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 ============== 54.6876
LDB: Largest compute 200 load 0.428960 is 1.2% of average load 36.846723
LDB: Average compute 0.051619 is 0.1% of average load 36.846723
LDB: Partitioning computes with target load 3.684672
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055442
LDB: ============== END OF LOAD BALANCING =============== 54.6898
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.6906
Info: Initial time: 4 CPUs 0.4748 s/step 5.49537 days/ns 3221.58 MB memory
TIMING: 100 CPU: 48.4531, 0.473759/step Wall: 48.4531, 0.473759/step, 0.0526399 hours remaining, 3221.578125 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 ============== 64.1468
LDB: ============== END OF LOAD BALANCING =============== 64.1469
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.1473
TIMING: 120 CPU: 57.9099, 0.472838/step Wall: 57.9098, 0.472838/step, 0.0499106 hours remaining, 3221.757812 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: 127 20034.1248 19457.5518 5728.8730 183.8512 -331985.2679 21088.4979 0.0000 0.0000 43047.2720 -222445.0973 156.5941 -265492.3693 -222223.2518 156.5941 -2122.5055 -2533.3235 921491.4634 -2122.5055 -2533.3235
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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 -334776.0135 21118.0422 0.0000 0.0000 44811.1497 -222472.9666 163.0106 -267284.1163 -222216.5363 163.0106 -5536.0556 -2842.3154 921491.4634 -5536.0556 -2842.3154
ENERGY: 131 21530.9956 19804.6627 5745.0872 187.0957 -335083.2643 21105.7069 0.0000 0.0000 44221.5103 -222488.2058 160.8657 -266709.7161 -222215.1804 160.8657 -5164.7864 -2872.9597 921491.4634 -5164.7864 -2872.9597
ENERGY: 132 21696.5183 20951.9797 5753.4447 189.2233 -334841.7368 21081.3851 0.0000 0.0000 42732.1267 -222437.0590 155.4477 -265169.1857 -222222.8146 155.4477 -4015.6410 -2856.5554 921491.4634 -4015.6410 -2856.5554
ENERGY: 133 21569.7010 21939.4305 5759.4053 191.1377 -334187.7138 21049.8505 0.0000 0.0000 41346.5716 -222331.6172 150.4075 -263678.1888 -222209.0242 150.4075 -2436.6192 -2806.2333 921491.4634 -2436.6192 -2806.2333
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ENERGY: 135 18735.1492 22221.9401 5757.7067 193.2251 -332860.3440 20999.0422 0.0000 0.0000 42497.1277 -222456.1530 154.5929 -264953.2807 -222204.4870 154.5929 191.9084 -2745.1432 921491.4634 191.9084 -2745.1432
ENERGY: 136 18381.4539 21453.0792 5750.0867 193.4037 -332655.7488 21006.3294 0.0000 0.0000 43348.3541 -222523.0418 157.6894 -265871.3958 -222211.0693 157.6894 198.1850 -2776.3543 921491.4634 198.1850 -2776.3543
ENERGY: 137 19975.5715 20347.8314 5740.3098 193.2572 -332832.5918 21040.1066 0.0000 0.0000 43092.4469 -222443.0683 156.7585 -265535.5152 -222209.8937 156.7585 -927.2503 -2841.0685 921491.4634 -927.2503 -2841.0685
ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9639 -222340.8739 155.6399 -265125.8378 -222213.1815 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
ENERGY: 139 22116.0296 18330.1125 5724.2506 192.4679 -333575.3362 21115.6332 0.0000 0.0000 43705.6789 -222391.1635 158.9892 -266096.8424 -222217.3488 158.9892 -4443.4108 -3015.1528 921491.4634 -4443.4108 -3015.1528
TIMING: 140 CPU: 67.3579, 0.472404/step Wall: 67.3579, 0.472404/step, 0.0472404 hours remaining, 3222.039062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 140 20992.5977 17997.1577 5722.1741 192.2140 -333726.9442 21127.4061 0.0000 0.0000 45144.2513 -222551.1433 164.2224 -267695.3946 -222224.0361 164.2224 -5617.7627 -3080.3638 921491.4634 -5617.7627 -3080.3638
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ENERGY: 146 17494.3905 19517.0963 5773.0763 195.1974 -330883.4472 20850.7304 0.0000 0.0000 44468.0626 -222584.8936 161.7626 -267052.9562 -222180.0852 161.7626 380.5832 -2698.3695 921491.4634 380.5832 -2698.3695
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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 -334899.3756 20845.5771 0.0000 0.0000 44606.5898 -222515.5246 162.2665 -267122.1144 -222153.2668 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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ENERGY: 158 21695.0846 19425.3239 5743.5667 171.3409 -332829.8100 20761.5805 0.0000 0.0000 42713.6820 -222319.2315 155.3806 -265032.9135 -222157.3220 155.3806 -715.5935 -2586.7969 921491.4634 -715.5935 -2586.7969
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TIMING: 160 CPU: 76.7968, 0.471942/step Wall: 76.7968, 0.471942/step, 0.0445723 hours remaining, 3222.226562 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 160 21093.2843 18859.3045 5717.0749 174.4916 -333735.9155 20833.5471 0.0000 0.0000 44515.8597 -222542.3533 161.9365 -267058.2130 -222175.6786 161.9365 -3202.8706 -2752.7604 921491.4634 -3202.8706 -2752.7604
ENERGY: 161 21561.6002 18685.5959 5704.9782 178.2042 -333710.7597 20865.7132 0.0000 0.0000 44220.7114 -222493.9567 160.8628 -266714.6680 -222160.9738 160.8628 -4385.1102 -2823.4851 921491.4634 -4385.1102 -2823.4851
ENERGY: 162 22512.8125 18508.1492 5697.2826 183.0024 -333202.6496 20887.8856 0.0000 0.0000 43070.6067 -222342.9105 156.6790 -265413.5172 -222161.4907 156.6790 -5004.1554 -2859.8871 921491.4634 -5004.1554 -2859.8871
ENERGY: 163 21937.9852 18346.8656 5696.1509 188.4544 -332368.8224 20884.6196 0.0000 0.0000 43005.6962 -222309.0505 156.4429 -265314.7467 -222160.7801 156.4429 -4776.8220 -2868.7270 921491.4634 -4776.8220 -2868.7270
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ENERGY: 168 21619.4181 19999.6889 5775.3367 206.4584 -333382.4926 20963.4338 0.0000 0.0000 42492.3351 -222325.8216 154.5754 -264818.1567 -222149.7707 154.5754 -1735.9904 -2933.5976 921491.4634 -1735.9904 -2933.5976
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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: 170 20485.0014 21574.3800 5797.0542 201.1981 -335480.2502 21017.8094 0.0000 0.0000 43834.2689 -222570.5382 159.4570 -266404.8071 -222135.2420 159.4570 -2696.1967 -3030.4960 921491.4634 -2696.1967 -3030.4960
