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 ============== 54.3196
LDB: Largest compute 200 load 0.430537 is 1.2% of average load 36.895979
LDB: Average compute 0.051697 is 0.1% of average load 36.895979
LDB: Partitioning computes with target load 3.689598
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.054716
LDB: ============== END OF LOAD BALANCING =============== 54.3217
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.3225
Info: Initial time: 4 CPUs 0.473953 s/step 5.48557 days/ns 3221.61 MB memory
TIMING: 100 CPU: 48.3665, 0.472938/step Wall: 48.3665, 0.472938/step, 0.0525487 hours remaining, 3221.609375 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 ============== 63.7631
LDB: ============== END OF LOAD BALANCING =============== 63.7631
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7636
TIMING: 120 CPU: 57.8067, 0.472008/step Wall: 57.8067, 0.472008/step, 0.0498231 hours remaining, 3221.746094 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 21553.6086 18898.7761 5736.4508 185.0194 -334776.0135 21118.0423 0.0000 0.0000 44811.1498 -222472.9666 163.0106 -267284.1164 -222216.5364 163.0106 -5536.0555 -2842.3154 921491.4634 -5536.0555 -2842.3154
ENERGY: 131 21530.9955 19804.6628 5745.0872 187.0957 -335083.2643 21105.7069 0.0000 0.0000 44221.5103 -222488.2059 160.8657 -266709.7162 -222215.1804 160.8657 -5164.7863 -2872.9597 921491.4634 -5164.7863 -2872.9597
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ENERGY: 133 21569.7011 21939.4306 5759.4053 191.1377 -334187.7141 21049.8506 0.0000 0.0000 41346.5715 -222331.6173 150.4075 -263678.1888 -222209.0244 150.4075 -2436.6193 -2806.2333 921491.4634 -2436.6193 -2806.2333
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ENERGY: 136 18381.4539 21453.0792 5750.0867 193.4037 -332655.7489 21006.3295 0.0000 0.0000 43348.3541 -222523.0418 157.6894 -265871.3959 -222211.0694 157.6894 198.1850 -2776.3543 921491.4634 198.1850 -2776.3543
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ENERGY: 138 21874.8524 19195.4803 5730.8549 192.8766 -333203.4344 21083.5324 0.0000 0.0000 42784.9639 -222340.8739 155.6399 -265125.8378 -222213.1815 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
ENERGY: 139 22116.0295 18330.1125 5724.2506 192.4679 -333575.3363 21115.6333 0.0000 0.0000 43705.6789 -222391.1636 158.9892 -266096.8425 -222217.3488 158.9892 -4443.4107 -3015.1528 921491.4634 -4443.4107 -3015.1528
TIMING: 140 CPU: 67.2407, 0.471698/step Wall: 67.2407, 0.471698/step, 0.0471698 hours remaining, 3222.023438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 140 20992.5976 17997.1578 5722.1741 192.2140 -333726.9442 21127.4061 0.0000 0.0000 45144.2514 -222551.1432 164.2224 -267695.3946 -222224.0361 164.2224 -5617.7628 -3080.3639 921491.4634 -5617.7628 -3080.3639
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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: 160 CPU: 76.6645, 0.471192/step Wall: 76.6645, 0.471192/step, 0.0445014 hours remaining, 3222.335938 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: 161 21561.6001 18685.5960 5704.9782 178.2042 -333710.7596 20865.7132 0.0000 0.0000 44220.7113 -222493.9566 160.8628 -266714.6679 -222160.9737 160.8628 -4385.1101 -2823.4851 921491.4634 -4385.1101 -2823.4851
ENERGY: 162 22512.8125 18508.1493 5697.2826 183.0024 -333202.6496 20887.8857 0.0000 0.0000 43070.6067 -222342.9103 156.6790 -265413.5170 -222161.4906 156.6790 -5004.1554 -2859.8870 921491.4634 -5004.1554 -2859.8870
ENERGY: 163 21937.9852 18346.8657 5696.1509 188.4544 -332368.8224 20884.6196 0.0000 0.0000 43005.6963 -222309.0504 156.4429 -265314.7466 -222160.7800 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
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ENERGY: 176 19195.1040 18891.7631 5743.5896 160.0071 -332124.2127 20943.2095 0.0000 0.0000 44722.5119 -222468.0275 162.6882 -267190.5395 -222127.3367 162.6882 -2658.3221 -2727.5043 921491.4634 -2658.3221 -2727.5043
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ENERGY: 178 21917.7899 18733.9560 5737.6245 154.5770 -332975.2974 21015.2132 0.0000 0.0000 43101.1544 -222314.9822 156.7902 -265416.1367 -222126.1319 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
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TIMING: 180 CPU: 86.0758, 0.470567/step Wall: 86.0758, 0.470567/step, 0.0418282 hours remaining, 3222.335938 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: 184 18376.8756 19424.9914 5710.5469 174.1844 -332181.9083 21042.4479 0.0000 0.0000 44880.5529 -222572.3092 163.2631 -267452.8621 -222144.6143 163.2631 -1576.6177 -2645.2274 921491.4634 -1576.6177 -2645.2274
ENERGY: 185 16957.7745 19234.6872 5697.7241 178.4155 -331895.6964 21023.9443 0.0000 0.0000 46149.4989 -222653.6519 167.8792 -268803.1508 -222128.1657 167.8792 -1752.9885 -2679.2077 921491.4634 -1752.9885 -2679.2077
ENERGY: 186 19266.0407 19234.9571 5686.4352 181.9571 -332240.0940 21043.7459 0.0000 0.0000 44391.5888 -222435.3692 161.4844 -266826.9580 -222129.2889 161.4844 -2596.4734 -2731.4264 921491.4634 -2596.4734 -2731.4264
ENERGY: 187 22073.2968 19471.4303 5678.7398 184.6336 -333156.1129 21076.9264 0.0000 0.0000 42449.0056 -222222.0802 154.4178 -264671.0858 -222130.9081 154.4178 -3641.8537 -2802.0867 921491.4634 -3641.8537 -2802.0867
ENERGY: 188 22101.1829 19886.6773 5676.0120 186.3502 -334382.7611 21093.9044 0.0000 0.0000 43113.1617 -222325.4726 156.8338 -265438.6342 -222135.3907 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 19755.8663 19594.9321 5717.4229 183.5644 -332319.6952 21082.8579 0.0000 0.0000 43603.6154 -222381.4362 158.6180 -265985.0516 -222096.3128 158.6180 -1480.5942 -2574.8092 921491.4634 -1480.5942 -2574.8092
ENERGY: 197 21700.3670 19122.7581 5714.1451 184.7200 -332668.2731 21129.4587 0.0000 0.0000 42574.3654 -222242.4588 154.8738 -264816.8242 -222086.7181 154.8738 -3040.7438 -2596.5494 921491.4634 -3040.7438 -2596.5494
ENERGY: 198 21224.0059 18800.3006 5711.3574 186.3640 -333385.4997 21161.1533 0.0000 0.0000 43911.2863 -222391.0321 159.7372 -266302.3184 -222090.4392 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
ENERGY: 199 20113.4046 18634.4040 5710.3429 188.2374 -334151.8585 21182.1776 0.0000 0.0000 45722.9588 -222600.3331 166.3276 -268323.2919 -222093.2751 166.3276 -5152.2284 -2691.5412 921491.4634 -5152.2284 -2691.5412
LDB: ============= START OF LOAD BALANCING ============== 101.445
LDB: Largest compute 200 load 0.425789 is 1.2% of average load 36.715398
