491.4634 -3074.2535 -2405.7800
ENERGY: 452 22246.2014 20536.0138 5723.8953 174.8859 -338927.1532 23378.0933 0.0000 0.0000 44452.9197 -222415.1438 161.7075 -266868.0635 -222059.6369 161.7075 -2659.9607 -2384.7571 921491.4634 -2659.9607 -2384.7571
ENERGY: 453 21399.8724 20641.1314 5722.2879 173.1350 -338392.7929 23354.5898 0.0000 0.0000 44683.7036 -222418.0729 162.5470 -267101.7764 -222043.5370 162.5470 -2048.3340 -2342.4671 921491.4634 -2048.3340 -2342.4671
ENERGY: 454 20248.3379 20654.1377 5720.2217 172.3637 -337567.1411 23320.6893 0.0000 0.0000 45008.1468 -222443.2440 163.7273 -267451.3909 -222041.8390 163.7273 -1453.4581 -2293.1453 921491.4634 -1453.4581 -2293.1453
ENERGY: 455 19486.7906 20584.7123 5718.4844 172.5169 -336790.6450 23290.4015 0.0000 0.0000 45086.5791 -222451.1602 164.0126 -267537.7393 -222040.8568 164.0126 -1151.8827 -2255.8574 921491.4634 -1151.8827 -2255.8574
ENERGY: 456 19493.3723 20440.6803 5717.7556 173.4249 -336350.1074 23274.9624 0.0000 0.0000 44811.4726 -222438.4393 163.0118 -267249.9120 -222055.3484 163.0118 -1305.5008 -2245.5826 921491.4634 -1305.5008 -2245.5826
ENERGY: 457 20047.4930 20251.9438 5718.5580 174.9241 -336395.8163 23277.8268 0.0000 0.0000 44521.8705 -222403.2000 161.9583 -266925.0706 -222049.4131 161.9583 -1906.4170 -2263.5016 921491.4634 -1906.4170 -2263.5016
ENERGY: 458 20585.8435 20019.2726 5720.7061 176.6081 -336835.0956 23294.7167 0.0000 0.0000 44632.7890 -222405.1597 162.3618 -267037.9487 -222051.2820 162.3618 -2684.6992 -2301.0430 921491.4634 -2684.6992 -2301.0430
ENERGY: 459 20903.4944 19784.9693 5724.0022 178.1985 -337468.1639 23318.6977 0.0000 0.0000 45113.9368 -222444.8651 164.1121 -267558.8019 -222053.1409 164.1121 -3350.5835 -2341.5799 921491.4634 -3350.5835 -2341.5799
TIMING: 460 CPU: 216.21, 0.458838/step Wall: 216.21, 0.458838/step, 0.0050982 hours remaining, 3224.335938 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6137 19597.9066 5728.0972 179.4910 -338014.3762 23341.7996 0.0000 0.0000 45423.8566 -222480.6114 165.2395 -267904.4680 -222064.6833 165.2395 -3669.8203 -2365.2414 921491.4634 -3669.8203 -2365.2414
ENERGY: 461 21862.8762 19507.1078 5732.5753 180.4333 -338251.6210 23355.3931 0.0000 0.0000 45154.6138 -222458.6217 164.2601 -267613.2354 -222058.0504 164.2601 -3556.1667 -2361.1801 921491.4634 -3556.1667 -2361.1801
ENERGY: 462 22264.2254 19487.8111 5736.4823 180.9531 -337988.7164 23351.1082 0.0000 0.0000 44559.9291 -222408.2072 162.0968 -266968.1363 -222056.7211 162.0968 -2954.8200 -2323.4252 921491.4634 -2954.8200 -2323.4252
ENERGY: 463 21821.1790 19513.9017 5738.9361 181.1160 -337284.1023 23326.9474 0.0000 0.0000 44313.4572 -222388.5650 161.2002 -266702.0221 -222054.6239 161.2002 -2012.4424 -2264.0779 921491.4634 -2012.4424 -2264.0779
ENERGY: 464 20535.2459 19559.9273 5739.2518 181.0096 -336389.3837 23291.1939 0.0000 0.0000 44654.0269 -222428.7284 162.4391 -267082.7553 -222058.5728 162.4391 -1050.9228 -2205.5270 921491.4634 -1050.9228 -2205.5270
