Skipping 717 KB..
Full Log
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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 ============== 54.1393
LDB: Largest compute 200 load 0.430755 is 1.2% of average load 36.746636
LDB: Average compute 0.051471 is 0.1% of average load 36.746636
LDB: Partitioning computes with target load 3.674664
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.056096
LDB: ============== END OF LOAD BALANCING =============== 54.1413
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.1422
Info: Initial time: 4 CPUs 0.472813 s/step 5.47238 days/ns 3221.59 MB memory
TIMING: 100 CPU: 48.2516, 0.471821/step Wall: 48.2516, 0.471821/step, 0.0524246 hours remaining, 3221.585938 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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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 ============== 63.5581
LDB: ============== END OF LOAD BALANCING =============== 63.5582
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.5586
TIMING: 120 CPU: 57.6669, 0.470765/step Wall: 57.6669, 0.470765/step, 0.0496919 hours remaining, 3221.718750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 138 21874.8524 19195.4801 5730.8549 192.8766 -333203.4341 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8378 -222213.1815 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.0781, 0.470563/step Wall: 67.0781, 0.470563/step, 0.0470563 hours remaining, 3222.031250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 157 20043.0837 19943.2664 5753.0947 171.8900 -332363.0656 20715.7864 0.0000 0.0000 43325.6934 -222410.2509 157.6070 -265735.9443 -222155.5007 157.6070 -38.8544 -2554.7665 921491.4634 -38.8544 -2554.7665
ENERGY: 158 21695.0846 19425.3239 5743.5667 171.3409 -332829.8099 20761.5805 0.0000 0.0000 42713.6821 -222319.2314 155.3806 -265032.9134 -222157.3219 155.3806 -715.5935 -2586.7969 921491.4634 -715.5935 -2586.7969
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TIMING: 160 CPU: 76.479, 0.47004/step Wall: 76.479, 0.47004/step, 0.0443927 hours remaining, 3222.296875 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 21093.2842 18859.3047 5717.0749 174.4915 -333735.9154 20833.5471 0.0000 0.0000 44515.8596 -222542.3533 161.9365 -267058.2129 -222175.6786 161.9365 -3202.8705 -2752.7604 921491.4634 -3202.8705 -2752.7604
ENERGY: 161 21561.6001 18685.5961 5704.9782 178.2042 -333710.7597 20865.7132 0.0000 0.0000 44220.7113 -222493.9567 160.8628 -266714.6680 -222160.9738 160.8628 -4385.1101 -2823.4852 921491.4634 -4385.1101 -2823.4852
ENERGY: 162 22512.8124 18508.1494 5697.2826 183.0024 -333202.6497 20887.8856 0.0000 0.0000 43070.6067 -222342.9104 156.6790 -265413.5172 -222161.4906 156.6790 -5004.1554 -2859.8871 921491.4634 -5004.1554 -2859.8871
ENERGY: 163 21937.9851 18346.8658 5696.1509 188.4544 -332368.8225 20884.6195 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: 165 18074.0952 18343.8152 5716.1638 199.2019 -331183.0467 20849.6742 0.0000 0.0000 45425.8564 -222574.2400 165.2468 -268000.0963 -222153.1697 165.2468 -2737.5187 -2867.1447 921491.4634 -2737.5187 -2867.1447
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ENERGY: 167 21026.8306 19216.2868 5755.9248 205.8794 -332212.1860 20917.6388 0.0000 0.0000 42775.8062 -222313.8194 155.6066 -265089.6256 -222150.5297 155.6066 -1671.2499 -2889.5868 921491.4634 -1671.2499 -2889.5868
ENERGY: 168 21619.4180 19999.6890 5775.3367 206.4584 -333382.4925 20963.4338 0.0000 0.0000 42492.3350 -222325.8216 154.5754 -264818.1567 -222149.7707 154.5754 -1735.9904 -2933.5976 921491.4634 -1735.9904 -2933.5976
ENERGY: 169 20648.4664 20870.4069 5789.9166 204.9287 -334596.5068 20994.5723 0.0000 0.0000 43600.1909 -222488.0251 158.6055 -266088.2161 -222133.5315 158.6055 -2095.8775 -2988.7947 921491.4634 -2095.8775 -2988.7947
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 176 19195.1039 18891.7629 5743.5896 160.0071 -332124.2129 20943.2095 0.0000 0.0000 44722.5120 -222468.0279 162.6882 -267190.5399 -222127.3370 162.6882 -2658.3222 -2727.5044 921491.4634 -2658.3222 -2727.5044