LDB: Average compute 0.051437 is 0.1% of average load 36.715398
LDB: TIME 101.447 LOAD: AVG 36.7154 MAX 37.6813 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.68 MB
LDB: TIME 101.449 LOAD: AVG 36.7154 MAX 37.5528 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.68 MB
LDB: ============== END OF LOAD BALANCING =============== 101.451
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.454
Info: Initial time: 4 CPUs 0.471187 s/step 5.45355 days/ns 3223.92 MB memory
TIMING: 200 CPU: 95.4952, 0.470967/step Wall: 95.4952, 0.470967/step, 0.0392472 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: 200 21073.6835 18595.6349 5711.8747 190.0258 -334670.2807 21209.9247 0.0000 0.0000 45319.1601 -222569.9771 164.8586 -267889.1372 -222114.5244 164.8586 -5241.8523 -2703.6812 921491.4634 -5241.8523 -2703.6812
ENERGY: 201 23380.1029 18674.3332 5716.2802 191.4189 -334751.7128 21239.1340 0.0000 0.0000 43222.4695 -222327.9741 157.2315 -265550.4437 -222100.1077 157.2315 -4546.2002 -2661.1900 921491.4634 -4546.2002 -2661.1900
ENERGY: 202 23622.8116 18850.8449 5722.5980 192.1474 -334305.3004 21243.2751 0.0000 0.0000 42432.5588 -222241.0646 154.3580 -264673.6234 -222096.8290 154.3580 -3005.0517 -2588.0013 921491.4634 -3005.0517 -2588.0013
ENERGY: 203 20743.8945 19130.0389 5729.2399 192.0764 -333501.9371 21215.8253 0.0000 0.0000 44059.6987 -222431.1633 160.2771 -266490.8620 -222093.6426 160.2771 -1046.8257 -2512.4434 921491.4634 -1046.8257 -2512.4434
ENERGY: 204 17862.6125 19486.9556 5734.1463 191.2124 -332722.2199 21188.8402 0.0000 0.0000 45629.4719 -222628.9809 165.9875 -268258.4528 -222116.7001 165.9875 452.9932 -2462.2929 921491.4634 452.9932 -2462.2929
ENERGY: 205 18189.0792 19868.9414 5735.7153 189.6741 -332398.2550 21197.9185 0.0000 0.0000 44690.7148 -222526.2117 162.5725 -267216.9265 -222099.8060 162.5725 731.8534 -2447.6353 921491.4634 731.8534 -2447.6353
ENERGY: 206 20668.8902 20170.9986 5732.9811 187.6404 -332716.3433 21241.8390 0.0000 0.0000 42439.0584 -222274.9356 154.3816 -264713.9940 -222100.3397 154.3816 -230.6569 -2488.2937 921491.4634 -230.6569 -2488.2937
ENERGY: 207 21693.8032 20338.2891 5726.5434 185.3060 -333603.9790 21289.9000 0.0000 0.0000 42143.6914 -222226.4459 153.3072 -264370.1372 -222103.0932 153.3072 -1896.3478 -2585.9682 921491.4634 -1896.3478 -2585.9682
ENERGY: 208 20293.2701 20371.8904 5718.1572 182.8654 -334789.2377 21322.2409 0.0000 0.0000 44428.6270 -222472.1866 161.6191 -266900.8136 -222122.6315 161.6191 -3669.0642 -2719.7952 921491.4634 -3669.0642 -2719.7952
ENERGY: 209 19428.8169 20325.0059 5710.3389 180.5135 -335910.2412 21349.5043 0.0000 0.0000 46273.6801 -222642.3816 168.3309 -268916.0617 -222106.7901 168.3309 -5197.7273 -2836.6306 921491.4634 -5197.7273 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1733 20194.2570 5705.3139 178.4614 -336615.7767 21385.1095 0.0000 0.0000 45251.4334 -222516.0282 164.6123 -267767.4616 -222108.2016 164.6123 -6091.3661 -2896.2627 921491.4634 -6091.3661 -2896.2627
ENERGY: 211 24099.1927 19985.8633 5704.9373 176.9105 -336667.8927 21415.1476 0.0000 0.0000 43031.7285 -222254.1129 156.5376 -265285.8414 -222106.8542 156.5376 -5900.2976 -2885.1010 921491.4634 -5900.2976 -2885.1010
ENERGY: 212 23739.2709 19730.8224 5710.0295 176.0352 -336013.6226 21412.5982 0.0000 0.0000 42995.1638 -222249.7026 156.4046 -265244.8664 -222104.2318 156.4046 -4424.1002 -2820.3211 921491.4634 -4424.1002 -2820.3211
ENERGY: 213 20150.2160 19524.5250 5720.1722 175.9508 -334874.6444 21380.5551 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2252 -222097.3834 165.2210 -2174.3118 -2725.0842 921491.4634 -2174.3118 -2725.0842
ENERGY: 214 17315.5530 19421.7450 5733.3059 176.6827 -333645.3937 21358.4485 0.0000 0.0000 46958.4702 -222681.1884 170.8220 -269639.6587 -222093.7407 170.8220 -143.6687 -2626.0579 921491.4634 -143.6687 -2626.0579
ENERGY: 215 18210.5057 19441.9745 5746.5772 178.1492 -332787.3323 21379.5596 0.0000 0.0000 45302.6745 -222527.8916 164.7987 -267830.5661 -222091.0447 164.7987 784.0013 -2554.0369 921491.4634 784.0013 -2554.0369
ENERGY: 216 20973.4718 19522.5063 5756.9571 180.1770 -332560.1062 21436.4836 0.0000 0.0000 42442.1788 -222248.3317 154.3930 -264690.5104 -222073.6155 154.3930 420.9900 -2541.5428 921491.4634 420.9900 -2541.5428
ENERGY: 217 21778.3867 19581.4821 5762.2416 182.5517 -333010.6758 21497.2705 0.0000 0.0000 41983.6751 -222225.0681 152.7251 -264208.7432 -222064.4463 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9156 19540.0891 5761.2415 184.9927 -333856.1146 21546.6561 0.0000 0.0000 44178.6837 -222478.5359 160.7099 -266657.2196 -222068.8154 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
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TIMING: 220 CPU: 104.925, 0.471505/step Wall: 104.925, 0.471505/step, 0.0366726 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
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ENERGY: 223 20286.4336 19110.8426 5708.3528 191.5579 -334633.3915 21665.5242 0.0000 0.0000 45168.7533 -222501.9271 164.3115 -267670.6804 -222072.2458 164.3115 -3322.8076 -2753.9475 921491.4634 -3322.8076 -2753.9475
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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: 233 20035.6404 19318.2044 5703.4910 182.6157 -334889.2831 21760.7376 0.0000 0.0000 45350.0987 -222538.4952 164.9712 -267888.5940 -222089.6821 164.9712 -3899.2117 -2646.7386 921491.4634 -3899.2117 -2646.7386
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ENERGY: 238 19419.4412 19404.0883 5740.6977 175.0128 -333964.3148 21778.9043 0.0000 0.0000 44901.2437 -222544.9269 163.3384 -267446.1706 -222065.9777 163.3384 -987.6012 -2425.5309 921491.4634 -987.6012 -2425.5309
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TIMING: 240 CPU: 114.352, 0.471314/step Wall: 114.352, 0.471314/step, 0.0340393 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: 240 22861.0419 20119.9134 5760.6909 171.4213 -335766.3622 21854.4252 0.0000 0.0000 42641.4775 -222357.3919 155.1180 -264998.8694 -222074.0952 155.1180 -3844.9083 -2568.3895 921491.4634 -3844.9083 -2568.3895
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ENERGY: 242 22110.7716 20111.8209 5758.5348 169.0441 -335904.8194 21831.0567 0.0000 0.0000 43526.8720 -222396.7195 158.3388 -265923.5914 -222063.5735 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3621 19969.6445 5749.3614 168.8705 -335233.7067 21770.4747 0.0000 0.0000 45537.0690 -222575.9245 165.6513 -268112.9935 -222061.6673 165.6513 -3760.4506 -2614.6992 921491.4634 -3760.4506 -2614.6992