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ENERGY: 176 19195.1038 18891.7630 5743.5896 160.0071 -332124.2129 20943.2095 0.0000 0.0000 44722.5122 -222468.0277 162.6882 -267190.5399 -222127.3369 162.6882 -2658.3221 -2727.5044 921491.4634 -2658.3221 -2727.5044
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ENERGY: 178 21917.7900 18733.9559 5737.6245 154.5770 -332975.2976 21015.2132 0.0000 0.0000 43101.1546 -222314.9824 156.7902 -265416.1369 -222126.1321 156.7902 -2936.2256 -2665.7683 921491.4634 -2936.2256 -2665.7683
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TIMING: 180 CPU: 86.2269, 0.471506/step Wall: 86.2269, 0.471506/step, 0.0419116 hours remaining, 3222.226562 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: 184 18376.8755 19424.9915 5710.5469 174.1844 -332181.9078 21042.4479 0.0000 0.0000 44880.5528 -222572.3089 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 19234.9570 5686.4352 181.9571 -332240.0935 21043.7459 0.0000 0.0000 44391.5887 -222435.3690 161.4844 -266826.9577 -222129.2886 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1125 21076.9264 0.0000 0.0000 42449.0056 -222222.0799 154.4178 -264671.0856 -222130.9078 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
ENERGY: 188 22101.1830 19886.6773 5676.0120 186.3502 -334382.7611 21093.9044 0.0000 0.0000 43113.1615 -222325.4726 156.8338 -265438.6342 -222135.3908 156.8338 -4316.2655 -2887.0591 921491.4634 -4316.2655 -2887.0591
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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: 196 19755.8661 19594.9320 5717.4229 183.5644 -332319.6950 21082.8579 0.0000 0.0000 43603.6155 -222381.4362 158.6180 -265985.0517 -222096.3127 158.6180 -1480.5939 -2574.8092 921491.4634 -1480.5939 -2574.8092
ENERGY: 197 21700.3670 19122.7580 5714.1451 184.7200 -332668.2731 21129.4588 0.0000 0.0000 42574.3654 -222242.4587 154.8738 -264816.8242 -222086.7180 154.8738 -3040.7437 -2596.5494 921491.4634 -3040.7437 -2596.5494
ENERGY: 198 21224.0061 18800.3006 5711.3574 186.3640 -333385.4998 21161.1534 0.0000 0.0000 43911.2863 -222391.0321 159.7372 -266302.3184 -222090.4392 159.7372 -4381.6809 -2646.7679 921491.4634 -4381.6809 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.894
LDB: Largest compute 200 load 0.423791 is 1.2% of average load 36.662248
LDB: Average compute 0.051356 is 0.1% of average load 36.662248
LDB: TIME 101.896 LOAD: AVG 36.6622 MAX 37.7463 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.63 MB
LDB: TIME 101.898 LOAD: AVG 36.6622 MAX 37.643 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.63 MB
LDB: ============== END OF LOAD BALANCING =============== 101.9
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.903
Info: Initial time: 4 CPUs 0.471989 s/step 5.46284 days/ns 3223.29 MB memory
TIMING: 200 CPU: 95.6617, 0.471742/step Wall: 95.6617, 0.471742/step, 0.0393118 hours remaining, 3223.285156 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6837 18595.6349 5711.8747 190.0258 -334670.2812 21209.9248 0.0000 0.0000 45319.1601 -222569.9772 164.8586 -267889.1373 -222114.5245 164.8586 -5241.8526 -2703.6812 921491.4634 -5241.8526 -2703.6812
ENERGY: 201 23380.1030 18674.3333 5716.2802 191.4189 -334751.7132 21239.1341 0.0000 0.0000 43222.4695 -222327.9743 157.2315 -265550.4438 -222100.1079 157.2315 -4546.2005 -2661.1900 921491.4634 -4546.2005 -2661.1900
ENERGY: 202 23622.8116 18850.8449 5722.5980 192.1474 -334305.3007 21243.2752 0.0000 0.0000 42432.5587 -222241.0648 154.3580 -264673.6235 -222096.8291 154.3580 -3005.0518 -2588.0013 921491.4634 -3005.0518 -2588.0013
ENERGY: 203 20743.8945 19130.0389 5729.2400 192.0764 -333501.9373 21215.8254 0.0000 0.0000 44059.6986 -222431.1635 160.2771 -266490.8621 -222093.6428 160.2771 -1046.8257 -2512.4434 921491.4634 -1046.8257 -2512.4434
ENERGY: 204 17862.6124 19486.9555 5734.1463 191.2124 -332722.2195 21188.8403 0.0000 0.0000 45629.4719 -222628.9807 165.9875 -268258.4526 -222116.6999 165.9875 452.9935 -2462.2927 921491.4634 452.9935 -2462.2927
ENERGY: 205 18189.0790 19868.9413 5735.7153 189.6741 -332398.2547 21197.9186 0.0000 0.0000 44690.7149 -222526.2114 162.5725 -267216.9263 -222099.8057 162.5725 731.8538 -2447.6351 921491.4634 731.8538 -2447.6351
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ENERGY: 207 21693.8032 20338.2890 5726.5434 185.3060 -333603.9788 21289.9002 0.0000 0.0000 42143.6913 -222226.4456 153.3072 -264370.1369 -222103.0929 153.3072 -1896.3476 -2585.9681 921491.4634 -1896.3476 -2585.9681
ENERGY: 208 20293.2703 20371.8903 5718.1572 182.8654 -334789.2379 21322.2411 0.0000 0.0000 44428.6269 -222472.1866 161.6191 -266900.8136 -222122.6315 161.6191 -3669.0642 -2719.7951 921491.4634 -3669.0642 -2719.7951
ENERGY: 209 19428.8171 20325.0058 5710.3389 180.5135 -335910.2415 21349.5045 0.0000 0.0000 46273.6801 -222642.3816 168.3309 -268916.0616 -222106.7901 168.3309 -5197.7274 -2836.6305 921491.4634 -5197.7274 -2836.6305
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1735 20194.2569 5705.3139 178.4614 -336615.7770 21385.1097 0.0000 0.0000 45251.4335 -222516.0282 164.6123 -267767.4617 -222108.2017 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1928 19985.8632 5704.9373 176.9105 -336667.8929 21415.1478 0.0000 0.0000 43031.7285 -222254.1129 156.5376 -265285.8414 -222106.8542 156.5376 -5900.2977 -2885.1010 921491.4634 -5900.2977 -2885.1010
ENERGY: 212 23739.2709 19730.8222 5710.0295 176.0352 -336013.6227 21412.5984 0.0000 0.0000 42995.1638 -222249.7026 156.4046 -265244.8664 -222104.2318 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2160 19524.5249 5720.1722 175.9508 -334874.6444 21380.5553 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2253 -222097.3835 165.2210 -2174.3116 -2725.0840 921491.4634 -2174.3116 -2725.0840
ENERGY: 214 17315.5528 19421.7448 5733.3059 176.6827 -333645.3937 21358.4487 0.0000 0.0000 46958.4703 -222681.1885 170.8220 -269639.6587 -222093.7407 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5054 19441.9744 5746.5772 178.1492 -332787.3323 21379.5597 0.0000 0.0000 45302.6746 -222527.8917 164.7987 -267830.5663 -222091.0447 164.7987 784.0016 -2554.0367 921491.4634 784.0016 -2554.0367