ENERGY: 177 21863.3195 18664.1736 5738.9484 156.2659 -332371.2413 20981.6518 0.0000 0.0000 42714.2624 -222252.6196 155.3827 -264966.8821 -222125.5137 155.3827 -2870.6846 -2681.8089 921491.4634 -2870.6846 -2681.8089
ENERGY: 178 21917.7898 18733.9560 5737.6245 154.5770 -332975.2976 21015.2133 0.0000 0.0000 43101.1544 -222314.9825 156.7902 -265416.1370 -222126.1322 156.7902 -2936.2256 -2665.7683 921491.4634 -2936.2256 -2665.7683
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TIMING: 180 CPU: 85.868, 0.469453/step Wall: 85.868, 0.469453/step, 0.0417292 hours remaining, 3222.296875 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 19424.9916 5710.5469 174.1844 -332181.9083 21042.4479 0.0000 0.0000 44880.5527 -222572.3092 163.2631 -267452.8619 -222144.6143 163.2631 -1576.6177 -2645.2274 921491.4634 -1576.6177 -2645.2274
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ENERGY: 186 19266.0407 19234.9571 5686.4352 181.9571 -332240.0940 21043.7459 0.0000 0.0000 44391.5886 -222435.3693 161.4844 -266826.9579 -222129.2889 161.4844 -2596.4734 -2731.4264 921491.4634 -2596.4734 -2731.4264
ENERGY: 187 22073.2968 19471.4303 5678.7398 184.6336 -333156.1128 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 -334382.7610 21093.9044 0.0000 0.0000 43113.1615 -222325.4727 156.8338 -265438.6342 -222135.3909 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 19594.9320 5717.4229 183.5644 -332319.6951 21082.8578 0.0000 0.0000 43603.6154 -222381.4362 158.6180 -265985.0516 -222096.3128 158.6180 -1480.5941 -2574.8092 921491.4634 -1480.5941 -2574.8092
ENERGY: 197 21700.3671 19122.7580 5714.1451 184.7200 -332668.2731 21129.4587 0.0000 0.0000 42574.3654 -222242.4588 154.8738 -264816.8241 -222086.7180 154.8738 -3040.7438 -2596.5494 921491.4634 -3040.7438 -2596.5494
ENERGY: 198 21224.0060 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
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LDB: ============= START OF LOAD BALANCING ============== 101.148
LDB: Largest compute 200 load 0.425731 is 1.2% of average load 36.565981
LDB: Average compute 0.051211 is 0.1% of average load 36.565981
LDB: TIME 101.15 LOAD: AVG 36.566 MAX 37.5898 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.69 MB
LDB: TIME 101.152 LOAD: AVG 36.566 MAX 37.4784 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.69 MB
LDB: ============== END OF LOAD BALANCING =============== 101.154
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.157
Info: Initial time: 4 CPUs 0.470006 s/step 5.43988 days/ns 3223.13 MB memory
TIMING: 200 CPU: 95.2618, 0.469689/step Wall: 95.2618, 0.469689/step, 0.0391407 hours remaining, 3223.132812 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 18595.6350 5711.8747 190.0258 -334670.2809 21209.9247 0.0000 0.0000 45319.1600 -222569.9772 164.8586 -267889.1372 -222114.5245 164.8586 -5241.8523 -2703.6813 921491.4634 -5241.8523 -2703.6813
ENERGY: 201 23380.1028 18674.3334 5716.2802 191.4188 -334751.7130 21239.1340 0.0000 0.0000 43222.4695 -222327.9743 157.2315 -265550.4437 -222100.1079 157.2315 -4546.2003 -2661.1900 921491.4634 -4546.2003 -2661.1900
ENERGY: 202 23622.8116 18850.8451 5722.5980 192.1474 -334305.3006 21243.2751 0.0000 0.0000 42432.5588 -222241.0647 154.3580 -264673.6235 -222096.8291 154.3580 -3005.0518 -2588.0014 921491.4634 -3005.0518 -2588.0014
ENERGY: 203 20743.8945 19130.0391 5729.2400 192.0764 -333501.9374 21215.8253 0.0000 0.0000 44059.6986 -222431.1634 160.2771 -266490.8621 -222093.6427 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6125 19486.9557 5734.1463 191.2124 -332722.2202 21188.8402 0.0000 0.0000 45629.4719 -222628.9811 165.9875 -268258.4530 -222116.7003 165.9875 452.9931 -2462.2929 921491.4634 452.9931 -2462.2929
ENERGY: 205 18189.0792 19868.9415 5735.7153 189.6741 -332398.2553 21197.9185 0.0000 0.0000 44690.7148 -222526.2118 162.5725 -267216.9266 -222099.8062 162.5725 731.8533 -2447.6353 921491.4634 731.8533 -2447.6353