ENERGY: 244 18822.2466 19849.3935 5737.4544 169.6534 -334482.6009 21720.5675 0.0000 0.0000 45629.1662 -222554.1194 165.9864 -268183.2855 -222078.7770 165.9864 -2667.7299 -2573.2149 921491.4634 -2667.7299 -2573.2149
ENERGY: 245 20148.2369 19811.7600 5725.7785 171.4559 -334087.5946 21701.2469 0.0000 0.0000 44168.5248 -222360.5917 160.6730 -266529.1165 -222068.6365 160.6730 -1771.6902 -2533.5454 921491.4634 -1771.6902 -2533.5454
ENERGY: 246 20878.5481 19853.7025 5716.8932 174.1558 -334213.1205 21705.0849 0.0000 0.0000 43600.4182 -222284.3178 158.6063 -265884.7360 -222067.4295 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5286 19979.6441 5712.7400 177.5412 -334802.1841 21719.8453 0.0000 0.0000 44912.1912 -222431.6936 163.3782 -267343.8849 -222068.1393 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4924 20164.4297 5713.8450 181.3144 -335623.1351 21746.4310 0.0000 0.0000 46185.9362 -222595.6863 168.0117 -268781.6226 -222090.3125 168.0117 -1359.1245 -2608.3066 921491.4634 -1359.1245 -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
ENERGY: 250 23155.2056 20422.5258 5726.1009 188.5682 -336907.4406 21832.9288 0.0000 0.0000 43252.1659 -222329.9455 157.3395 -265582.1114 -222084.2876 157.3395 -3365.2094 -2722.3880 921491.4634 -3365.2094 -2722.3880
ENERGY: 251 24002.1397 20302.5997 5731.6573 191.5295 -336816.8446 21849.8672 0.0000 0.0000 42475.2393 -222263.8119 154.5132 -264739.0511 -222084.8988 154.5132 -3958.0339 -2753.0723 921491.4634 -3958.0339 -2753.0723
ENERGY: 252 21994.9041 20013.1599 5733.2541 193.8023 -336093.2675 21826.9294 0.0000 0.0000 43905.3721 -222425.8455 159.7157 -266331.2176 -222091.3304 159.7157 -3843.4682 -2758.0338 921491.4634 -3843.4682 -2758.0338
ENERGY: 253 19499.8638 19667.1122 5729.5496 195.2411 -334977.1806 21784.0536 0.0000 0.0000 45520.0192 -222581.3411 165.5893 -268101.3603 -222082.7204 165.5893 -3300.1274 -2735.8131 921491.4634 -3300.1274 -2735.8131
ENERGY: 254 19073.0883 19348.2296 5720.5008 195.9622 -333839.8798 21752.6523 0.0000 0.0000 45220.9196 -222528.5271 164.5013 -267749.4466 -222080.4685 164.5013 -2707.1338 -2696.1701 921491.4634 -2707.1338 -2696.1701
ENERGY: 255 20324.2312 19109.4102 5707.6062 196.0620 -333099.9232 21746.1514 0.0000 0.0000 43667.4213 -222349.0409 158.8501 -266016.4622 -222078.3975 158.8501 -2282.5426 -2662.7814 921491.4634 -2282.5426 -2662.7814
ENERGY: 256 20899.4410 18950.9578 5693.4518 195.6570 -332975.5972 21757.6847 0.0000 0.0000 43181.1613 -222297.2437 157.0812 -265478.4051 -222071.2739 157.0812 -2042.2409 -2664.5198 921491.4634 -2042.2409 -2664.5198
ENERGY: 257 20029.5653 18878.1873 5681.1759 194.7976 -333481.0038 21780.2418 0.0000 0.0000 44488.5470 -222428.4890 161.8371 -266917.0359 -222060.1683 161.8371 -2035.5361 -2692.1441 921491.4634 -2035.5361 -2692.1441
ENERGY: 258 19453.5866 18882.0666 5673.2911 193.6684 -334373.1543 21817.5077 0.0000 0.0000 45796.2578 -222556.7761 166.5942 -268353.0339 -222062.0607 166.5942 -2331.2326 -2737.1919 921491.4634 -2331.2326 -2737.1919
ENERGY: 259 20717.7707 18984.1029 5671.3007 192.3773 -335369.5275 21871.0065 0.0000 0.0000 45431.1555 -222501.8138 165.2661 -267932.9693 -222063.7305 165.2661 -2890.3668 -2780.4961 921491.4634 -2890.3668 -2780.4961
TIMING: 260 CPU: 123.762, 0.470537/step Wall: 123.762, 0.470537/step, 0.0313691 hours remaining, 3224.226562 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: 260 22744.9541 19188.2462 5675.1875 191.0393 -336169.7727 21924.7892 0.0000 0.0000 44083.4306 -222362.1256 160.3634 -266445.5562 -222069.6812 160.3634 -3407.4792 -2810.9878 921491.4634 -3407.4792 -2810.9878
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ENERGY: 262 21606.2724 19814.6777 5694.0656 188.7122 -336291.7859 21947.6073 0.0000 0.0000 44601.6347 -222438.8160 162.2485 -267040.4507 -222052.4323 162.2485 -3214.7561 -2810.4637 921491.4634 -3214.7561 -2810.4637
ENERGY: 263 19781.1229 20140.5622 5703.8103 187.9445 -335614.9714 21924.4739 0.0000 0.0000 45349.7772 -222527.2804 164.9700 -267877.0576 -222051.1547 164.9700 -2647.8116 -2773.3903 921491.4634 -2647.8116 -2773.3903
ENERGY: 264 19385.2261 20436.4305 5710.6950 187.5052 -334855.9512 21907.7772 0.0000 0.0000 44751.4785 -222476.8387 162.7936 -267228.3172 -222069.1982 162.7936 -2191.1928 -2723.5294 921491.4634 -2191.1928 -2723.5294
ENERGY: 265 19946.8416 20681.9925 5713.6241 187.4392 -334395.6633 21906.0163 0.0000 0.0000 43607.6376 -222352.1119 158.6326 -265959.7495 -222054.3370 158.6326 -2038.0574 -2683.6035 921491.4634 -2038.0574 -2683.6035
ENERGY: 266 20048.7899 20788.8701 5712.1327 187.6137 -334399.4577 21914.4804 0.0000 0.0000 43399.3799 -222348.1911 157.8750 -265747.5709 -222054.3633 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0905 20691.2679 5707.0583 187.8501 -334831.4855 21930.8374 0.0000 0.0000 44220.2169 -222446.1644 160.8610 -266666.3814 -222055.6583 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9160 20375.7517 5700.1930 187.9286 -335513.7450 21959.1257 0.0000 0.0000 44823.5377 -222504.2924 163.0557 -267327.8301 -222075.9874 163.0557 -2903.2124 -2658.6181 921491.4634 -2903.2124 -2658.6181
ENERGY: 269 21396.7812 19927.1703 5694.0390 187.7640 -336221.0661 21997.2160 0.0000 0.0000 44586.5099 -222431.5857 162.1935 -267018.0956 -222066.1972 162.1935 -3401.4127 -2647.2950 921491.4634 -3401.4127 -2647.2950
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 -336650.6774 22028.8070 0.0000 0.0000 44308.0076 -222365.2737 161.1804 -266673.2813 -222067.0433 161.1804 -3583.3632 -2617.7583 921491.4634 -3583.3632 -2617.7583
ENERGY: 271 22345.5821 19078.8066 5690.0209 186.1610 -336571.7892 22035.2501 0.0000 0.0000 44829.4474 -222406.5211 163.0772 -267235.9685 -222066.8385 163.0772 -3261.2173 -2569.2622 921491.4634 -3261.2173 -2569.2622
ENERGY: 272 21021.5584 18896.0662 5692.8269 184.9335 -335921.4615 22015.0580 0.0000 0.0000 45607.7077 -222503.3110 165.9083 -268111.0186 -222081.1571 165.9083 -2551.9684 -2501.8805 921491.4634 -2551.9684 -2501.8805
ENERGY: 273 20123.2137 18932.9080 5697.5118 183.8526 -334925.7013 21985.5296 0.0000 0.0000 45502.7161 -222499.9695 165.5264 -268002.6856 -222069.0459 165.5264 -1837.1977 -2434.6761 921491.4634 -1837.1977 -2434.6761
ENERGY: 274 20074.7418 19121.4862 5701.6806 183.0070 -333931.6259 21965.2976 0.0000 0.0000 44478.5176 -222406.8952 161.8006 -266885.4127 -222066.8028 161.8006 -1366.5215 -2384.6635 921491.4634 -1366.5215 -2384.6635