ENERGY: 216 20973.4716 19522.5062 5756.9571 180.1770 -332560.1061 21436.4837 0.0000 0.0000 42442.1788 -222248.3317 154.3930 -264690.5105 -222073.6155 154.3930 420.9903 -2541.5428 921491.4634 420.9903 -2541.5428
ENERGY: 217 21778.3867 19581.4821 5762.2416 182.5517 -333010.6758 21497.2707 0.0000 0.0000 41983.6750 -222225.0681 152.7251 -264208.7431 -222064.4463 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9158 19540.0891 5761.2415 184.9927 -333856.1147 21546.6562 0.0000 0.0000 44178.6835 -222478.5359 160.7099 -266657.2194 -222068.8153 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
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TIMING: 220 CPU: 105.113, 0.472548/step Wall: 105.113, 0.472548/step, 0.0367538 hours remaining, 3223.285156 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 240 CPU: 114.556, 0.472164/step Wall: 114.556, 0.472164/step, 0.0341007 hours remaining, 3223.285156 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 242 22110.7716 20111.8208 5758.5348 169.0441 -335904.8198 21831.0568 0.0000 0.0000 43526.8720 -222396.7197 158.3388 -265923.5917 -222063.5738 158.3388 -4623.1690 -2633.0914 921491.4634 -4623.1690 -2633.0914
ENERGY: 243 19462.3620 19969.6445 5749.3614 168.8705 -335233.7069 21770.4749 0.0000 0.0000 45537.0690 -222575.9247 165.6513 -268112.9937 -222061.6676 165.6513 -3760.4505 -2614.6993 921491.4634 -3760.4505 -2614.6993
ENERGY: 244 18822.2463 19849.3933 5737.4544 169.6534 -334482.6008 21720.5677 0.0000 0.0000 45629.1663 -222554.1194 165.9864 -268183.2857 -222078.7770 165.9864 -2667.7297 -2573.2149 921491.4634 -2667.7297 -2573.2149
ENERGY: 245 20148.2367 19811.7598 5725.7784 171.4559 -334087.5945 21701.2471 0.0000 0.0000 44168.5249 -222360.5917 160.6730 -266529.1165 -222068.6365 160.6730 -1771.6900 -2533.5454 921491.4634 -1771.6900 -2533.5454
ENERGY: 246 20878.5481 19853.7023 5716.8932 174.1558 -334213.1204 21705.0851 0.0000 0.0000 43600.4182 -222284.3177 158.6063 -265884.7360 -222067.4295 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5287 19979.6439 5712.7400 177.5412 -334802.1841 21719.8455 0.0000 0.0000 44912.1912 -222431.6936 163.3782 -267343.8848 -222068.1393 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4925 20164.4295 5713.8450 181.3144 -335623.1352 21746.4311 0.0000 0.0000 46185.9362 -222595.6865 168.0117 -268781.6227 -222090.3127 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9042 20013.1599 5733.2541 193.8023 -336093.2678 21826.9296 0.0000 0.0000 43905.3720 -222425.8457 159.7157 -266331.2177 -222091.3306 159.7157 -3843.4682 -2758.0338 921491.4634 -3843.4682 -2758.0338
ENERGY: 253 19499.8637 19667.1122 5729.5496 195.2411 -334977.1808 21784.0537 0.0000 0.0000 45520.0192 -222581.3412 165.5893 -268101.3605 -222082.7206 165.5893 -3300.1273 -2735.8132 921491.4634 -3300.1273 -2735.8132
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ENERGY: 255 20324.2311 19109.4103 5707.6062 196.0620 -333099.9235 21746.1516 0.0000 0.0000 43667.4212 -222349.0411 158.8501 -266016.4623 -222078.3976 158.8501 -2282.5424 -2662.7814 921491.4634 -2282.5424 -2662.7814
ENERGY: 256 20899.4409 18950.9579 5693.4518 195.6570 -332975.5974 21757.6848 0.0000 0.0000 43181.1612 -222297.2437 157.0812 -265478.4050 -222071.2739 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
ENERGY: 257 20029.5653 18878.1874 5681.1759 194.7976 -333481.0040 21780.2420 0.0000 0.0000 44488.5469 -222428.4890 161.8371 -266917.0358 -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 21817.5078 0.0000 0.0000 45796.2578 -222556.7761 166.5942 -268353.0339 -222062.0607 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 123.99, 0.471678/step Wall: 123.99, 0.471678/step, 0.0314452 hours remaining, 3223.636719 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 22744.9542 19188.2462 5675.1875 191.0393 -336169.7730 21924.7894 0.0000 0.0000 44083.4306 -222362.1258 160.3634 -266445.5563 -222069.6814 160.3634 -3407.4793 -2810.9878 921491.4634 -3407.4793 -2810.9878
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ENERGY: 262 21606.2724 19814.6777 5694.0656 188.7122 -336291.7860 21947.6074 0.0000 0.0000 44601.6346 -222438.8162 162.2485 -267040.4507 -222052.4324 162.2485 -3214.7561 -2810.4637 921491.4634 -3214.7561 -2810.4637
ENERGY: 263 19781.1228 20140.5621 5703.8103 187.9445 -335614.9714 21924.4741 0.0000 0.0000 45349.7770 -222527.2805 164.9700 -267877.0576 -222051.1549 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2259 20436.4304 5710.6950 187.5052 -334855.9509 21907.7773 0.0000 0.0000 44751.4784 -222476.8387 162.7936 -267228.3170 -222069.1981 162.7936 -2191.1926 -2723.5293 921491.4634 -2191.1926 -2723.5293
ENERGY: 265 19946.8414 20681.9924 5713.6241 187.4392 -334395.6629 21906.0164 0.0000 0.0000 43607.6374 -222352.1118 158.6326 -265959.7493 -222054.3369 158.6326 -2038.0572 -2683.6034 921491.4634 -2038.0572 -2683.6034
ENERGY: 266 20048.7898 20788.8699 5712.1327 187.6137 -334399.4573 21914.4805 0.0000 0.0000 43399.3797 -222348.1910 157.8750 -265747.5706 -222054.3632 157.8750 -2130.7239 -2664.5955 921491.4634 -2130.7239 -2664.5955
ENERGY: 267 19648.0904 20691.2677 5707.0583 187.8501 -334831.4851 21930.8375 0.0000 0.0000 44220.2168 -222446.1644 160.8610 -266666.3812 -222055.6582 160.8610 -2435.4233 -2662.6782 921491.4634 -2435.4233 -2662.6782
ENERGY: 268 19962.9159 20375.7515 5700.1930 187.9286 -335513.7446 21959.1258 0.0000 0.0000 44823.5377 -222504.2922 163.0557 -267327.8299 -222075.9873 163.0557 -2903.2124 -2658.6181 921491.4634 -2903.2124 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1933 19450.9167 5690.3173 187.1618 -336650.6774 22028.8071 0.0000 0.0000 44308.0076 -222365.2736 161.1804 -266673.2811 -222067.0432 161.1804 -3583.3635 -2617.7583 921491.4634 -3583.3635 -2617.7583
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ENERGY: 272 21021.5586 18896.0662 5692.8269 184.9335 -335921.4615 22015.0580 0.0000 0.0000 45607.7077 -222503.3107 165.9083 -268111.0184 -222081.1569 165.9083 -2551.9685 -2501.8804 921491.4634 -2551.9685 -2501.8804