ENERGY: 206 20668.8903 20170.9986 5732.9811 187.6404 -332716.3435 21241.8390 0.0000 0.0000 42439.0583 -222274.9357 154.3816 -264713.9941 -222100.3398 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 42143.6913 -222226.4460 153.3072 -264370.1373 -222103.0933 153.3072 -1896.3478 -2585.9683 921491.4634 -1896.3478 -2585.9683
ENERGY: 208 20293.2701 20371.8903 5718.1572 182.8654 -334789.2376 21322.2409 0.0000 0.0000 44428.6270 -222472.1867 161.6191 -266900.8137 -222122.6316 161.6191 -3669.0641 -2719.7952 921491.4634 -3669.0641 -2719.7952
ENERGY: 209 19428.8169 20325.0058 5710.3389 180.5135 -335910.2411 21349.5043 0.0000 0.0000 46273.6800 -222642.3817 168.3309 -268916.0618 -222106.7902 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 20194.2567 5705.3139 178.4614 -336615.7765 21385.1095 0.0000 0.0000 45251.4334 -222516.0283 164.6123 -267767.4617 -222108.2018 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -2896.2627
ENERGY: 211 24099.1927 19985.8630 5704.9373 176.9105 -336667.8925 21415.1476 0.0000 0.0000 43031.7284 -222254.1130 156.5376 -265285.8415 -222106.8543 156.5376 -5900.2977 -2885.1010 921491.4634 -5900.2977 -2885.1010
ENERGY: 212 23739.2709 19730.8221 5710.0295 176.0352 -336013.6224 21412.5982 0.0000 0.0000 42995.1638 -222249.7027 156.4046 -265244.8665 -222104.2320 156.4046 -4424.1003 -2820.3211 921491.4634 -4424.1003 -2820.3211
ENERGY: 213 20150.2160 19524.5248 5720.1722 175.9508 -334874.6442 21380.5551 0.0000 0.0000 45418.7805 -222504.4448 165.2210 -267923.2253 -222097.3836 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
ENERGY: 214 17315.5530 19421.7448 5733.3059 176.6827 -333645.3935 21358.4484 0.0000 0.0000 46958.4701 -222681.1886 170.8220 -269639.6587 -222093.7408 170.8220 -143.6687 -2626.0578 921491.4634 -143.6687 -2626.0578
ENERGY: 215 18210.5056 19441.9743 5746.5772 178.1492 -332787.3321 21379.5595 0.0000 0.0000 45302.6744 -222527.8918 164.7987 -267830.5662 -222091.0448 164.7987 784.0013 -2554.0368 921491.4634 784.0013 -2554.0368
ENERGY: 216 20973.4718 19522.5062 5756.9571 180.1770 -332560.1061 21436.4835 0.0000 0.0000 42442.1786 -222248.3320 154.3930 -264690.5105 -222073.6158 154.3930 420.9901 -2541.5429 921491.4634 420.9901 -2541.5429
ENERGY: 217 21778.3867 19581.4821 5762.2416 182.5517 -333010.6758 21497.2705 0.0000 0.0000 41983.6748 -222225.0684 152.7251 -264208.7433 -222064.4466 152.7251 -882.1699 -2598.7244 921491.4634 -882.1699 -2598.7244
ENERGY: 218 20165.9156 19540.0892 5761.2415 184.9927 -333856.1147 21546.6560 0.0000 0.0000 44178.6835 -222478.5362 160.7099 -266657.2197 -222068.8157 160.7099 -2628.0652 -2703.9747 921491.4634 -2628.0652 -2703.9747
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TIMING: 220 CPU: 104.665, 0.470168/step Wall: 104.665, 0.470168/step, 0.0365686 hours remaining, 3223.132812 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: 114.062, 0.469858/step Wall: 114.062, 0.469858/step, 0.0339342 hours remaining, 3223.132812 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: 243 19462.3621 19969.6446 5749.3614 168.8705 -335233.7066 21770.4746 0.0000 0.0000 45537.0688 -222575.9246 165.6513 -268112.9934 -222061.6674 165.6513 -3760.4506 -2614.6992 921491.4634 -3760.4506 -2614.6992
ENERGY: 244 18822.2465 19849.3934 5737.4544 169.6534 -334482.6008 21720.5674 0.0000 0.0000 45629.1661 -222554.1195 165.9864 -268183.2856 -222078.7771 165.9864 -2667.7299 -2573.2150 921491.4634 -2667.7299 -2573.2150
ENERGY: 245 20148.2369 19811.7599 5725.7785 171.4559 -334087.5944 21701.2468 0.0000 0.0000 44168.5246 -222360.5918 160.6730 -266529.1164 -222068.6366 160.6730 -1771.6901 -2533.5455 921491.4634 -1771.6901 -2533.5455
ENERGY: 246 20878.5481 19853.7024 5716.8932 174.1558 -334213.1203 21705.0849 0.0000 0.0000 43600.4181 -222284.3179 158.6063 -265884.7359 -222067.4296 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5286 19979.6439 5712.7400 177.5412 -334802.1839 21719.8453 0.0000 0.0000 44912.1911 -222431.6938 163.3782 -267343.8849 -222068.1395 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4924 20164.4295 5713.8450 181.3144 -335623.1350 21746.4309 0.0000 0.0000 46185.9361 -222595.6867 168.0117 -268781.6228 -222090.3128 168.0117 -1359.1246 -2608.3066 921491.4634 -1359.1246 -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 21994.9041 20013.1598 5733.2541 193.8023 -336093.2675 21826.9293 0.0000 0.0000 43905.3719 -222425.8459 159.7157 -266331.2178 -222091.3308 159.7157 -3843.4682 -2758.0339 921491.4634 -3843.4682 -2758.0339