ENERGY: 275 20005.4318 19374.0680 5703.3424 182.5376 -333318.5605 21960.8299 0.0000 0.0000 43741.9684 -222350.3824 159.1213 -266092.3508 -222065.7692 159.1213 -1269.7933 -2374.8869 921491.4634 -1269.7933 -2374.8869
ENERGY: 276 19401.8502 19594.7508 5701.2547 182.4904 -333292.1281 21971.0409 0.0000 0.0000 44028.5272 -222412.2139 160.1637 -266440.7412 -222072.9394 160.1637 -1580.1301 -2417.6041 921491.4634 -1580.1301 -2417.6041
ENERGY: 277 19149.2972 19724.7160 5695.5210 182.9396 -333864.3453 21997.2387 0.0000 0.0000 44632.8112 -222481.8217 162.3619 -267114.6328 -222061.0987 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4576 19713.7760 5686.9122 183.6585 -334821.1002 22041.3358 0.0000 0.0000 44532.2540 -222463.7060 161.9961 -266995.9600 -222063.4130 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3648 19593.9431 5677.5176 184.5187 -335888.5799 22096.4198 0.0000 0.0000 43975.0880 -222376.7278 159.9693 -266351.8158 -222065.2023 159.9693 -4044.3211 -2682.8389 921491.4634 -4044.3211 -2682.8389
TIMING: 280 CPU: 133.166, 0.47021/step Wall: 133.166, 0.47021/step, 0.028735 hours remaining, 3224.226562 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: 280 22859.3228 19458.4367 5670.0026 185.3899 -336752.6632 22145.1353 0.0000 0.0000 44066.7339 -222367.6420 160.3027 -266434.3759 -222073.4247 160.3027 -4286.3892 -2748.0546 921491.4634 -4286.3892 -2748.0546
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ENERGY: 282 20943.7898 19615.5379 5669.9796 186.8360 -336942.5036 22176.7654 0.0000 0.0000 45823.3371 -222526.2578 166.6927 -268349.5949 -222063.3317 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
ENERGY: 283 20432.1062 19966.6615 5678.8137 187.1634 -336251.9204 22171.0648 0.0000 0.0000 45328.8521 -222487.2588 164.8939 -267816.1109 -222060.8460 164.8939 -2008.7738 -2748.2306 921491.4634 -2008.7738 -2748.2306
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ENERGY: 285 20203.3288 20789.9630 5707.3565 186.7145 -334827.1968 22167.0165 0.0000 0.0000 43418.2633 -222354.5543 157.9437 -265772.8176 -222053.5965 157.9437 -1010.8440 -2700.0821 921491.4634 -1010.8440 -2700.0821
ENERGY: 286 19396.6310 20966.5623 5721.5032 185.8229 -334658.1150 22176.6862 0.0000 0.0000 43785.6884 -222425.2211 159.2803 -266210.9094 -222054.0580 159.2803 -1306.7504 -2717.2847 921491.4634 -1306.7504 -2717.2847
ENERGY: 287 19176.1190 20856.7824 5731.9346 184.4714 -334918.1481 22200.2909 0.0000 0.0000 44282.9439 -222485.6057 161.0892 -266768.5496 -222055.7251 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
ENERGY: 288 20263.2088 20475.2852 5736.9558 182.7335 -335468.3150 22237.9037 0.0000 0.0000 44116.9906 -222455.2376 160.4855 -266572.2281 -222066.9053 160.4855 -3310.5878 -2790.1554 921491.4634 -3310.5878 -2790.1554
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.542
LDB: Largest compute 200 load 0.526636 is 1.1% of average load 45.864561
LDB: Average compute 0.064238 is 0.1% of average load 45.864561
LDB: TIME 148.544 LOAD: AVG 45.8646 MAX 47.0799 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.23 MB
LDB: TIME 148.544 LOAD: AVG 45.8646 MAX 47.0799 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.23 MB
LDB: TIME 148.56 LOAD: AVG 45.8646 MAX 46.3836 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.23 MB
LDB: ============== END OF LOAD BALANCING =============== 148.561
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.562
Info: Initial time: 4 CPUs 0.470583 s/step 5.44656 days/ns 3224.23 MB memory
TIMING: 300 CPU: 142.574, 0.470386/step Wall: 142.574, 0.470386/step, 0.0261326 hours remaining, 3224.226562 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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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: 151.816, 0.462111/step Wall: 151.816, 0.462111/step, 0.0231055 hours remaining, 3224.226562 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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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: 161.053, 0.461851/step Wall: 161.053, 0.461851/step, 0.0205267 hours remaining, 3224.226562 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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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: 170.284, 0.461545/step Wall: 170.284, 0.461545/step, 0.017949 hours remaining, 3224.226562 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: 360 21112.5810 20418.0334 5690.9152 182.1442 -338077.5505 22797.1675 0.0000 0.0000 45362.4568 -222514.2524 165.0162 -267876.7092 -222065.3876 165.0162 -3505.9501 -2622.8571 921491.4634 -3505.9501 -2622.8571
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ENERGY: 362 22808.6002 20031.2791 5688.3204 181.6679 -338079.7613 22835.7524 0.0000 0.0000 44200.9552 -222333.1861 160.7909 -266534.1413 -222051.2757 160.7909 -3087.0696 -2583.1905 921491.4634 -3087.0696 -2583.1905
ENERGY: 363 21303.6021 19794.1190 5692.1162 181.3427 -337235.0091 22818.0650 0.0000 0.0000 45033.6627 -222412.1015 163.8201 -267445.7641 -222049.5300 163.8201 -2242.6819 -2529.7064 921491.4634 -2242.6819 -2529.7064
ENERGY: 364 19323.8976 19612.6017 5699.8913 181.0103 -336175.2001 22790.5192 0.0000 0.0000 46034.3489 -222532.9312 167.4603 -268567.2800 -222068.5917 167.4603 -1420.0427 -2476.3758 921491.4634 -1420.0427 -2476.3758
ENERGY: 365 18830.5841 19548.3423 5710.7558 180.6857 -335316.0972 22775.7830 0.0000 0.0000 45760.0887 -222509.8575 166.4626 -268269.9462 -222057.4401 166.4626 -1100.2609 -2433.4823 921491.4634 -1100.2609 -2433.4823
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ENERGY: 368 20561.5935 19748.2124 5739.6691 179.8275 -335728.0876 22808.6653 0.0000 0.0000 44272.8406 -222417.2793 161.0524 -266690.1199 -222068.2912 161.0524 -2928.4885 -2487.3070 921491.4634 -2928.4885 -2487.3070
ENERGY: 369 20346.9676 19812.6209 5741.6370 179.5048 -336580.3310 22825.3360 0.0000 0.0000 45155.6307 -222518.6341 164.2638 -267674.2648 -222061.1001 164.2638 -3666.9888 -2542.4573 921491.4634 -3666.9888 -2542.4573
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 370 21302.3704 19815.7286 5738.6028 179.1429 -337296.0556 22846.3051 0.0000 0.0000 44920.4942 -222493.4117 163.4084 -267413.9059 -222062.2626 163.4084 -4081.4433 -2576.8189 921491.4634 -4081.4433 -2576.8189
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ENERGY: 376 19884.0273 19962.1762 5703.2010 181.1433 -335321.8631 22772.8703 0.0000 0.0000 44434.3275 -222384.1175 161.6399 -266818.4449 -222050.5529 161.6399 -874.6222 -2439.6902 921491.4634 -874.6222 -2439.6902