ENERGY: 465 19322.7826 19631.8854 5737.2899 180.7155 -335701.1532 23259.7389 0.0000 0.0000 45094.5690 -222474.1719 164.0416 -267568.7409 -222052.9387 164.0416 -512.3349 -2174.4010 921491.4634 -512.3349 -2174.4010
ENERGY: 466 19088.4511 19708.3582 5733.2107 180.2808 -335443.7725 23245.0602 0.0000 0.0000 45020.7909 -222467.6206 163.7733 -267488.4115 -222052.9785 163.7733 -630.3317 -2182.6712 921491.4634 -630.3317 -2182.6712
ENERGY: 467 19841.8071 19783.1743 5727.6704 179.7757 -335721.0951 23249.4528 0.0000 0.0000 44523.6667 -222415.5482 161.9649 -266939.2148 -222054.3494 161.9649 -1393.6033 -2232.5926 921491.4634 -1393.6033 -2232.5926
ENERGY: 468 20761.8482 19845.4944 5721.5090 179.2779 -336451.5666 23265.8124 0.0000 0.0000 44291.6587 -222385.9660 161.1209 -266677.6247 -222056.3588 161.1209 -2508.6716 -2314.1341 921491.4634 -2508.6716 -2314.1341
ENERGY: 469 21236.3015 19910.2023 5715.6824 178.8504 -337458.3201 23284.3961 0.0000 0.0000 44720.3204 -222412.5670 162.6802 -267132.8874 -222046.0747 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 21411.1731 19972.8936 5710.9491 178.5947 -338383.2507 23297.0672 0.0000 0.0000 45346.4575 -222466.1154 164.9579 -267812.5729 -222047.6086 164.9579 -4259.6995 -2477.6831 921491.4634 -4259.6995 -2477.6831
ENERGY: 471 21732.8678 20054.6837 5707.9626 178.5890 -338913.2451 23297.5085 0.0000 0.0000 45471.3367 -222470.2968 165.4122 -267941.6335 -222047.5357 165.4122 -4290.5683 -2504.3175 921491.4634 -4290.5683 -2504.3175
ENERGY: 472 22081.2360 20161.5553 5707.0091 178.9047 -338870.6766 23279.4491 0.0000 0.0000 45028.5297 -222433.9926 163.8014 -267462.5224 -222059.5055 163.8014 -3659.7360 -2479.9184 921491.4634 -3659.7360 -2479.9184
ENERGY: 473 21866.1361 20289.3428 5707.9843 179.6165 -338307.7190 23240.7364 0.0000 0.0000 44634.5174 -222389.3856 162.3681 -267023.9031 -222043.8537 162.3681 -2556.3615 -2408.1658 921491.4634 -2556.3615 -2408.1658
ENERGY: 474 20842.9703 20372.0988 5710.2161 180.7466 -337438.4551 23189.2349 0.0000 0.0000 44733.2307 -222409.9579 162.7272 -267143.1886 -222041.2617 162.7272 -1295.5524 -2316.2728 921491.4634 -1295.5524 -2316.2728
ENERGY: 475 19674.2080 20371.7676 5712.9876 182.2512 -336604.2312 23142.3818 0.0000 0.0000 45070.2137 -222450.4214 163.9531 -267520.6350 -222039.4527 163.9531 -344.6450 -2232.2126 921491.4634 -344.6450 -2232.2126
ENERGY: 476 19235.7863 20282.0276 5715.7683 184.0125 -336100.0902 23115.8467 0.0000 0.0000 45106.0629 -222460.5858 164.0835 -267566.6487 -222053.6135 164.0835 -92.4051 -2183.0652 921491.4634 -92.4051 -2183.0652
ENERGY: 477 19704.7251 20145.9816 5718.4976 185.9230 -336101.8786 23114.2940 0.0000 0.0000 44812.3203 -222420.1371 163.0149 -267232.4574 -222044.8408 163.0149 -667.4947 -2171.8228 921491.4634 -667.4947 -2171.8228
ENERGY: 478 20493.4776 19974.7641 5721.0254 187.7262 -336537.4031 23131.2460 0.0000 0.0000 44627.0326 -222402.1311 162.3409 -267029.1637 -222047.4103 162.3409 -1807.1605 -2198.7956 921491.4634 -1807.1605 -2198.7956