ENERGY: 253 19499.8637 19667.1121 5729.5496 195.2411 -334977.1806 21784.0534 0.0000 0.0000 45520.0191 -222581.3415 165.5893 -268101.3606 -222082.7208 165.5893 -3300.1274 -2735.8132 921491.4634 -3300.1274 -2735.8132
ENERGY: 254 19073.0882 19348.2295 5720.5008 195.9622 -333839.8797 21752.6522 0.0000 0.0000 45220.9194 -222528.5274 164.5013 -267749.4469 -222080.4689 164.5013 -2707.1338 -2696.1701 921491.4634 -2707.1338 -2696.1701
ENERGY: 255 20324.2312 19109.4101 5707.6062 196.0621 -333099.9232 21746.1513 0.0000 0.0000 43667.4211 -222349.0413 158.8501 -266016.4624 -222078.3978 158.8501 -2282.5425 -2662.7815 921491.4634 -2282.5425 -2662.7815
ENERGY: 256 20899.4409 18950.9578 5693.4518 195.6570 -332975.5969 21757.6845 0.0000 0.0000 43181.1611 -222297.2437 157.0812 -265478.4048 -222071.2739 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5652 18878.1873 5681.1759 194.7976 -333481.0035 21780.2417 0.0000 0.0000 44488.5468 -222428.4890 161.8371 -266917.0358 -222060.1683 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5865 18882.0666 5673.2911 193.6684 -334373.1540 21817.5075 0.0000 0.0000 45796.2578 -222556.7761 166.5942 -268353.0339 -222062.0607 166.5942 -2331.2327 -2737.1920 921491.4634 -2331.2327 -2737.1920
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TIMING: 260 CPU: 123.451, 0.469446/step Wall: 123.451, 0.469446/step, 0.0312964 hours remaining, 3223.531250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 262 21606.2724 19814.6777 5694.0656 188.7122 -336291.7858 21947.6072 0.0000 0.0000 44601.6346 -222438.8161 162.2485 -267040.4507 -222052.4324 162.2485 -3214.7561 -2810.4637 921491.4634 -3214.7561 -2810.4637
ENERGY: 263 19781.1229 20140.5622 5703.8103 187.9445 -335614.9712 21924.4738 0.0000 0.0000 45349.7771 -222527.2805 164.9700 -267877.0576 -222051.1548 164.9700 -2647.8116 -2773.3903 921491.4634 -2647.8116 -2773.3903
ENERGY: 264 19385.2261 20436.4305 5710.6950 187.5052 -334855.9511 21907.7770 0.0000 0.0000 44751.4784 -222476.8390 162.7936 -267228.3174 -222069.1984 162.7936 -2191.1928 -2723.5294 921491.4634 -2191.1928 -2723.5294
ENERGY: 265 19946.8416 20681.9924 5713.6241 187.4392 -334395.6631 21906.0161 0.0000 0.0000 43607.6374 -222352.1121 158.6326 -265959.7496 -222054.3372 158.6326 -2038.0574 -2683.6035 921491.4634 -2038.0574 -2683.6035
ENERGY: 266 20048.7899 20788.8699 5712.1327 187.6137 -334399.4574 21914.4802 0.0000 0.0000 43399.3797 -222348.1913 157.8750 -265747.5709 -222054.3635 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0905 20691.2677 5707.0583 187.8501 -334831.4852 21930.8371 0.0000 0.0000 44220.2169 -222446.1646 160.8610 -266666.3815 -222055.6585 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9159 20375.7514 5700.1930 187.9286 -335513.7446 21959.1255 0.0000 0.0000 44823.5377 -222504.2925 163.0557 -267327.8303 -222075.9876 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 19450.9166 5690.3173 187.1618 -336650.6772 22028.8068 0.0000 0.0000 44308.0075 -222365.2739 161.1804 -266673.2814 -222067.0435 161.1804 -3583.3635 -2617.7584 921491.4634 -3583.3635 -2617.7584
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ENERGY: 272 21021.5585 18896.0661 5692.8269 184.9335 -335921.4612 22015.0577 0.0000 0.0000 45607.7076 -222503.3109 165.9083 -268111.0185 -222081.1571 165.9083 -2551.9686 -2501.8805 921491.4634 -2551.9686 -2501.8805
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7009 21985.5293 0.0000 0.0000 45502.7161 -222499.9694 165.5264 -268002.6856 -222069.0458 165.5264 -1837.1977 -2434.6761 921491.4634 -1837.1977 -2434.6761
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ENERGY: 276 19401.8501 19594.7508 5701.2547 182.4904 -333292.1279 21971.0406 0.0000 0.0000 44028.5271 -222412.2142 160.1637 -266440.7413 -222072.9396 160.1637 -1580.1300 -2417.6041 921491.4634 -1580.1300 -2417.6041