ENERGY: 377 20646.4608 20251.1592 5706.5522 182.3249 -335763.5801 22794.3775 0.0000 0.0000 43848.2754 -222334.4302 159.5080 -266182.7055 -222041.4012 159.5080 -1819.5857 -2472.4985 921491.4634 -1819.5857 -2472.4985
ENERGY: 378 20473.8098 20495.6594 5711.4639 183.2952 -336584.2278 22821.5839 0.0000 0.0000 44474.7536 -222423.6620 161.7869 -266898.4156 -222044.3966 161.7869 -2972.9871 -2523.3498 921491.4634 -2972.9871 -2523.3498
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TIMING: 380 CPU: 179.51, 0.461281/step Wall: 179.51, 0.461281/step, 0.015376 hours remaining, 3224.226562 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: 382 22844.1903 20220.4988 5718.3197 182.2157 -338010.6536 22930.5476 0.0000 0.0000 43766.5296 -222348.3519 159.2106 -266114.8815 -222051.0363 159.2106 -3524.7148 -2418.5487 921491.4634 -3524.7148 -2418.5487
ENERGY: 383 21263.6992 19910.9249 5714.6670 180.7420 -337128.0230 22911.2848 0.0000 0.0000 44707.9441 -222438.7611 162.6352 -267146.7052 -222048.1880 162.6352 -2023.0802 -2294.0130 921491.4634 -2023.0802 -2294.0130
ENERGY: 384 19625.4114 19596.0356 5710.5349 179.0647 -336052.0488 22884.2537 0.0000 0.0000 45539.1829 -222517.5656 165.6590 -268056.7485 -222062.0924 165.6590 -569.2378 -2166.9356 921491.4634 -569.2378 -2166.9356
ENERGY: 385 19327.8182 19356.8914 5707.7751 177.4354 -335210.6402 22871.6146 0.0000 0.0000 45299.7167 -222469.3888 164.7879 -267769.1054 -222051.0991 164.7879 215.3515 -2064.3635 921491.4634 215.3515 -2064.3635
ENERGY: 386 19981.2273 19220.9467 5707.6638 175.9384 -334865.1818 22880.7960 0.0000 0.0000 44519.8582 -222378.7514 161.9510 -266898.6096 -222051.0436 161.9510 122.6670 -2011.2426 921491.4634 122.6670 -2011.2426
ENERGY: 387 20367.2859 19202.4846 5710.9354 174.6759 -335109.8726 22905.2746 0.0000 0.0000 44377.1813 -222372.0348 161.4320 -266749.2161 -222053.0048 161.4320 -738.9583 -2019.1687 921491.4634 -738.9583 -2019.1687
ENERGY: 388 20282.3985 19280.0168 5717.2934 173.7038 -335824.1516 22938.2903 0.0000 0.0000 44972.7760 -222459.6728 163.5986 -267432.4487 -222067.4814 163.5986 -2063.8551 -2076.2819 921491.4634 -2063.8551 -2076.2819
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 397 19906.7784 20200.7711 5721.4919 176.2273 -336102.8178 22990.0377 0.0000 0.0000 44712.8674 -222394.6442 162.6531 -267107.5115 -222042.6600 162.6531 -376.0863 -2327.2102 921491.4634 -376.0863 -2327.2102
ENERGY: 398 19692.8115 20133.3592 5716.9814 176.0456 -336812.3381 23014.0587 0.0000 0.0000 45592.7321 -222486.3496 165.8538 -268079.0817 -222045.7222 165.8538 -1710.2237 -2443.6966 921491.4634 -1710.2237 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 194.73
LDB: Largest compute 230 load 0.526239 is 1.2% of average load 45.742054
LDB: Average compute 0.064073 is 0.1% of average load 45.742054
LDB: TIME 194.732 LOAD: AVG 45.7421 MAX 46.1674 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.23 MB
LDB: TIME 194.732 LOAD: AVG 45.7421 MAX 46.1674 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.23 MB
LDB: TIME 194.733 LOAD: AVG 45.7421 MAX 46.1674 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.23 MB
LDB: ============== END OF LOAD BALANCING =============== 194.733
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.734
Info: Benchmark time: 4 CPUs 0.461611 s/step 5.34272 days/ns 3224.23 MB memory
TIMING: 400 CPU: 188.739, 0.461469/step Wall: 188.739, 0.461469/step, 0.0128186 hours remaining, 3224.226562 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: 400 21983.9557 19981.4883 5714.2278 174.7230 -338264.6726 23090.3529 0.0000 0.0000 44890.2680 -222429.6570 163.2985 -267319.9250 -222060.6830 163.2985 -4748.6077 -2656.9998 921491.4634 -4748.6077 -2656.9998
ENERGY: 401 23053.7072 19909.1479 5715.0562 174.0724 -338477.1022 23114.9568 0.0000 0.0000 44157.6675 -222352.4942 160.6335 -266510.1618 -222050.1989 160.6335 -5384.8815 -2700.1794 921491.4634 -5384.8815 -2700.1794
ENERGY: 402 22444.0478 19835.9110 5715.8942 173.8391 -338107.6285 23109.6379 0.0000 0.0000 44436.8096 -222391.4889 161.6489 -266828.2985 -222049.2225 161.6489 -4939.3795 -2681.7025 921491.4634 -4939.3795 -2681.7025
ENERGY: 403 20784.9693 19778.4830 5715.7218 174.2695 -337239.9782 23077.8402 0.0000 0.0000 45225.5960 -222483.0983 164.5183 -267708.6944 -222046.6853 164.5183 -3613.5979 -2605.7428 921491.4634 -3613.5979 -2605.7428
ENERGY: 404 19687.5953 19735.4030 5713.8114 175.5084 -336169.1136 23038.2900 0.0000 0.0000 45313.8390 -222504.6665 164.8393 -267818.5055 -222060.2367 164.8393 -1967.0747 -2494.0438 921491.4634 -1967.0747 -2494.0438
ENERGY: 405 19798.8802 19696.7726 5710.0280 177.6162 -335317.9342 23008.3947 0.0000 0.0000 44511.4432 -222414.7993 161.9204 -266926.2425 -222047.5585 161.9204 -627.4749 -2380.7862 921491.4634 -627.4749 -2380.7862
ENERGY: 406 20210.3504 19614.0444 5704.4964 180.4779 -334953.8231 22994.4761 0.0000 0.0000 43902.7661 -222347.2117 159.7062 -266249.9778 -222046.2400 159.7062 66.0353 -2300.4795 921491.4634 66.0353 -2300.4795
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ENERGY: 408 19735.8468 19387.6643 5692.2151 187.5226 -335902.8214 23017.8171 0.0000 0.0000 45394.4120 -222487.3433 165.1324 -267881.7554 -222063.5313 165.1324 -920.8281 -2294.1557 921491.4634 -920.8281 -2294.1557
ENERGY: 409 20350.1187 19376.4606 5688.4775 191.1593 -336896.6842 23057.9920 0.0000 0.0000 45733.6057 -222498.8705 166.3663 -268232.4762 -222051.6706 166.3663 -2367.4920 -2346.9326 921491.4634 -2367.4920 -2346.9326
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5211 19470.1801 5687.6649 194.4179 -337813.1840 23106.2026 0.0000 0.0000 45077.0713 -222427.1262 163.9780 -267504.1975 -222054.6429 163.9780 -3838.6212 -2402.0241 921491.4634 -3838.6212 -2402.0241
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ENERGY: 412 22535.8950 19878.8219 5694.3233 198.8205 -338356.4967 23146.2932 0.0000 0.0000 44499.5086 -222402.8342 161.8770 -266902.3428 -222068.4598 161.8770 -4717.2140 -2436.3029 921491.4634 -4717.2140 -2436.3029
ENERGY: 413 21130.1417 20138.5247 5699.9334 199.7191 -337872.5312 23125.1111 0.0000 0.0000 45113.2143 -222465.8869 164.1095 -267579.1012 -222055.3453 164.1095 -3850.6271 -2398.9550 921491.4634 -3850.6271 -2398.9550
ENERGY: 414 19987.3857 20381.5505 5705.1135 199.5118 -337122.7791 23094.4552 0.0000 0.0000 45271.6527 -222483.1097 164.6858 -267754.7624 -222052.1623 164.6858 -2501.3244 -2333.9465 921491.4634 -2501.3244 -2333.9465