ENERGY: 273 20123.2137 18932.9082 5697.5118 183.8526 -334925.7013 21985.5296 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
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ENERGY: 276 19401.8501 19594.7509 5701.2547 182.4904 -333292.1280 21971.0410 0.0000 0.0000 44028.5271 -222412.2138 160.1637 -266440.7410 -222072.9393 160.1637 -1580.1298 -2417.6040 921491.4634 -1580.1298 -2417.6040
ENERGY: 277 19149.2971 19724.7161 5695.5210 182.9396 -333864.3452 21997.2387 0.0000 0.0000 44632.8112 -222481.8216 162.3619 -267114.6328 -222061.0986 162.3619 -2311.7543 -2498.0544 921491.4634 -2311.7543 -2498.0544
ENERGY: 278 20199.4576 19713.7760 5686.9122 183.6585 -334821.1002 22041.3359 0.0000 0.0000 44532.2541 -222463.7060 161.9961 -266995.9601 -222063.4129 161.9961 -3254.8155 -2593.7696 921491.4634 -3254.8155 -2593.7696
ENERGY: 279 21984.3649 19593.9430 5677.5176 184.5187 -335888.5800 22096.4200 0.0000 0.0000 43975.0881 -222376.7277 159.9693 -266351.8159 -222065.2022 159.9693 -4044.3213 -2682.8389 921491.4634 -4044.3213 -2682.8389
TIMING: 280 CPU: 133.409, 0.470982/step Wall: 133.409, 0.470982/step, 0.0287823 hours remaining, 3223.636719 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 282 20943.7900 19615.5377 5669.9796 186.8360 -336942.5034 22176.7655 0.0000 0.0000 45823.3371 -222526.2576 166.6927 -268349.5947 -222063.3314 166.6927 -2992.3273 -2779.3668 921491.4634 -2992.3273 -2779.3668
ENERGY: 283 20432.1061 19966.6612 5678.8137 187.1634 -336251.9200 22171.0649 0.0000 0.0000 45328.8522 -222487.2585 164.8939 -267816.1107 -222060.8458 164.8939 -2008.7737 -2748.2306 921491.4634 -2008.7737 -2748.2306
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ENERGY: 285 20203.3287 20789.9628 5707.3564 186.7145 -334827.1965 22167.0166 0.0000 0.0000 43418.2632 -222354.5544 157.9437 -265772.8175 -222053.5965 157.9437 -1010.8437 -2700.0820 921491.4634 -1010.8437 -2700.0820
ENERGY: 286 19396.6309 20966.5621 5721.5031 185.8229 -334658.1148 22176.6864 0.0000 0.0000 43785.6883 -222425.2211 159.2803 -266210.9093 -222054.0581 159.2803 -1306.7501 -2717.2847 921491.4634 -1306.7501 -2717.2847
ENERGY: 287 19176.1190 20856.7822 5731.9346 184.4714 -334918.1480 22200.2911 0.0000 0.0000 44282.9439 -222485.6058 161.0892 -266768.5497 -222055.7252 161.0892 -2148.9611 -2753.3344 921491.4634 -2148.9611 -2753.3344
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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 ============== 149.086
LDB: Largest compute 200 load 0.521719 is 1.1% of average load 45.792535
LDB: Average compute 0.064129 is 0.1% of average load 45.792535
LDB: TIME 149.088 LOAD: AVG 45.7925 MAX 47.1796 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.03 MB
LDB: TIME 149.089 LOAD: AVG 45.7925 MAX 47.1796 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.03 MB
LDB: TIME 149.105 LOAD: AVG 45.7925 MAX 46.3163 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.03 MB
LDB: ============== END OF LOAD BALANCING =============== 149.106
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 149.108
Info: Initial time: 4 CPUs 0.471537 s/step 5.45761 days/ns 3224.03 MB memory
TIMING: 300 CPU: 142.837, 0.471401/step Wall: 142.837, 0.471401/step, 0.0261889 hours remaining, 3224.027344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 320 CPU: 152.066, 0.461417/step Wall: 152.066, 0.461417/step, 0.0230709 hours remaining, 3224.027344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 340 CPU: 161.292, 0.461307/step Wall: 161.292, 0.461307/step, 0.0205025 hours remaining, 3224.027344 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: 170.51, 0.460929/step Wall: 170.51, 0.460929/step, 0.017925 hours remaining, 3224.027344 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: 362 22808.6003 20031.2789 5688.3203 181.6678 -338079.7613 22835.7525 0.0000 0.0000 44200.9554 -222333.1859 160.7909 -266534.1414 -222051.2755 160.7909 -3087.0697 -2583.1905 921491.4634 -3087.0697 -2583.1905
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ENERGY: 364 19323.8976 19612.6014 5699.8913 181.0103 -336175.2001 22790.5193 0.0000 0.0000 46034.3491 -222532.9312 167.4603 -268567.2803 -222068.5917 167.4603 -1420.0425 -2476.3757 921491.4634 -1420.0425 -2476.3757
ENERGY: 365 18830.5839 19548.3420 5710.7558 180.6856 -335316.0971 22775.7830 0.0000 0.0000 45760.0891 -222509.8576 166.4626 -268269.9467 -222057.4401 166.4626 -1100.2606 -2433.4823 921491.4634 -1100.2606 -2433.4823
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ENERGY: 368 20561.5937 19748.2121 5739.6691 179.8275 -335728.0875 22808.6653 0.0000 0.0000 44272.8407 -222417.2792 161.0524 -266690.1198 -222068.2911 161.0524 -2928.4886 -2487.3070 921491.4634 -2928.4886 -2487.3070
ENERGY: 369 20346.9678 19812.6207 5741.6369 179.5048 -336580.3309 22825.3359 0.0000 0.0000 45155.6308 -222518.6339 164.2638 -267674.2647 -222061.1000 164.2638 -3666.9891 -2542.4574 921491.4634 -3666.9891 -2542.4574
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 370 21302.3706 19815.7284 5738.6027 179.1429 -337296.0555 22846.3050 0.0000 0.0000 44920.4943 -222493.4115 163.4084 -267413.9058 -222062.2624 163.4084 -4081.4436 -2576.8189 921491.4634 -4081.4436 -2576.8189
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ENERGY: 374 19285.9365 19613.0719 5706.5680 179.1985 -336019.1231 22785.5049 0.0000 0.0000 45912.3278 -222536.5155 167.0164 -268448.8433 -222048.2690 167.0164 -983.4305 -2469.0310 921491.4634 -983.4305 -2469.0310
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ENERGY: 376 19884.0272 19962.1762 5703.2010 181.1433 -335321.8625 22772.8702 0.0000 0.0000 44434.3272 -222384.1174 161.6399 -266818.4447 -222050.5528 161.6399 -874.6219 -2439.6901 921491.4634 -874.6219 -2439.6901
ENERGY: 377 20646.4608 20251.1591 5706.5521 182.3248 -335763.5795 22794.3774 0.0000 0.0000 43848.2750 -222334.4302 159.5080 -266182.7052 -222041.4012 159.5080 -1819.5855 -2472.4984 921491.4634 -1819.5855 -2472.4984