ENERGY: 277 19149.2971 19724.7161 5695.5210 182.9396 -333864.3452 21997.2384 0.0000 0.0000 44632.8111 -222481.8219 162.3619 -267114.6331 -222061.0989 162.3619 -2311.7544 -2498.0546 921491.4634 -2311.7544 -2498.0546
ENERGY: 278 20199.4575 19713.7761 5686.9122 183.6585 -334821.1002 22041.3356 0.0000 0.0000 44532.2541 -222463.7063 161.9961 -266995.9604 -222063.4133 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
ENERGY: 279 21984.3648 19593.9432 5677.5176 184.5187 -335888.5801 22096.4196 0.0000 0.0000 43975.0881 -222376.7281 159.9693 -266351.8162 -222065.2025 159.9693 -4044.3213 -2682.8390 921491.4634 -4044.3213 -2682.8390
TIMING: 280 CPU: 132.822, 0.468529/step Wall: 132.822, 0.468529/step, 0.0286324 hours remaining, 3223.531250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 282 20943.7900 19615.5379 5669.9796 186.8360 -336942.5033 22176.7651 0.0000 0.0000 45823.3372 -222526.2575 166.6927 -268349.5947 -222063.3313 166.6927 -2992.3274 -2779.3669 921491.4634 -2992.3274 -2779.3669
ENERGY: 283 20432.1061 19966.6615 5678.8138 187.1634 -336251.9199 22171.0645 0.0000 0.0000 45328.8523 -222487.2584 164.8939 -267816.1107 -222060.8457 164.8939 -2008.7738 -2748.2307 921491.4634 -2008.7738 -2748.2307
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ENERGY: 286 19396.6309 20966.5622 5721.5032 185.8229 -334658.1148 22176.6860 0.0000 0.0000 43785.6884 -222425.2213 159.2803 -266210.9096 -222054.0583 159.2803 -1306.7502 -2717.2848 921491.4634 -1306.7502 -2717.2848
ENERGY: 287 19176.1190 20856.7822 5731.9346 184.4714 -334918.1479 22200.2907 0.0000 0.0000 44282.9440 -222485.6059 161.0892 -266768.5499 -222055.7254 161.0892 -2148.9612 -2753.3345 921491.4634 -2148.9612 -2753.3345
ENERGY: 288 20263.2087 20475.2851 5736.9558 182.7335 -335468.3147 22237.9034 0.0000 0.0000 44116.9906 -222455.2376 160.4855 -266572.2282 -222066.9054 160.4855 -3310.5879 -2790.1554 921491.4634 -3310.5879 -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 ============== 148.1
LDB: Largest compute 200 load 0.521173 is 1.1% of average load 45.667963
LDB: Average compute 0.063967 is 0.1% of average load 45.667963
LDB: TIME 148.102 LOAD: AVG 45.668 MAX 46.9423 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.95 MB
LDB: TIME 148.102 LOAD: AVG 45.668 MAX 46.9423 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3223.95 MB
LDB: TIME 148.117 LOAD: AVG 45.668 MAX 46.1876 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3223.95 MB
LDB: ============== END OF LOAD BALANCING =============== 148.118
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.119
Info: Initial time: 4 CPUs 0.469127 s/step 5.42971 days/ns 3223.95 MB memory
TIMING: 300 CPU: 142.195, 0.468636/step Wall: 142.195, 0.468636/step, 0.0260353 hours remaining, 3223.953125 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 302 21723.0647 20395.7906 5720.2599 184.8676 -337483.0151 22416.9289 0.0000 0.0000 44599.2671 -222442.8362 162.2399 -267042.1034 -222057.3401 162.2399 -3958.8650 -2554.2736 921491.4634 -3958.8650 -2554.2736
ENERGY: 303 21512.5328 20430.0799 5712.5286 185.2198 -336784.9549 22409.2046 0.0000 0.0000 44154.6912 -222380.6981 160.6226 -266535.3892 -222054.2090 160.6226 -2717.2719 -2487.9822 921491.4634 -2717.2719 -2487.9822
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 320 CPU: 151.405, 0.460508/step Wall: 151.405, 0.460508/step, 0.0230254 hours remaining, 3223.953125 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: 328 20934.1978 19092.0093 5666.7484 187.7399 -335303.4709 22549.7450 0.0000 0.0000 44493.2354 -222379.7951 161.8542 -266873.0305 -222061.7262 161.8542 -1393.2039 -2547.3519 921491.4634 -1393.2039 -2547.3519
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 338 21007.5745 19722.4643 5687.5590 179.5437 -335808.8618 22564.1942 0.0000 0.0000 44285.9171 -222361.6089 161.1000 -266647.5260 -222041.5959 161.1000 -1500.9499 -2462.8576 921491.4634 -1500.9499 -2462.8576