ENERGY: 479 21125.3057 19793.3959 5723.3295 189.2099 -337215.5830 23156.6771 0.0000 0.0000 44802.1570 -222425.5079 162.9779 -267227.6649 -222050.5457 162.9779 -3089.8515 -2246.7917 921491.4634 -3089.8515 -2246.7917
TIMING: 480 CPU: 225.38, 0.458508/step Wall: 225.38, 0.458508/step, 0.00254727 hours remaining, 3224.335938 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 19623.1967 5725.3111 190.1901 -337854.6773 23181.5117 0.0000 0.0000 45051.6806 -222458.7546 163.8856 -267510.4352 -222064.6206 163.8856 -4077.7325 -2291.4891 921491.4634 -4077.7325 -2291.4891
ENERGY: 481 22092.4852 19510.0435 5727.0953 190.6351 -338199.2466 23196.7957 0.0000 0.0000 45041.3359 -222440.8559 163.8480 -267482.1918 -222052.5262 163.8480 -4466.2392 -2305.6732 921491.4634 -4466.2392 -2305.6732
ENERGY: 482 22186.3465 19466.6795 5728.4964 190.3598 -338044.5402 23192.7472 0.0000 0.0000 44865.8511 -222414.0596 163.2096 -267279.9108 -222051.4109 163.2096 -4059.3096 -2278.0615 921491.4634 -4059.3096 -2278.0615
ENERGY: 483 21553.1410 19511.5745 5729.5660 189.3227 -337426.2168 23165.8738 0.0000 0.0000 44861.8962 -222414.8426 163.1952 -267276.7388 -222048.7668 163.1952 -2964.1721 -2216.4116 921491.4634 -2964.1721 -2216.4116
ENERGY: 484 20460.8923 19631.1939 5730.2465 187.5455 -336590.8870 23126.1349 0.0000 0.0000 45003.6025 -222451.2714 163.7107 -267454.8739 -222059.8739 163.7107 -1565.2424 -2143.1850 921491.4634 -1565.2424 -2143.1850
ENERGY: 485 19688.7720 19800.2991 5730.5256 185.2458 -335902.5853 23092.8467 0.0000 0.0000 44955.5719 -222449.3242 163.5360 -267404.8961 -222045.9602 163.5360 -422.1571 -2086.8736 921491.4634 -422.1571 -2086.8736
ENERGY: 486 19602.5428 19954.8175 5729.7198 182.4662 -335612.3557 23080.3804 0.0000 0.0000 44645.9111 -222416.5178 162.4096 -267062.4289 -222044.6757 162.4096 87.3178 -2070.0983 921491.4634 87.3178 -2070.0983
ENERGY: 487 19881.0927 20072.0212 5727.4348 179.4360 -335846.4473 23091.0540 0.0000 0.0000 44503.3490 -222392.0596 161.8910 -266895.4086 -222045.2404 161.8910 -192.2349 -2106.8842 921491.4634 -192.2349 -2106.8842
ENERGY: 488 20125.2099 20156.1361 5723.5441 176.4338 -336552.5443 23118.8612 0.0000 0.0000 44827.0556 -222425.3036 163.0685 -267252.3592 -222057.1933 163.0685 -1145.7537 -2194.6682 921491.4634 -1145.7537 -2194.6682
ENERGY: 489 20526.8871 20236.4609 5718.5749 173.8639 -337540.4646 23156.7305 0.0000 0.0000 45266.1006 -222461.8467 164.6656 -267727.9473 -222045.6080 164.6656 -2511.2407 -2316.7069 921491.4634 -2511.2407 -2316.7069
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 20292.9022 5712.8912 171.8438 -338458.1353 23196.4871 0.0000 0.0000 45213.5632 -222459.6988 164.4745 -267673.2620 -222048.2202 164.4745 -3823.4040 -2437.4157 921491.4634 -3823.4040 -2437.4157