ENERGY: 415 19745.2667 20572.1259 5708.7452 198.1487 -336456.1966 23071.1985 0.0000 0.0000 44733.2272 -222427.4844 162.7272 -267160.7116 -222049.0346 162.7272 -1174.6455 -2266.5616 921491.4634 -1174.6455 -2266.5616
ENERGY: 416 19942.3169 20661.9896 5710.0857 195.6953 -336157.5852 23063.1708 0.0000 0.0000 44200.2849 -222384.0420 160.7885 -266584.3269 -222052.9643 160.7885 -282.7615 -2224.6898 921491.4634 -282.7615 -2224.6898
ENERGY: 417 20031.3747 20631.3210 5709.0493 192.4696 -336373.1065 23072.1091 0.0000 0.0000 44338.4619 -222398.3208 161.2911 -266736.7827 -222044.6992 161.2911 -112.4554 -2227.1700 921491.4634 -112.4554 -2227.1700
ENERGY: 418 20154.6645 20457.0910 5705.5847 188.6536 -336970.7856 23098.6718 0.0000 0.0000 44915.1422 -222450.9777 163.3889 -267366.1199 -222046.7092 163.3889 -671.8546 -2269.9922 921491.4634 -671.8546 -2269.9922
ENERGY: 419 20790.7629 20185.5525 5700.4810 184.6054 -337717.8744 23139.8015 0.0000 0.0000 45250.3099 -222466.3612 164.6082 -267716.6711 -222049.5949 164.6082 -1783.9421 -2336.6466 921491.4634 -1783.9421 -2336.6466
TIMING: 420 CPU: 197.938, 0.459949/step Wall: 197.938, 0.459949/step, 0.0102211 hours remaining, 3224.226562 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: 422 22275.7612 19449.5351 5688.9976 174.4058 -338225.0304 23208.5466 0.0000 0.0000 45004.7083 -222423.0758 163.7148 -267427.7842 -222052.8450 163.7148 -4363.1154 -2465.6375 921491.4634 -4363.1154 -2465.6375
ENERGY: 423 21418.8984 19324.4274 5689.6736 172.2145 -337416.8946 23180.6030 0.0000 0.0000 45183.9713 -222447.1064 164.3669 -267631.0777 -222051.5233 164.3669 -3955.8311 -2434.9308 921491.4634 -3955.8311 -2434.9308
ENERGY: 424 20531.3310 19270.7817 5692.6542 170.6563 -336406.2756 23140.4636 0.0000 0.0000 45151.0456 -222449.3432 164.2471 -267600.3888 -222060.4128 164.2471 -3030.1613 -2370.2036 921491.4634 -3030.1613 -2370.2036
ENERGY: 425 19942.3361 19314.5609 5697.3263 169.6876 -335607.5197 23103.7910 0.0000 0.0000 44956.0480 -222423.7698 163.5377 -267379.8178 -222050.7964 163.5377 -1980.9658 -2297.0093 921491.4634 -1980.9658 -2297.0093
ENERGY: 426 19603.3346 19432.3070 5702.4947 169.0990 -335270.6867 23080.2881 0.0000 0.0000 44862.7386 -222420.4247 163.1983 -267283.1633 -222049.1091 163.1983 -1125.8055 -2237.7218 921491.4634 -1125.8055 -2237.7218
ENERGY: 427 19598.5313 19595.2898 5707.1504 168.7509 -335498.4310 23074.4995 0.0000 0.0000 44915.2778 -222438.9311 163.3894 -267354.2090 -222048.7339 163.3894 -741.9012 -2207.6358 921491.4634 -741.9012 -2207.6358
ENERGY: 428 20140.4225 19760.4169 5710.4628 168.5259 -336199.9841 23087.7666 0.0000 0.0000 44884.2599 -222448.1296 163.2766 -267332.3894 -222058.0548 163.2766 -935.5734 -2206.9587 921491.4634 -935.5734 -2206.9587
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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 20024.3736 5712.1700 168.1897 -338096.9195 23149.4482 0.0000 0.0000 44626.3104 -222402.4405 162.3383 -267028.7509 -222047.3914 162.3383 -2472.2458 -2268.0468 921491.4634 -2472.2458 -2268.0468
ENERGY: 431 22204.1020 20111.4152 5711.2600 168.0704 -338644.7637 23172.3794 0.0000 0.0000 44858.4636 -222419.0731 163.1828 -267277.5367 -222048.7168 163.1828 -3116.2807 -2293.5594 921491.4634 -3116.2807 -2293.5594
ENERGY: 432 21768.3702 20188.6724 5710.3546 168.1086 -338651.2099 23176.0835 0.0000 0.0000 45177.9917 -222461.6289 164.3451 -267639.6205 -222065.9062 164.3451 -3350.2747 -2296.1502 921491.4634 -3350.2747 -2296.1502
ENERGY: 433 21200.9071 20275.9665 5710.3763 168.4633 -338164.0637 23162.2901 0.0000 0.0000 45192.9290 -222453.1314 164.3995 -267646.0604 -222052.5985 164.3995 -3187.3739 -2272.1281 921491.4634 -3187.3739 -2272.1281
ENERGY: 434 20730.3413 20338.1501 5711.6061 169.3247 -337394.2704 23140.7726 0.0000 0.0000 44883.1002 -222420.9755 163.2724 -267304.0756 -222051.1466 163.2724 -2694.3114 -2227.7890 921491.4634 -2694.3114 -2227.7890
ENERGY: 435 20235.2202 20362.4018 5714.0003 170.8455 -336680.6555 23123.4088 0.0000 0.0000 44675.9842 -222398.7947 162.5190 -267074.7789 -222049.5892 162.5190 -2061.3589 -2179.8956 921491.4634 -2061.3589 -2179.8956
ENERGY: 436 19670.9242 20349.9985 5717.2345 173.0864 -336303.8807 23119.9069 0.0000 0.0000 44847.0985 -222425.6316 163.1414 -267272.7302 -222059.6959 163.1414 -1520.6601 -2145.1619 921491.4634 -1520.6601 -2145.1619
ENERGY: 437 19434.5514 20329.5095 5720.9893 175.9827 -336411.9779 23136.3860 0.0000 0.0000 45159.2689 -222455.2900 164.2770 -267614.5589 -222050.7502 164.2770 -1319.1170 -2134.4850 921491.4634 -1319.1170 -2134.4850
ENERGY: 438 19935.1530 20278.6098 5724.6883 179.3849 -336899.4570 23173.5512 0.0000 0.0000 45148.1325 -222459.9373 164.2365 -267608.0698 -222051.5668 164.2365 -1493.0941 -2145.0882 921491.4634 -1493.0941 -2145.0882
ENERGY: 439 21052.7406 20184.4298 5727.7929 183.0561 -337561.7712 23224.7476 0.0000 0.0000 44760.8211 -222428.1832 162.8276 -267189.0043 -222052.7965 162.8276 -1936.1988 -2169.8748 921491.4634 -1936.1988 -2169.8748
TIMING: 440 CPU: 207.134, 0.459781/step Wall: 207.134, 0.459781/step, 0.00766302 hours remaining, 3224.226562 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: 440 22071.5683 20036.2372 5729.7527 186.7202 -338123.1801 23276.2480 0.0000 0.0000 44417.5458 -222405.1079 161.5788 -266822.6538 -222059.4773 161.5788 -2408.4612 -2197.9672 921491.4634 -2408.4612 -2197.9672
ENERGY: 441 22355.5485 19860.0409 5730.3487 190.1146 -338361.1711 23313.2040 0.0000 0.0000 44502.6964 -222409.2179 161.8886 -266911.9143 -222050.0860 161.8886 -2716.1027 -2221.5314 921491.4634 -2716.1027 -2221.5314
ENERGY: 442 21853.6117 19664.5349 5729.4854 192.9412 -338090.1529 23327.1564 0.0000 0.0000 44880.6319 -222441.7914 163.2634 -267322.4233 -222049.7756 163.2634 -2710.5576 -2229.0696 921491.4634 -2710.5576 -2229.0696
ENERGY: 443 21064.3316 19487.0722 5727.6164 194.9329 -337369.3147 23320.0155 0.0000 0.0000 45118.1106 -222457.2355 164.1273 -267575.3460 -222048.5996 164.1273 -2448.1650 -2220.3531 921491.4634 -2448.1650 -2220.3531
ENERGY: 444 20449.3365 19357.2689 5725.4095 195.8735 -336464.1917 23301.5273 0.0000 0.0000 44987.7175 -222447.0586 163.6530 -267434.7761 -222057.9796 163.6530 -2090.2101 -2206.4399 921491.4634 -2090.2101 -2206.4399
ENERGY: 445 20125.5609 19307.2517 5723.6513 195.6942 -335759.3910 23283.8136 0.0000 0.0000 44708.7153 -222414.7039 162.6380 -267123.4193 -222046.5426 162.6380 -1846.9627 -2201.6925 921491.4634 -1846.9627 -2201.6925
ENERGY: 446 19947.6805 19324.9005 5722.5429 194.3235 -335494.5705 23276.0449 0.0000 0.0000 44620.2946 -222408.7837 162.3164 -267029.0782 -222046.1618 162.3164 -1800.7518 -2216.7293 921491.4634 -1800.7518 -2216.7293