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TIMING: 340 CPU: 160.608, 0.460168/step Wall: 160.608, 0.460168/step, 0.0204519 hours remaining, 3223.953125 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: 350 21009.3452 19066.8676 5675.7227 182.5405 -336836.8356 22661.9750 0.0000 0.0000 45710.0739 -222530.3107 166.2807 -268240.3846 -222058.0878 166.2807 -2896.5510 -2326.8868 921491.4634 -2896.5510 -2326.8868
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TIMING: 360 CPU: 169.802, 0.459698/step Wall: 169.802, 0.459698/step, 0.0178772 hours remaining, 3223.953125 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 21112.5812 20418.0332 5690.9152 182.1442 -338077.5501 22797.1672 0.0000 0.0000 45362.4569 -222514.2523 165.0162 -267876.7091 -222065.3875 165.0162 -3505.9503 -2622.8572 921491.4634 -3505.9503 -2622.8572
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ENERGY: 362 22808.6000 20031.2789 5688.3204 181.6679 -338079.7605 22835.7521 0.0000 0.0000 44200.9552 -222333.1860 160.7909 -266534.1413 -222051.2756 160.7909 -3087.0695 -2583.1905 921491.4634 -3087.0695 -2583.1905
ENERGY: 363 21303.6019 19794.1188 5692.1162 181.3427 -337235.0083 22818.0647 0.0000 0.0000 45033.6627 -222412.1014 163.8201 -267445.7640 -222049.5299 163.8201 -2242.6818 -2529.7064 921491.4634 -2242.6818 -2529.7064
ENERGY: 364 19323.8975 19612.6016 5699.8913 181.0103 -336175.1997 22790.5189 0.0000 0.0000 46034.3487 -222532.9314 167.4603 -268567.2801 -222068.5919 167.4603 -1420.0426 -2476.3757 921491.4634 -1420.0426 -2476.3757
ENERGY: 365 18830.5840 19548.3423 5710.7559 180.6857 -335316.0969 22775.7827 0.0000 0.0000 45760.0885 -222509.8578 166.4626 -268269.9463 -222057.4404 166.4626 -1100.2608 -2433.4823 921491.4634 -1100.2608 -2433.4823
ENERGY: 366 19854.2639 19578.5652 5722.5903 180.3919 -334923.1929 22780.3499 0.0000 0.0000 44422.2469 -222384.7850 161.5959 -266807.0319 -222057.2778 161.5959 -1392.6927 -2417.6863 921491.4634 -1392.6927 -2417.6863
ENERGY: 367 20741.0596 19662.8838 5732.9484 180.1165 -335098.3159 22794.3491 0.0000 0.0000 43662.6183 -222324.3402 158.8326 -265986.9585 -222058.3715 158.8326 -2104.1274 -2437.9269 921491.4634 -2104.1274 -2437.9269
ENERGY: 368 20561.5937 19748.2123 5739.6691 179.8275 -335728.0873 22808.6650 0.0000 0.0000 44272.8406 -222417.2791 161.0524 -266690.1197 -222068.2910 161.0524 -2928.4886 -2487.3070 921491.4634 -2928.4886 -2487.3070
ENERGY: 369 20346.9678 19812.6209 5741.6370 179.5048 -336580.3307 22825.3357 0.0000 0.0000 45155.6308 -222518.6338 164.2638 -267674.2646 -222061.0999 164.2638 -3666.9889 -2542.4573 921491.4634 -3666.9889 -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 21302.3705 19815.7285 5738.6028 179.1429 -337296.0553 22846.3048 0.0000 0.0000 44920.4944 -222493.4114 163.4084 -267413.9058 -222062.2623 163.4084 -4081.4434 -2576.8189 921491.4634 -4081.4434 -2576.8189
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ENERGY: 372 22964.3595 19665.2852 5722.4284 178.5955 -337391.7871 22854.0836 0.0000 0.0000 43672.6557 -222334.3792 158.8691 -266007.0349 -222060.3195 158.8691 -3189.3380 -2552.6173 921491.4634 -3189.3380 -2552.6173
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ENERGY: 374 19285.9366 19613.0722 5706.5680 179.1985 -336019.1236 22785.5048 0.0000 0.0000 45912.3280 -222536.5155 167.0164 -268448.8435 -222048.2690 167.0164 -983.4306 -2469.0310 921491.4634 -983.4306 -2469.0310
ENERGY: 375 18893.7030 19735.2396 5703.0316 180.0533 -335443.7688 22766.6833 0.0000 0.0000 45660.9720 -222504.0860 166.1021 -268165.0580 -222047.0943 166.1021 -539.4862 -2439.8661 921491.4634 -539.4862 -2439.8661
ENERGY: 376 19884.0274 19962.1765 5703.2011 181.1433 -335321.8634 22772.8701 0.0000 0.0000 44434.3275 -222384.1176 161.6399 -266818.4451 -222050.5530 161.6399 -874.6223 -2439.6903 921491.4634 -874.6223 -2439.6903
ENERGY: 377 20646.4609 20251.1594 5706.5522 182.3248 -335763.5804 22794.3774 0.0000 0.0000 43848.2754 -222334.4303 159.5080 -266182.7058 -222041.4014 159.5080 -1819.5858 -2472.4986 921491.4634 -1819.5858 -2472.4986
ENERGY: 378 20473.8099 20495.6595 5711.4639 183.2952 -336584.2280 22821.5837 0.0000 0.0000 44474.7537 -222423.6622 161.7869 -266898.4158 -222044.3968 161.7869 -2972.9872 -2523.3498 921491.4634 -2972.9872 -2523.3498