ENERGY: 378 20473.8099 20495.6593 5711.4639 183.2952 -336584.2273 22821.5837 0.0000 0.0000 44474.7533 -222423.6620 161.7869 -266898.4153 -222044.3966 161.7869 -2972.9871 -2523.3497 921491.4634 -2972.9871 -2523.3497
ENERGY: 379 20419.4576 20623.8790 5716.2160 183.8420 -337495.6092 22854.5153 0.0000 0.0000 45185.6411 -222512.0581 164.3729 -267697.6993 -222047.0128 164.3729 -3997.4170 -2563.3071 921491.4634 -3997.4170 -2563.3071
TIMING: 380 CPU: 179.721, 0.460561/step Wall: 179.721, 0.460561/step, 0.015352 hours remaining, 3224.027344 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: 382 22844.1905 20220.4986 5718.3197 182.2157 -338010.6533 22930.5473 0.0000 0.0000 43766.5297 -222348.3518 159.2106 -266114.8815 -222051.0362 159.2106 -3524.7149 -2418.5488 921491.4634 -3524.7149 -2418.5488
ENERGY: 383 21263.6994 19910.9247 5714.6670 180.7420 -337128.0228 22911.2845 0.0000 0.0000 44707.9443 -222438.7610 162.6352 -267146.7053 -222048.1879 162.6352 -2023.0803 -2294.0131 921491.4634 -2023.0803 -2294.0131
ENERGY: 384 19625.4114 19596.0355 5710.5349 179.0647 -336052.0487 22884.2533 0.0000 0.0000 45539.1832 -222517.5657 165.6590 -268056.7489 -222062.0924 165.6590 -569.2379 -2166.9357 921491.4634 -569.2379 -2166.9357
ENERGY: 385 19327.8181 19356.8914 5707.7751 177.4354 -335210.6401 22871.6143 0.0000 0.0000 45299.7170 -222469.3889 164.7879 -267769.1058 -222051.0992 164.7879 215.3515 -2064.3636 921491.4634 215.3515 -2064.3636
ENERGY: 386 19981.2273 19220.9467 5707.6637 175.9385 -334865.1817 22880.7957 0.0000 0.0000 44519.8584 -222378.7515 161.9510 -266898.6099 -222051.0436 161.9510 122.6670 -2011.2428 921491.4634 122.6670 -2011.2428
ENERGY: 387 20367.2860 19202.4847 5710.9354 174.6759 -335109.8725 22905.2743 0.0000 0.0000 44377.1814 -222372.0348 161.4320 -266749.2163 -222053.0049 161.4320 -738.9584 -2019.1689 921491.4634 -738.9584 -2019.1689
ENERGY: 388 20282.3987 19280.0170 5717.2934 173.7038 -335824.1516 22938.2899 0.0000 0.0000 44972.7760 -222459.6728 163.5986 -267432.4488 -222067.4814 163.5986 -2063.8553 -2076.2821 921491.4634 -2063.8553 -2076.2821
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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: 390 21929.5052 19598.7449 5733.9032 172.7580 -337596.2510 23021.3360 0.0000 0.0000 44698.9837 -222441.0199 162.6026 -267140.0036 -222061.4792 162.6026 -4540.4923 -2229.7774 921491.4634 -4540.4923 -2229.7774
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ENERGY: 397 19906.7783 20200.7710 5721.4919 176.2273 -336102.8169 22990.0370 0.0000 0.0000 44712.8675 -222394.6439 162.6531 -267107.5115 -222042.6597 162.6531 -376.0863 -2327.2103 921491.4634 -376.0863 -2327.2103
ENERGY: 398 19692.8115 20133.3591 5716.9813 176.0456 -336812.3373 23014.0580 0.0000 0.0000 45592.7324 -222486.3494 165.8538 -268079.0818 -222045.7220 165.8538 -1710.2237 -2443.6966 921491.4634 -1710.2237 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 195.211
LDB: Largest compute 230 load 0.522027 is 1.1% of average load 45.668610
LDB: Average compute 0.063960 is 0.1% of average load 45.668610
LDB: TIME 195.213 LOAD: AVG 45.6686 MAX 46.1035 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.03 MB
LDB: TIME 195.214 LOAD: AVG 45.6686 MAX 46.1035 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.03 MB
LDB: TIME 195.214 LOAD: AVG 45.6686 MAX 46.1035 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.03 MB
LDB: ============== END OF LOAD BALANCING =============== 195.214
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.215
Info: Benchmark time: 4 CPUs 0.460986 s/step 5.33549 days/ns 3224.03 MB memory
TIMING: 400 CPU: 188.94, 0.460914/step Wall: 188.94, 0.460914/step, 0.0128032 hours remaining, 3224.027344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 402 22444.0481 19835.9108 5715.8942 173.8391 -338107.6284 23109.6373 0.0000 0.0000 44436.8101 -222391.4888 161.6489 -266828.2989 -222049.2224 161.6489 -4939.3797 -2681.7026 921491.4634 -4939.3797 -2681.7026
ENERGY: 403 20784.9696 19778.4828 5715.7218 174.2695 -337239.9781 23077.8397 0.0000 0.0000 45225.5966 -222483.0982 164.5183 -267708.6948 -222046.6852 164.5183 -3613.5980 -2605.7429 921491.4634 -3613.5980 -2605.7429
ENERGY: 404 19687.5954 19735.4029 5713.8114 175.5084 -336169.1137 23038.2894 0.0000 0.0000 45313.8396 -222504.6667 164.8393 -267818.5062 -222060.2368 164.8393 -1967.0749 -2494.0440 921491.4634 -1967.0749 -2494.0440
ENERGY: 405 19798.8801 19696.7726 5710.0280 177.6161 -335317.9343 23008.3942 0.0000 0.0000 44511.4437 -222414.7995 161.9204 -266926.2432 -222047.5587 161.9204 -627.4750 -2380.7864 921491.4634 -627.4750 -2380.7864
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ENERGY: 408 19735.8468 19387.6645 5692.2151 187.5226 -335902.8214 23017.8168 0.0000 0.0000 45394.4121 -222487.3434 165.1324 -267881.7555 -222063.5313 165.1324 -920.8282 -2294.1558 921491.4634 -920.8282 -2294.1558
ENERGY: 409 20350.1186 19376.4608 5688.4775 191.1593 -336896.6842 23057.9917 0.0000 0.0000 45733.6057 -222498.8706 166.3663 -268232.4763 -222051.6707 166.3663 -2367.4921 -2346.9327 921491.4634 -2367.4921 -2346.9327
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5210 19470.1803 5687.6649 194.4179 -337813.1841 23106.2024 0.0000 0.0000 45077.0713 -222427.1262 163.9780 -267504.1976 -222054.6429 163.9780 -3838.6213 -2402.0242 921491.4634 -3838.6213 -2402.0242
ENERGY: 411 22931.8002 19651.0976 5689.8740 197.0388 -338354.2241 23140.9041 0.0000 0.0000 44380.5346 -222362.9748 161.4442 -266743.5094 -222056.2117 161.4442 -4745.1593 -2436.8803 921491.4634 -4745.1593 -2436.8803
ENERGY: 412 22535.8952 19878.8220 5694.3233 198.8205 -338356.4968 23146.2932 0.0000 0.0000 44499.5084 -222402.8342 161.8770 -266902.3426 -222068.4598 161.8770 -4717.2140 -2436.3028 921491.4634 -4717.2140 -2436.3028
ENERGY: 413 21130.1418 20138.5248 5699.9334 199.7191 -337872.5313 23125.1112 0.0000 0.0000 45113.2142 -222465.8869 164.1095 -267579.1010 -222055.3453 164.1095 -3850.6271 -2398.9550 921491.4634 -3850.6271 -2398.9550