ENERGY: 491 22430.4638 20312.1362 5707.3795 170.5404 -338984.5786 23226.0931 0.0000 0.0000 44733.0094 -222404.9563 162.7264 -267137.9657 -222049.4632 162.7264 -4629.6935 -2524.6217 921491.4634 -4629.6935 -2524.6217
ENERGY: 492 22612.9545 20289.6813 5702.9944 170.0208 -338937.5813 23232.7198 0.0000 0.0000 44542.1957 -222387.0148 162.0323 -266929.2105 -222060.3858 162.0323 -4606.8526 -2557.4733 921491.4634 -4606.8526 -2557.4733
ENERGY: 493 21558.2186 20260.7377 5700.7779 170.3201 -338358.0633 23214.0529 0.0000 0.0000 45033.8237 -222420.1324 163.8207 -267453.9561 -222046.5898 163.8207 -3796.3822 -2540.1000 921491.4634 -3796.3822 -2540.1000
ENERGY: 494 20068.3366 20225.0265 5700.9806 171.2193 -337454.3837 23183.0787 0.0000 0.0000 45622.2483 -222483.4937 165.9612 -268105.7420 -222044.0865 165.9612 -2500.8997 -2482.1073 921491.4634 -2500.8997 -2482.1073
ENERGY: 495 19383.2465 20186.8306 5703.5926 172.5416 -336566.9890 23159.4616 0.0000 0.0000 45484.1239 -222477.1923 165.4587 -267961.3161 -222041.5561 165.4587 -1249.6844 -2407.3060 921491.4634 -1249.6844 -2407.3060
ENERGY: 496 19722.4837 20130.6477 5708.0350 174.0933 -335998.7163 23154.2626 0.0000 0.0000 44699.5278 -222409.6661 162.6046 -267109.1939 -222049.0671 162.6046 -478.9007 -2343.4758 921491.4634 -478.9007 -2343.4758
ENERGY: 497 20212.6670 20059.9181 5713.4613 175.7242 -335952.5048 23166.3536 0.0000 0.0000 44261.0296 -222363.3511 161.0095 -266624.3807 -222042.7501 161.0095 -421.0241 -2316.7935 921491.4634 -421.0241 -2316.7935
ENERGY: 498 20182.0166 19957.1219 5718.5596 177.2604 -336366.4936 23189.3575 0.0000 0.0000 44728.2542 -222413.9234 162.7091 -267142.1776 -222044.5220 162.7091 -993.4687 -2331.6480 921491.4634 -993.4687 -2331.6480
ENERGY: 499 20158.0678 19847.7311 5722.4089 178.6361 -337058.4824 23219.2393 0.0000 0.0000 45439.2651 -222493.1340 165.2956 -267932.3990 -222047.2063 165.2956 -2020.8693 -2376.3397 921491.4634 -2020.8693 -2376.3397
Info: Benchmark time: 4 CPUs 0.458018 s/step 5.30113 days/ns 3224.34 MB memory
TIMING: 500 CPU: 234.475, 0.454742/step Wall: 234.475, 0.454742/step, 0 hours remaining, 3224.335938 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 20974.8935 19756.6586 5724.4523 179.8271 -337741.4183 23251.0997 0.0000 0.0000 45359.0783 -222495.4087 165.0039 -267854.4870 -222061.0905 165.0039 -3197.5168 -2425.4144 921491.4634 -3197.5168 -2425.4144
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, 3229.590 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.590 MB of memory in use
====================================================
WallClock: 241.406555 CPUTime: 241.406555 Memory: 3229.589844 MB
[Partition 0][Node 0] End of program
Application 109738851 resources: utime ~949s, stime ~19s, Rss ~126984, inblocks ~67012, outblocks ~72238
Displaying status file:
verified
WALL=241.406555
CPU=241.406555
MEM=3229.589844
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins16963064151396612487.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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