ENERGY: 447 19914.2847 19416.0209 5722.2107 191.8641 -335769.4398 23282.7456 0.0000 0.0000 44816.5090 -222425.8048 163.0301 -267242.3138 -222046.8341 163.0301 -1993.3112 -2253.0603 921491.4634 -1993.3112 -2253.0603
ENERGY: 448 20187.5920 19583.6799 5722.5764 188.5554 -336503.1803 23303.8903 0.0000 0.0000 45065.6677 -222451.2186 163.9365 -267516.8863 -222059.3481 163.9365 -2372.1878 -2303.7899 921491.4634 -2372.1878 -2303.7899
ENERGY: 449 20877.4059 19832.6985 5723.5712 184.8596 -337500.9076 23334.5922 0.0000 0.0000 45101.1681 -222446.6120 164.0657 -267547.7801 -222047.7100 164.0657 -2827.1080 -2356.1408 921491.4634 -2827.1080 -2356.1408
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4853 20108.1299 5724.4776 181.0897 -338419.3255 23364.6243 0.0000 0.0000 44854.3101 -222432.2087 163.1677 -267286.5188 -222048.7861 163.1677 -3116.6756 -2394.3897 921491.4634 -3116.6756 -2394.3897
ENERGY: 451 22355.5901 20357.7255 5724.7143 177.6517 -338952.0916 23381.8008 0.0000 0.0000 44542.6991 -222411.9101 162.0341 -266954.6092 -222048.8246 162.0341 -3074.2533 -2405.7798 921491.4634 -3074.2533 -2405.7798
ENERGY: 452 22246.2015 20536.0135 5723.8953 174.8859 -338927.1546 23378.0945 0.0000 0.0000 44452.9200 -222415.1440 161.7075 -266868.0640 -222059.6370 161.7075 -2659.9606 -2384.7568 921491.4634 -2659.9606 -2384.7568
ENERGY: 453 21399.8728 20641.1313 5722.2878 173.1350 -338392.7944 23354.5909 0.0000 0.0000 44683.7035 -222418.0730 162.5470 -267101.7765 -222043.5372 162.5470 -2048.3340 -2342.4668 921491.4634 -2048.3340 -2342.4668
ENERGY: 454 20248.3385 20654.1376 5720.2217 172.3637 -337567.1424 23320.6904 0.0000 0.0000 45008.1464 -222443.2442 163.7273 -267451.3906 -222041.8391 163.7273 -1453.4580 -2293.1450 921491.4634 -1453.4580 -2293.1450
ENERGY: 455 19486.7910 20584.7122 5718.4844 172.5169 -336790.6460 23290.4026 0.0000 0.0000 45086.5785 -222451.1603 164.0126 -267537.7389 -222040.8570 164.0126 -1151.8825 -2255.8571 921491.4634 -1151.8825 -2255.8571
ENERGY: 456 19493.3723 20440.6802 5717.7555 173.4248 -336350.1082 23274.9634 0.0000 0.0000 44811.4722 -222438.4397 163.0118 -267249.9119 -222055.3487 163.0118 -1305.5005 -2245.5823 921491.4634 -1305.5005 -2245.5823
ENERGY: 457 20047.4927 20251.9436 5718.5580 174.9241 -336395.8168 23277.8278 0.0000 0.0000 44521.8702 -222403.2004 161.9583 -266925.0705 -222049.4134 161.9583 -1906.4164 -2263.5012 921491.4634 -1906.4164 -2263.5012
ENERGY: 458 20585.8432 20019.2723 5720.7060 176.6081 -336835.0959 23294.7176 0.0000 0.0000 44632.7885 -222405.1600 162.3618 -267037.9485 -222051.2823 162.3618 -2684.6985 -2301.0426 921491.4634 -2684.6985 -2301.0426
ENERGY: 459 20903.4944 19784.9690 5724.0021 178.1985 -337468.1642 23318.6987 0.0000 0.0000 45113.9362 -222444.8654 164.1121 -267558.8016 -222053.1413 164.1121 -3350.5829 -2341.5795 921491.4634 -3350.5829 -2341.5795
TIMING: 460 CPU: 216.322, 0.459417/step Wall: 216.322, 0.459417/step, 0.00510463 hours remaining, 3224.226562 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: 460 21262.6138 19597.9063 5728.0971 179.4910 -338014.3765 23341.8006 0.0000 0.0000 45423.8560 -222480.6118 165.2395 -267904.4677 -222064.6837 165.2395 -3669.8200 -2365.2412 921491.4634 -3669.8200 -2365.2412
ENERGY: 461 21862.8762 19507.1075 5732.5752 180.4333 -338251.6214 23355.3940 0.0000 0.0000 45154.6132 -222458.6221 164.2601 -267613.2352 -222058.0508 164.2601 -3556.1665 -2361.1799 921491.4634 -3556.1665 -2361.1799
ENERGY: 462 22264.2255 19487.8109 5736.4822 180.9531 -337988.7168 23351.1091 0.0000 0.0000 44559.9285 -222408.2076 162.0968 -266968.1360 -222056.7215 162.0968 -2954.8200 -2323.4250 921491.4634 -2954.8200 -2323.4250
ENERGY: 463 21821.1792 19513.9015 5738.9361 181.1160 -337284.1027 23326.9482 0.0000 0.0000 44313.4564 -222388.5653 161.2002 -266702.0217 -222054.6243 161.2002 -2012.4425 -2264.0778 921491.4634 -2012.4425 -2264.0778
ENERGY: 464 20535.2462 19559.9271 5739.2518 181.0096 -336389.3838 23291.1947 0.0000 0.0000 44654.0260 -222428.7284 162.4391 -267082.7544 -222058.5729 162.4391 -1050.9228 -2205.5268 921491.4634 -1050.9228 -2205.5268
ENERGY: 465 19322.7828 19631.8852 5737.2898 180.7155 -335701.1532 23259.7396 0.0000 0.0000 45094.5683 -222474.1719 164.0416 -267568.7402 -222052.9388 164.0416 -512.3347 -2174.4008 921491.4634 -512.3347 -2174.4008
ENERGY: 466 19088.4509 19708.3579 5733.2107 180.2808 -335443.7724 23245.0609 0.0000 0.0000 45020.7905 -222467.6206 163.7733 -267488.4112 -222052.9785 163.7733 -630.3314 -2182.6710 921491.4634 -630.3314 -2182.6710
ENERGY: 467 19841.8068 19783.1740 5727.6703 179.7757 -335721.0950 23249.4535 0.0000 0.0000 44523.6664 -222415.5482 161.9649 -266939.2147 -222054.3495 161.9649 -1393.6029 -2232.5923 921491.4634 -1393.6029 -2232.5923
ENERGY: 468 20761.8480 19845.4940 5721.5089 179.2779 -336451.5668 23265.8131 0.0000 0.0000 44291.6585 -222385.9664 161.1209 -266677.6249 -222056.3591 161.1209 -2508.6712 -2314.1339 921491.4634 -2508.6712 -2314.1339
ENERGY: 469 21236.3015 19910.2020 5715.6824 178.8504 -337458.3206 23284.3967 0.0000 0.0000 44720.3203 -222412.5673 162.6802 -267132.8876 -222046.0751 162.6802 -3596.7404 -2405.7971 921491.4634 -3596.7404 -2405.7971
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1730 19972.8935 5710.9491 178.5947 -338383.2514 23297.0679 0.0000 0.0000 45346.4576 -222466.1157 164.9579 -267812.5733 -222047.6089 164.9579 -4259.6993 -2477.6830 921491.4634 -4259.6993 -2477.6830
ENERGY: 471 21732.8676 20054.6837 5707.9626 178.5890 -338913.2462 23297.5091 0.0000 0.0000 45471.3369 -222470.2971 165.4122 -267941.6340 -222047.5360 165.4122 -4290.5682 -2504.3175 921491.4634 -4290.5682 -2504.3175
ENERGY: 472 22081.2361 20161.5555 5707.0091 178.9047 -338870.6779 23279.4497 0.0000 0.0000 45028.5299 -222433.9929 163.8014 -267462.5228 -222059.5058 163.8014 -3659.7360 -2479.9183 921491.4634 -3659.7360 -2479.9183
ENERGY: 473 21866.1363 20289.3431 5707.9843 179.6165 -338307.7205 23240.7370 0.0000 0.0000 44634.5176 -222389.3858 162.3681 -267023.9034 -222043.8539 162.3681 -2556.3617 -2408.1657 921491.4634 -2556.3617 -2408.1657
ENERGY: 474 20842.9706 20372.0991 5710.2160 180.7466 -337438.4568 23189.2355 0.0000 0.0000 44733.2309 -222409.9581 162.7272 -267143.1889 -222041.2619 162.7272 -1295.5526 -2316.2728 921491.4634 -1295.5526 -2316.2728
ENERGY: 475 19674.2082 20371.7678 5712.9876 182.2512 -336604.2329 23142.3825 0.0000 0.0000 45070.2141 -222450.4216 163.9531 -267520.6357 -222039.4529 163.9531 -344.6450 -2232.2125 921491.4634 -344.6450 -2232.2125