ENERGY: 379 20419.4576 20623.8791 5716.2160 183.8420 -337495.6097 22854.5154 0.0000 0.0000 45185.6413 -222512.0583 164.3729 -267697.6996 -222047.0130 164.3729 -3997.4170 -2563.3072 921491.4634 -3997.4170 -2563.3072
TIMING: 380 CPU: 178.992, 0.459489/step Wall: 178.992, 0.459489/step, 0.0153163 hours remaining, 3223.953125 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: 380 21458.1131 20605.4120 5719.3306 183.8284 -338176.3453 22892.6530 0.0000 0.0000 44833.7900 -222483.2182 163.0930 -267317.0082 -222063.6481 163.0930 -4580.2700 -2564.2101 921491.4634 -4580.2700 -2564.2101
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ENERGY: 382 22844.1902 20220.4986 5718.3197 182.2157 -338010.6534 22930.5475 0.0000 0.0000 43766.5296 -222348.3520 159.2106 -266114.8816 -222051.0364 159.2106 -3524.7148 -2418.5487 921491.4634 -3524.7148 -2418.5487
ENERGY: 383 21263.6991 19910.9247 5714.6670 180.7420 -337128.0228 22911.2847 0.0000 0.0000 44707.9441 -222438.7612 162.6352 -267146.7053 -222048.1881 162.6352 -2023.0802 -2294.0131 921491.4634 -2023.0802 -2294.0131
ENERGY: 384 19625.4113 19596.0355 5710.5349 179.0647 -336052.0487 22884.2536 0.0000 0.0000 45539.1828 -222517.5658 165.6590 -268056.7486 -222062.0926 165.6590 -569.2379 -2166.9356 921491.4634 -569.2379 -2166.9356
ENERGY: 385 19327.8182 19356.8913 5707.7752 177.4354 -335210.6401 22871.6146 0.0000 0.0000 45299.7165 -222469.3889 164.7879 -267769.1055 -222051.0993 164.7879 215.3515 -2064.3634 921491.4634 215.3515 -2064.3634
ENERGY: 386 19981.2273 19220.9465 5707.6638 175.9384 -334865.1818 22880.7960 0.0000 0.0000 44519.8582 -222378.7516 161.9510 -266898.6097 -222051.0437 161.9510 122.6670 -2011.2426 921491.4634 122.6670 -2011.2426
ENERGY: 387 20367.2859 19202.4844 5710.9355 174.6759 -335109.8727 22905.2747 0.0000 0.0000 44377.1813 -222372.0349 161.4320 -266749.2163 -222053.0050 161.4320 -738.9583 -2019.1687 921491.4634 -738.9583 -2019.1687
ENERGY: 388 20282.3985 19280.0167 5717.2935 173.7038 -335824.1521 22938.2903 0.0000 0.0000 44972.7759 -222459.6733 163.5986 -267432.4493 -222067.4819 163.5986 -2063.8552 -2076.2820 921491.4634 -2063.8552 -2076.2820
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 390 21929.5051 19598.7448 5733.9032 172.7580 -337596.2516 23021.3366 0.0000 0.0000 44698.9834 -222441.0204 162.6026 -267140.0038 -222061.4797 162.6026 -4540.4921 -2229.7773 921491.4634 -4540.4921 -2229.7773
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ENERGY: 397 19906.7784 20200.7711 5721.4919 176.2273 -336102.8182 22990.0378 0.0000 0.0000 44712.8679 -222394.6440 162.6531 -267107.5119 -222042.6598 162.6531 -376.0862 -2327.2101 921491.4634 -376.0862 -2327.2101
ENERGY: 398 19692.8116 20133.3592 5716.9814 176.0456 -336812.3385 23014.0588 0.0000 0.0000 45592.7326 -222486.3495 165.8538 -268079.0820 -222045.7221 165.8538 -1710.2236 -2443.6964 921491.4634 -1710.2236 -2443.6964
ENERGY: 399 20395.5109 20061.2891 5714.6367 175.4775 -337634.0290 23050.4589 0.0000 0.0000 45731.2029 -222505.4530 166.3575 -268236.6559 -222049.1601 166.3575 -3349.4391 -2564.3619 921491.4634 -3349.4391 -2564.3619
LDB: ============= START OF LOAD BALANCING ============== 194.106
LDB: Largest compute 230 load 0.527753 is 1.2% of average load 45.570434
LDB: Average compute 0.063814 is 0.1% of average load 45.570434
LDB: TIME 194.108 LOAD: AVG 45.5704 MAX 45.9866 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.95 MB
LDB: TIME 194.108 LOAD: AVG 45.5704 MAX 45.9866 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3223.95 MB
LDB: TIME 194.108 LOAD: AVG 45.5704 MAX 45.9866 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3223.95 MB
LDB: ============== END OF LOAD BALANCING =============== 194.109
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.11
Info: Benchmark time: 4 CPUs 0.459802 s/step 5.32178 days/ns 3223.95 MB memory
TIMING: 400 CPU: 188.179, 0.459338/step Wall: 188.179, 0.459338/step, 0.0127594 hours remaining, 3223.953125 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 21983.9558 19981.4883 5714.2278 174.7230 -338264.6733 23090.3530 0.0000 0.0000 44890.2683 -222429.6572 163.2985 -267319.9255 -222060.6833 163.2985 -4748.6077 -2656.9998 921491.4634 -4748.6077 -2656.9998