ENERGY: 414 19987.3857 20381.5506 5705.1135 199.5118 -337122.7793 23094.4554 0.0000 0.0000 45271.6526 -222483.1097 164.6858 -267754.7623 -222052.1623 164.6858 -2501.3243 -2333.9465 921491.4634 -2501.3243 -2333.9465
ENERGY: 415 19745.2667 20572.1259 5708.7452 198.1487 -336456.1968 23071.1988 0.0000 0.0000 44733.2272 -222427.4844 162.7272 -267160.7116 -222049.0346 162.7272 -1174.6453 -2266.5616 921491.4634 -1174.6453 -2266.5616
ENERGY: 416 19942.3169 20661.9897 5710.0857 195.6953 -336157.5856 23063.1712 0.0000 0.0000 44200.2848 -222384.0420 160.7885 -266584.3267 -222052.9643 160.7885 -282.7614 -2224.6897 921491.4634 -282.7614 -2224.6897
ENERGY: 417 20031.3748 20631.3210 5709.0493 192.4696 -336373.1070 23072.1096 0.0000 0.0000 44338.4617 -222398.3208 161.2911 -266736.7825 -222044.6992 161.2911 -112.4553 -2227.1699 921491.4634 -112.4553 -2227.1699
ENERGY: 418 20154.6646 20457.0911 5705.5847 188.6536 -336970.7863 23098.6725 0.0000 0.0000 44915.1421 -222450.9777 163.3889 -267366.1199 -222046.7092 163.3889 -671.8545 -2269.9921 921491.4634 -671.8545 -2269.9921
ENERGY: 419 20790.7629 20185.5526 5700.4810 184.6054 -337717.8754 23139.8022 0.0000 0.0000 45250.3100 -222466.3612 164.6082 -267716.6712 -222049.5949 164.6082 -1783.9420 -2336.6464 921491.4634 -1783.9420 -2336.6464
TIMING: 420 CPU: 198.126, 0.459336/step Wall: 198.126, 0.459336/step, 0.0102075 hours remaining, 3224.027344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 423 21418.8987 19324.4276 5689.6736 172.2145 -337416.8961 23180.6040 0.0000 0.0000 45183.9712 -222447.1064 164.3669 -267631.0776 -222051.5233 164.3669 -3955.8307 -2434.9305 921491.4634 -3955.8307 -2434.9305
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ENERGY: 427 19598.5315 19595.2901 5707.1504 168.7509 -335498.4319 23074.5007 0.0000 0.0000 44915.2774 -222438.9308 163.3894 -267354.2082 -222048.7336 163.3894 -741.9007 -2207.6353 921491.4634 -741.9007 -2207.6353
ENERGY: 428 20140.4226 19760.4173 5710.4628 168.5259 -336199.9855 23087.7678 0.0000 0.0000 44884.2595 -222448.1297 163.2766 -267332.3891 -222058.0549 163.2766 -935.5730 -2206.9583 921491.4634 -935.5730 -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 22013.9873 20024.3738 5712.1699 168.1897 -338096.9208 23149.4494 0.0000 0.0000 44626.3100 -222402.4406 162.3383 -267028.7506 -222047.3915 162.3383 -2472.2455 -2268.0464 921491.4634 -2472.2455 -2268.0464
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ENERGY: 432 21768.3706 20188.6724 5710.3546 168.1086 -338651.2105 23176.0847 0.0000 0.0000 45177.9911 -222461.6284 164.3451 -267639.6195 -222065.9057 164.3451 -3350.2741 -2296.1496 921491.4634 -3350.2741 -2296.1496
ENERGY: 433 21200.9074 20275.9663 5710.3763 168.4633 -338164.0641 23162.2912 0.0000 0.0000 45192.9287 -222453.1310 164.3995 -267646.0597 -222052.5981 164.3995 -3187.3732 -2272.1275 921491.4634 -3187.3732 -2272.1275
ENERGY: 434 20730.3413 20338.1498 5711.6061 169.3247 -337394.2707 23140.7736 0.0000 0.0000 44883.1001 -222420.9751 163.2724 -267304.0752 -222051.1462 163.2724 -2694.3107 -2227.7884 921491.4634 -2694.3107 -2227.7884
ENERGY: 435 20235.2201 20362.4014 5714.0003 170.8455 -336680.6558 23123.4098 0.0000 0.0000 44675.9843 -222398.7943 162.5190 -267074.7787 -222049.5888 162.5190 -2061.3581 -2179.8950 921491.4634 -2061.3581 -2179.8950
ENERGY: 436 19670.9243 20349.9981 5717.2345 173.0864 -336303.8815 23119.9079 0.0000 0.0000 44847.0988 -222425.6316 163.1414 -267272.7304 -222059.6958 163.1414 -1520.6598 -2145.1617 921491.4634 -1520.6598 -2145.1617
ENERGY: 437 19434.5516 20329.5092 5720.9893 175.9827 -336411.9789 23136.3869 0.0000 0.0000 45159.2693 -222455.2899 164.2770 -267614.5593 -222050.7501 164.2770 -1319.1168 -2134.4848 921491.4634 -1319.1168 -2134.4848
ENERGY: 438 19935.1532 20278.6096 5724.6883 179.3848 -336899.4583 23173.5520 0.0000 0.0000 45148.1331 -222459.9372 164.2365 -267608.0703 -222051.5667 164.2365 -1493.0941 -2145.0881 921491.4634 -1493.0941 -2145.0881
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TIMING: 440 CPU: 207.305, 0.458917/step Wall: 207.305, 0.458917/step, 0.00764861 hours remaining, 3224.027344 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 20036.2374 5729.7526 186.7201 -338123.1820 23276.2487 0.0000 0.0000 44417.5466 -222405.1079 161.5788 -266822.6545 -222059.4773 161.5788 -2408.4614 -2197.9672 921491.4634 -2408.4614 -2197.9672
ENERGY: 441 22355.5488 19860.0413 5730.3487 190.1145 -338361.1729 23313.2047 0.0000 0.0000 44502.6971 -222409.2178 161.8886 -266911.9149 -222050.0859 161.8886 -2716.1029 -2221.5314 921491.4634 -2716.1029 -2221.5314
ENERGY: 442 21853.6120 19664.5354 5729.4854 192.9411 -338090.1547 23327.1570 0.0000 0.0000 44880.6326 -222441.7913 163.2634 -267322.4239 -222049.7755 163.2634 -2710.5578 -2229.0697 921491.4634 -2710.5578 -2229.0697
ENERGY: 443 21064.3316 19487.0727 5727.6164 194.9329 -337369.3163 23320.0160 0.0000 0.0000 45118.1112 -222457.2354 164.1273 -267575.3466 -222048.5995 164.1273 -2448.1650 -2220.3532 921491.4634 -2448.1650 -2220.3532
ENERGY: 444 20449.3364 19357.2694 5725.4095 195.8735 -336464.1933 23301.5278 0.0000 0.0000 44987.7180 -222447.0587 163.6530 -267434.7768 -222057.9797 163.6530 -2090.2101 -2206.4400 921491.4634 -2090.2101 -2206.4400
ENERGY: 445 20125.5609 19307.2521 5723.6513 195.6942 -335759.3922 23283.8141 0.0000 0.0000 44708.7156 -222414.7041 162.6380 -267123.4197 -222046.5427 162.6380 -1846.9627 -2201.6926 921491.4634 -1846.9627 -2201.6926
ENERGY: 446 19947.6805 19324.9007 5722.5429 194.3235 -335494.5714 23276.0453 0.0000 0.0000 44620.2945 -222408.7838 162.3164 -267029.0783 -222046.1620 162.3164 -1800.7518 -2216.7294 921491.4634 -1800.7518 -2216.7294
ENERGY: 447 19914.2848 19416.0210 5722.2107 191.8642 -335769.4403 23282.7460 0.0000 0.0000 44816.5087 -222425.8049 163.0301 -267242.3136 -222046.8342 163.0301 -1993.3112 -2253.0603 921491.4634 -1993.3112 -2253.0603
ENERGY: 448 20187.5921 19583.6798 5722.5764 188.5554 -336503.1800 23303.8907 0.0000 0.0000 45065.6673 -222451.2183 163.9365 -267516.8856 -222059.3478 163.9365 -2372.1876 -2303.7897 921491.4634 -2372.1876 -2303.7897