ENERGY: 476 19235.7862 20282.0278 5715.7683 184.0125 -336100.0918 23115.8474 0.0000 0.0000 45106.0637 -222460.5859 164.0835 -267566.6497 -222053.6136 164.0835 -92.4048 -2183.0651 921491.4634 -92.4048 -2183.0651
ENERGY: 477 19704.7249 20145.9815 5718.4976 185.9230 -336101.8802 23114.2947 0.0000 0.0000 44812.3212 -222420.1372 163.0149 -267232.4585 -222044.8409 163.0149 -667.4943 -2171.8226 921491.4634 -667.4943 -2171.8226
ENERGY: 478 20493.4775 19974.7639 5721.0254 187.7262 -336537.4047 23131.2468 0.0000 0.0000 44627.0336 -222402.1312 162.3409 -267029.1648 -222047.4105 162.3409 -1807.1600 -2198.7954 921491.4634 -1807.1600 -2198.7954
ENERGY: 479 21125.3056 19793.3957 5723.3295 189.2099 -337215.5847 23156.6780 0.0000 0.0000 44802.1580 -222425.5080 162.9779 -267227.6661 -222050.5458 162.9779 -3089.8511 -2246.7915 921491.4634 -3089.8511 -2246.7915
TIMING: 480 CPU: 225.505, 0.459158/step Wall: 225.505, 0.459158/step, 0.00255088 hours remaining, 3224.226562 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: 480 21624.0325 19623.1965 5725.3111 190.1901 -337854.6793 23181.5126 0.0000 0.0000 45051.6816 -222458.7550 163.8856 -267510.4366 -222064.6209 163.8856 -4077.7323 -2291.4890 921491.4634 -4077.7323 -2291.4890
ENERGY: 481 22092.4852 19510.0433 5727.0952 190.6351 -338199.2487 23196.7967 0.0000 0.0000 45041.3369 -222440.8563 163.8480 -267482.1932 -222052.5266 163.8480 -4466.2391 -2305.6731 921491.4634 -4466.2391 -2305.6731
ENERGY: 482 22186.3468 19466.6793 5728.4963 190.3598 -338044.5425 23192.7483 0.0000 0.0000 44865.8520 -222414.0601 163.2096 -267279.9120 -222051.4113 163.2096 -4059.3096 -2278.0613 921491.4634 -4059.3096 -2278.0613
ENERGY: 483 21553.1415 19511.5743 5729.5660 189.3227 -337426.2192 23165.8749 0.0000 0.0000 44861.8969 -222414.8430 163.1953 -267276.7399 -222048.7672 163.1953 -2964.1721 -2216.4114 921491.4634 -2964.1721 -2216.4114
ENERGY: 484 20460.8928 19631.1936 5730.2465 187.5455 -336590.8887 23126.1359 0.0000 0.0000 45003.6032 -222451.2712 163.7107 -267454.8744 -222059.8737 163.7107 -1565.2423 -2143.1846 921491.4634 -1565.2423 -2143.1846
ENERGY: 485 19688.7723 19800.2987 5730.5256 185.2458 -335902.5869 23092.8478 0.0000 0.0000 44955.5726 -222449.3241 163.5360 -267404.8967 -222045.9601 163.5360 -422.1568 -2086.8733 921491.4634 -422.1568 -2086.8733
ENERGY: 486 19602.5428 19954.8171 5729.7197 182.4662 -335612.3570 23080.3815 0.0000 0.0000 44645.9119 -222416.5177 162.4096 -267062.4296 -222044.6756 162.4096 87.3183 -2070.0979 921491.4634 87.3183 -2070.0979
ENERGY: 487 19881.0925 20072.0209 5727.4347 179.4360 -335846.4484 23091.0552 0.0000 0.0000 44503.3496 -222392.0594 161.8910 -266895.4091 -222045.2402 161.8910 -192.2343 -2106.8837 921491.4634 -192.2343 -2106.8837
ENERGY: 488 20125.2098 20156.1359 5723.5441 176.4338 -336552.5458 23118.8624 0.0000 0.0000 44827.0560 -222425.3040 163.0685 -267252.3600 -222057.1937 163.0685 -1145.7531 -2194.6678 921491.4634 -1145.7531 -2194.6678
ENERGY: 489 20526.8870 20236.4608 5718.5748 173.8639 -337540.4662 23156.7317 0.0000 0.0000 45266.1007 -222461.8472 164.6656 -267727.9479 -222045.6085 164.6656 -2511.2402 -2316.7065 921491.4634 -2511.2402 -2316.7065
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7488 20292.9023 5712.8912 171.8438 -338458.1369 23196.4885 0.0000 0.0000 45213.5631 -222459.6992 164.4745 -267673.2624 -222048.2207 164.4745 -3823.4036 -2437.4153 921491.4634 -3823.4036 -2437.4153
ENERGY: 491 22430.4638 20312.1363 5707.3795 170.5404 -338984.5804 23226.0944 0.0000 0.0000 44733.0092 -222404.9567 162.7264 -267137.9659 -222049.4637 162.7264 -4629.6932 -2524.6213 921491.4634 -4629.6932 -2524.6213
ENERGY: 492 22612.9546 20289.6815 5702.9944 170.0208 -338937.5830 23232.7213 0.0000 0.0000 44542.1954 -222387.0151 162.0323 -266929.2105 -222060.3861 162.0323 -4606.8523 -2557.4728 921491.4634 -4606.8523 -2557.4728
ENERGY: 493 21558.2188 20260.7379 5700.7779 170.3201 -338358.0651 23214.0544 0.0000 0.0000 45033.8234 -222420.1327 163.8207 -267453.9560 -222046.5901 163.8207 -3796.3819 -2540.0995 921491.4634 -3796.3819 -2540.0995
ENERGY: 494 20068.3367 20225.0266 5700.9806 171.2193 -337454.3855 23183.0803 0.0000 0.0000 45622.2480 -222483.4940 165.9612 -268105.7420 -222044.0868 165.9612 -2500.8993 -2482.1068 921491.4634 -2500.8993 -2482.1068
ENERGY: 495 19383.2465 20186.8306 5703.5926 172.5416 -336566.9907 23159.4632 0.0000 0.0000 45484.1236 -222477.1926 165.4587 -267961.3162 -222041.5564 165.4587 -1249.6837 -2407.3055 921491.4634 -1249.6837 -2407.3055
ENERGY: 496 19722.4836 20130.6477 5708.0350 174.0933 -335998.7175 23154.2643 0.0000 0.0000 44699.5276 -222409.6659 162.6046 -267109.1935 -222049.0669 162.6046 -478.8997 -2343.4750 921491.4634 -478.8997 -2343.4750
ENERGY: 497 20212.6669 20059.9181 5713.4613 175.7242 -335952.5061 23166.3553 0.0000 0.0000 44261.0294 -222363.3509 161.0095 -266624.3803 -222042.7499 161.0095 -421.0231 -2316.7927 921491.4634 -421.0231 -2316.7927
ENERGY: 498 20182.0165 19957.1220 5718.5596 177.2604 -336366.4950 23189.3592 0.0000 0.0000 44728.2539 -222413.9232 162.7091 -267142.1771 -222044.5219 162.7091 -993.4677 -2331.6471 921491.4634 -993.4677 -2331.6471
ENERGY: 499 20158.0678 19847.7313 5722.4089 178.6361 -337058.4839 23219.2411 0.0000 0.0000 45439.2648 -222493.1338 165.2956 -267932.3986 -222047.2061 165.2956 -2020.8685 -2376.3389 921491.4634 -2020.8685 -2376.3389
Info: Benchmark time: 4 CPUs 0.458778 s/step 5.30994 days/ns 3224.23 MB memory
TIMING: 500 CPU: 234.617, 0.455596/step Wall: 234.617, 0.455596/step, 0 hours remaining, 3224.226562 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: 500 20974.8936 19756.6587 5724.4523 179.8271 -337741.4204 23251.1016 0.0000 0.0000 45359.0782 -222495.4089 165.0039 -267854.4871 -222061.0907 165.0039 -3197.5164 -2425.4139 921491.4634 -3197.5164 -2425.4139
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.875 MB of memory in use
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.875 MB of memory in use
====================================================
WallClock: 241.514572 CPUTime: 241.514572 Memory: 3229.875000 MB
[Partition 0][Node 0] End of program
Application 109957551 resources: utime ~950s, stime ~18s, Rss ~127696, inblocks ~67011, outblocks ~72240
Displaying status file:
verified
WALL=241.514572
CPU=241.514572
MEM=3229.875000
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins11830016152138889172.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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