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4854 20108.1296 5724.4776 181.0898 -338419.3246 23364.6246 0.0000 0.0000 44854.3092 -222432.2084 163.1676 -267286.5176 -222048.7858 163.1676 -3116.6755 -2394.3894 921491.4634 -3116.6755 -2394.3894
ENERGY: 451 22355.5903 20357.7251 5724.7144 177.6517 -338952.0905 23381.8011 0.0000 0.0000 44542.6982 -222411.9098 162.0341 -266954.6079 -222048.8243 162.0341 -3074.2531 -2405.7795 921491.4634 -3074.2531 -2405.7795
ENERGY: 452 22246.2015 20536.0131 5723.8953 174.8859 -338927.1535 23378.0948 0.0000 0.0000 44452.9191 -222415.1439 161.7075 -266868.0630 -222059.6370 161.7075 -2659.9605 -2384.7567 921491.4634 -2659.9605 -2384.7567
ENERGY: 453 21399.8725 20641.1308 5722.2878 173.1350 -338392.7932 23354.5911 0.0000 0.0000 44683.7028 -222418.0730 162.5470 -267101.7758 -222043.5371 162.5470 -2048.3338 -2342.4667 921491.4634 -2048.3338 -2342.4667
ENERGY: 454 20248.3380 20654.1372 5720.2217 172.3637 -337567.1413 23320.6906 0.0000 0.0000 45008.1460 -222443.2441 163.7273 -267451.3901 -222041.8391 163.7273 -1453.4578 -2293.1449 921491.4634 -1453.4578 -2293.1449
ENERGY: 455 19486.7906 20584.7120 5718.4844 172.5169 -336790.6452 23290.4027 0.0000 0.0000 45086.5783 -222451.1603 164.0126 -267537.7385 -222040.8570 164.0126 -1151.8823 -2255.8570 921491.4634 -1151.8823 -2255.8570
ENERGY: 456 19493.3720 20440.6801 5717.7556 173.4248 -336350.1072 23274.9635 0.0000 0.0000 44811.4721 -222438.4390 163.0118 -267249.9111 -222055.3481 163.0118 -1305.5000 -2245.5819 921491.4634 -1305.5000 -2245.5819
ENERGY: 457 20047.4927 20251.9437 5718.5580 174.9241 -336395.8162 23277.8279 0.0000 0.0000 44521.8702 -222403.1997 161.9583 -266925.0699 -222049.4128 161.9583 -1906.4161 -2263.5009 921491.4634 -1906.4161 -2263.5009
ENERGY: 458 20585.8433 20019.2726 5720.7061 176.6081 -336835.0959 23294.7177 0.0000 0.0000 44632.7888 -222405.1594 162.3618 -267037.9482 -222051.2817 162.3618 -2684.6983 -2301.0424 921491.4634 -2684.6983 -2301.0424
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TIMING: 460 CPU: 216.484, 0.458967/step Wall: 216.484, 0.458967/step, 0.00509964 hours remaining, 3224.027344 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 19597.9068 5728.0971 179.4910 -338014.3773 23341.8005 0.0000 0.0000 45423.8566 -222480.6114 165.2395 -267904.4679 -222064.6833 165.2395 -3669.8201 -2365.2411 921491.4634 -3669.8201 -2365.2411
ENERGY: 461 21862.8764 19507.1081 5732.5753 180.4333 -338251.6223 23355.3938 0.0000 0.0000 45154.6138 -222458.6217 164.2601 -267613.2355 -222058.0504 164.2601 -3556.1666 -2361.1799 921491.4634 -3556.1666 -2361.1799
ENERGY: 462 22264.2257 19487.8115 5736.4822 180.9531 -337988.7178 23351.1089 0.0000 0.0000 44559.9292 -222408.2072 162.0968 -266968.1364 -222056.7211 162.0968 -2954.8200 -2323.4250 921491.4634 -2954.8200 -2323.4250
ENERGY: 463 21821.1791 19513.9022 5738.9361 181.1160 -337284.1036 23326.9480 0.0000 0.0000 44313.4572 -222388.5650 161.2002 -266702.0222 -222054.6239 161.2002 -2012.4424 -2264.0777 921491.4634 -2012.4424 -2264.0777
ENERGY: 464 20535.2460 19559.9278 5739.2518 181.0096 -336389.3848 23291.1943 0.0000 0.0000 44654.0268 -222428.7284 162.4391 -267082.7552 -222058.5729 162.4391 -1050.9227 -2205.5268 921491.4634 -1050.9227 -2205.5268
ENERGY: 465 19322.7827 19631.8859 5737.2899 180.7155 -335701.1540 23259.7392 0.0000 0.0000 45094.5689 -222474.1719 164.0416 -267568.7408 -222052.9388 164.0416 -512.3346 -2174.4008 921491.4634 -512.3346 -2174.4008
ENERGY: 466 19088.4510 19708.3584 5733.2107 180.2808 -335443.7730 23245.0604 0.0000 0.0000 45020.7910 -222467.6206 163.7733 -267488.4116 -222052.9785 163.7733 -630.3313 -2182.6711 921491.4634 -630.3313 -2182.6711
ENERGY: 467 19841.8069 19783.1743 5727.6704 179.7757 -335721.0954 23249.4530 0.0000 0.0000 44523.6669 -222415.5482 161.9649 -266939.2151 -222054.3494 161.9649 -1393.6029 -2232.5924 921491.4634 -1393.6029 -2232.5924
ENERGY: 468 20761.8481 19845.4942 5721.5090 179.2779 -336451.5669 23265.8125 0.0000 0.0000 44291.6590 -222385.9662 161.1209 -266677.6253 -222056.3590 161.1209 -2508.6714 -2314.1341 921491.4634 -2508.6714 -2314.1341
ENERGY: 469 21236.3016 19910.2019 5715.6824 178.8504 -337458.3205 23284.3961 0.0000 0.0000 44720.3208 -222412.5672 162.6802 -267132.8880 -222046.0750 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 21411.1733 19972.8932 5710.9491 178.5947 -338383.2511 23297.0671 0.0000 0.0000 45346.4580 -222466.1156 164.9580 -267812.5736 -222047.6088 164.9580 -4259.6998 -2477.6833 921491.4634 -4259.6998 -2477.6833
ENERGY: 471 21732.8680 20054.6832 5707.9626 178.5890 -338913.2455 23297.5083 0.0000 0.0000 45471.3372 -222470.2970 165.4122 -267941.6342 -222047.5359 165.4122 -4290.5687 -2504.3177 921491.4634 -4290.5687 -2504.3177
ENERGY: 472 22081.2363 20161.5549 5707.0091 178.9047 -338870.6766 23279.4489 0.0000 0.0000 45028.5302 -222433.9926 163.8014 -267462.5228 -222059.5055 163.8014 -3659.7363 -2479.9184 921491.4634 -3659.7363 -2479.9184
ENERGY: 473 21866.1363 20289.3424 5707.9843 179.6165 -338307.7189 23240.7361 0.0000 0.0000 44634.5179 -222389.3856 162.3681 -267023.9035 -222043.8536 162.3681 -2556.3618 -2408.1658 921491.4634 -2556.3618 -2408.1658
ENERGY: 474 20842.9704 20372.0984 5710.2160 180.7466 -337438.4549 23189.2345 0.0000 0.0000 44733.2312 -222409.9579 162.7272 -267143.1890 -222041.2617 162.7272 -1295.5526 -2316.2729 921491.4634 -1295.5526 -2316.2729
ENERGY: 475 19674.2079 20371.7672 5712.9876 182.2512 -336604.2310 23142.3814 0.0000 0.0000 45070.2143 -222450.4213 163.9531 -267520.6357 -222039.4527 163.9531 -344.6449 -2232.2127 921491.4634 -344.6449 -2232.2127
ENERGY: 476 19235.7861 20282.0273 5715.7683 184.0125 -336100.0905 23115.8463 0.0000 0.0000 45106.0639 -222460.5863 164.0835 -267566.6501 -222053.6139 164.0835 -92.4052 -2183.0656 921491.4634 -92.4052 -2183.0656
ENERGY: 477 19704.7249 20145.9812 5718.4976 185.9230 -336101.8793 23114.2935 0.0000 0.0000 44812.3214 -222420.1376 163.0149 -267232.4590 -222044.8412 163.0149 -667.4948 -2171.8232 921491.4634 -667.4948 -2171.8232
ENERGY: 478 20493.4776 19974.7639 5721.0254 187.7262 -336537.4042 23131.2456 0.0000 0.0000 44627.0338 -222402.1316 162.3409 -267029.1654 -222047.4108 162.3409 -1807.1607 -2198.7960 921491.4634 -1807.1607 -2198.7960
ENERGY: 479 21125.3060 19793.3958 5723.3295 189.2099 -337215.5845 23156.6768 0.0000 0.0000 44802.1582 -222425.5084 162.9779 -267227.6666 -222050.5461 162.9779 -3089.8520 -2246.7922 921491.4634 -3089.8520 -2246.7922
TIMING: 480 CPU: 225.665, 0.459039/step Wall: 225.665, 0.459039/step, 0.00255022 hours remaining, 3224.027344 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 21624.0330 19623.1967 5725.3111 190.1900 -337854.6792 23181.5115 0.0000 0.0000 45051.6818 -222458.7551 163.8856 -267510.4368 -222064.6210 163.8856 -4077.7330 -2291.4895 921491.4634 -4077.7330 -2291.4895
ENERGY: 481 22092.4856 19510.0437 5727.0952 190.6351 -338199.2488 23196.7955 0.0000 0.0000 45041.3371 -222440.8564 163.8480 -267482.1935 -222052.5266 163.8480 -4466.2398 -2305.6736 921491.4634 -4466.2398 -2305.6736
ENERGY: 482 22186.3469 19466.6799 5728.4964 190.3598 -338044.5424 23192.7471 0.0000 0.0000 44865.8523 -222414.0601 163.2096 -267279.9124 -222051.4113 163.2096 -4059.3102 -2278.0618 921491.4634 -4059.3102 -2278.0618
ENERGY: 483 21553.1413 19511.5750 5729.5660 189.3227 -337426.2190 23165.8737 0.0000 0.0000 44861.8972 -222414.8430 163.1953 -267276.7402 -222048.7673 163.1953 -2964.1726 -2216.4119 921491.4634 -2964.1726 -2216.4119
ENERGY: 484 20460.8926 19631.1944 5730.2465 187.5455 -336590.8885 23126.1349 0.0000 0.0000 45003.6033 -222451.2715 163.7107 -267454.8747 -222059.8740 163.7107 -1565.2427 -2143.1852 921491.4634 -1565.2427 -2143.1852
ENERGY: 485 19688.7720 19800.2995 5730.5256 185.2458 -335902.5865 23092.8468 0.0000 0.0000 44955.5725 -222449.3243 163.5360 -267404.8968 -222045.9603 163.5360 -422.1570 -2086.8737 921491.4634 -422.1570 -2086.8737
ENERGY: 486 19602.5425 19954.8178 5729.7198 182.4662 -335612.3566 23080.3806 0.0000 0.0000 44645.9117 -222416.5179 162.4096 -267062.4296 -222044.6758 162.4096 87.3181 -2070.0983 921491.4634 87.3181 -2070.0983
ENERGY: 487 19881.0923 20072.0214 5727.4347 179.4360 -335846.4480 23091.0544 0.0000 0.0000 44503.3495 -222392.0597 161.8910 -266895.4092 -222045.2404 161.8910 -192.2345 -2106.8841 921491.4634 -192.2345 -2106.8841
ENERGY: 488 20125.2097 20156.1362 5723.5441 176.4338 -336552.5452 23118.8617 0.0000 0.0000 44827.0559 -222425.3039 163.0685 -267252.3598 -222057.1936 163.0685 -1145.7532 -2194.6680 921491.4634 -1145.7532 -2194.6680
ENERGY: 489 20526.8872 20236.4608 5718.5748 173.8639 -337540.4657 23156.7312 0.0000 0.0000 45266.1006 -222461.8471 164.6656 -267727.9477 -222045.6083 164.6656 -2511.2404 -2316.7066 921491.4634 -2511.2404 -2316.7066
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7491 20292.9021 5712.8912 171.8438 -338458.1365 23196.4880 0.0000 0.0000 45213.5631 -222459.6991 164.4745 -267673.2622 -222048.2205 164.4745 -3823.4039 -2437.4154 921491.4634 -3823.4039 -2437.4154
ENERGY: 491 22430.4642 20312.1359 5707.3795 170.5404 -338984.5799 23226.0941 0.0000 0.0000 44733.0092 -222404.9566 162.7264 -267137.9658 -222049.4636 162.7264 -4629.6935 -2524.6214 921491.4634 -4629.6935 -2524.6214
ENERGY: 492 22612.9548 20289.6809 5702.9944 170.0208 -338937.5822 23232.7210 0.0000 0.0000 44542.1954 -222387.0148 162.0323 -266929.2102 -222060.3857 162.0323 -4606.8525 -2557.4728 921491.4634 -4606.8525 -2557.4728
ENERGY: 493 21558.2189 20260.7373 5700.7779 170.3201 -338358.0640 23214.0543 0.0000 0.0000 45033.8233 -222420.1323 163.8207 -267453.9556 -222046.5898 163.8207 -3796.3819 -2540.0994 921491.4634 -3796.3819 -2540.0994
ENERGY: 494 20068.3366 20225.0261 5700.9805 171.2193 -337454.3842 23183.0803 0.0000 0.0000 45622.2477 -222483.4936 165.9612 -268105.7414 -222044.0865 165.9612 -2500.8991 -2482.1066 921491.4634 -2500.8991 -2482.1066
ENERGY: 495 19383.2462 20186.8302 5703.5926 172.5416 -336566.9894 23159.4633 0.0000 0.0000 45484.1232 -222477.1922 165.4587 -267961.3154 -222041.5560 165.4587 -1249.6834 -2407.3053 921491.4634 -1249.6834 -2407.3053
ENERGY: 496 19722.4832 20130.6475 5708.0350 174.0933 -335998.7165 23154.2645 0.0000 0.0000 44699.5271 -222409.6658 162.6046 -267109.1929 -222049.0668 162.6046 -478.8994 -2343.4749 921491.4634 -478.8994 -2343.4749
ENERGY: 497 20212.6666 20059.9180 5713.4613 175.7242 -335952.5053 23166.3556 0.0000 0.0000 44261.0288 -222363.3508 161.0095 -266624.3797 -222042.7498 161.0095 -421.0228 -2316.7926 921491.4634 -421.0228 -2316.7926
ENERGY: 498 20182.0164 19957.1220 5718.5596 177.2604 -336366.4946 23189.3597 0.0000 0.0000 44728.2533 -222413.9231 162.7091 -267142.1764 -222044.5218 162.7091 -993.4675 -2331.6470 921491.4634 -993.4675 -2331.6470
ENERGY: 499 20158.0678 19847.7314 5722.4089 178.6361 -337058.4838 23219.2416 0.0000 0.0000 45439.2641 -222493.1337 165.2956 -267932.3979 -222047.2060 165.2956 -2020.8684 -2376.3387 921491.4634 -2020.8684 -2376.3387
Info: Benchmark time: 4 CPUs 0.458246 s/step 5.30378 days/ns 3224.03 MB memory
TIMING: 500 CPU: 234.765, 0.45498/step Wall: 234.765, 0.45498/step, 0 hours remaining, 3224.027344 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 19756.6590 5724.4523 179.8271 -337741.4209 23251.1021 0.0000 0.0000 45359.0774 -222495.4092 165.0039 -267854.4866 -222061.0910 165.0039 -3197.5166 -2425.4140 921491.4634 -3197.5166 -2425.4140
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, 3229.285 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.285 MB of memory in use
====================================================
WallClock: 241.930298 CPUTime: 241.930298 Memory: 3229.285156 MB
[Partition 0][Node 0] End of program
Application 109797039 resources: utime ~949s, stime ~20s, Rss ~126700, inblocks ~67012, outblocks ~72238
Displaying status file:
verified
WALL=241.930298
CPU=241.930298
MEM=3229.285156
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins1321733811712237975.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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