ENERGY: 401 23053.7072 19909.1479 5715.0562 174.0724 -338477.1028 23114.9568 0.0000 0.0000 44157.6678 -222352.4945 160.6335 -266510.1623 -222050.1991 160.6335 -5384.8815 -2700.1794 921491.4634 -5384.8815 -2700.1794
ENERGY: 402 22444.0478 19835.9111 5715.8942 173.8391 -338107.6291 23109.6379 0.0000 0.0000 44436.8099 -222391.4892 161.6489 -266828.2990 -222049.2227 161.6489 -4939.3795 -2681.7025 921491.4634 -4939.3795 -2681.7025
ENERGY: 403 20784.9694 19778.4830 5715.7218 174.2695 -337239.9788 23077.8403 0.0000 0.0000 45225.5962 -222483.0986 164.5183 -267708.6948 -222046.6856 164.5183 -3613.5979 -2605.7429 921491.4634 -3613.5979 -2605.7429
ENERGY: 404 19687.5955 19735.4030 5713.8114 175.5084 -336169.1142 23038.2901 0.0000 0.0000 45313.8391 -222504.6668 164.8393 -267818.5059 -222060.2370 164.8393 -1967.0748 -2494.0439 921491.4634 -1967.0748 -2494.0439
ENERGY: 405 19798.8803 19696.7726 5710.0281 177.6162 -335317.9349 23008.3948 0.0000 0.0000 44511.4433 -222414.7997 161.9204 -266926.2429 -222047.5589 161.9204 -627.4749 -2380.7863 921491.4634 -627.4749 -2380.7863
ENERGY: 406 20210.3504 19614.0443 5704.4965 180.4779 -334953.8238 22994.4763 0.0000 0.0000 43902.7664 -222347.2120 159.7062 -266249.9784 -222046.2403 159.7062 66.0352 -2300.4796 921491.4634 66.0352 -2300.4796
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ENERGY: 408 19735.8469 19387.6643 5692.2152 187.5226 -335902.8218 23017.8174 0.0000 0.0000 45394.4123 -222487.3432 165.1324 -267881.7555 -222063.5311 165.1324 -920.8281 -2294.1556 921491.4634 -920.8281 -2294.1556
ENERGY: 409 20350.1188 19376.4606 5688.4775 191.1593 -336896.6846 23057.9922 0.0000 0.0000 45733.6058 -222498.8703 166.3663 -268232.4761 -222051.6704 166.3663 -2367.4920 -2346.9325 921491.4634 -2367.4920 -2346.9325
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 19470.1802 5687.6649 194.4179 -337813.1844 23106.2029 0.0000 0.0000 45077.0714 -222427.1260 163.9780 -267504.1974 -222054.6427 163.9780 -3838.6212 -2402.0240 921491.4634 -3838.6212 -2402.0240
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ENERGY: 412 22535.8949 19878.8222 5694.3233 198.8205 -338356.4974 23146.2935 0.0000 0.0000 44499.5087 -222402.8343 161.8770 -266902.3429 -222068.4598 161.8770 -4717.2139 -2436.3028 921491.4634 -4717.2139 -2436.3028
ENERGY: 413 21130.1417 20138.5250 5699.9334 199.7191 -337872.5319 23125.1116 0.0000 0.0000 45113.2143 -222465.8869 164.1095 -267579.1012 -222055.3453 164.1095 -3850.6270 -2398.9549 921491.4634 -3850.6270 -2398.9549
ENERGY: 414 19987.3858 20381.5507 5705.1135 199.5118 -337122.7799 23094.4557 0.0000 0.0000 45271.6526 -222483.1097 164.6858 -267754.7623 -222052.1623 164.6858 -2501.3243 -2333.9464 921491.4634 -2501.3243 -2333.9464
ENERGY: 415 19745.2667 20572.1260 5708.7452 198.1487 -336456.1974 23071.1991 0.0000 0.0000 44733.2273 -222427.4844 162.7272 -267160.7117 -222049.0346 162.7272 -1174.6453 -2266.5615 921491.4634 -1174.6453 -2266.5615
ENERGY: 416 19942.3168 20661.9896 5710.0857 195.6953 -336157.5863 23063.1714 0.0000 0.0000 44200.2852 -222384.0422 160.7885 -266584.3274 -222052.9645 160.7885 -282.7614 -2224.6898 921491.4634 -282.7614 -2224.6898
ENERGY: 417 20031.3748 20631.3209 5709.0494 192.4696 -336373.1077 23072.1098 0.0000 0.0000 44338.4623 -222398.3210 161.2911 -266736.7833 -222044.6994 161.2911 -112.4554 -2227.1700 921491.4634 -112.4554 -2227.1700
ENERGY: 418 20154.6648 20457.0909 5705.5847 188.6536 -336970.7868 23098.6725 0.0000 0.0000 44915.1424 -222450.9779 163.3889 -267366.1203 -222046.7094 163.3889 -671.8547 -2269.9922 921491.4634 -671.8547 -2269.9922
ENERGY: 419 20790.7632 20185.5524 5700.4810 184.6054 -337717.8756 23139.8023 0.0000 0.0000 45250.3100 -222466.3614 164.6082 -267716.6714 -222049.5951 164.6082 -1783.9423 -2336.6465 921491.4634 -1783.9423 -2336.6465
TIMING: 420 CPU: 197.345, 0.458343/step Wall: 197.345, 0.458343/step, 0.0101854 hours remaining, 3223.953125 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 21418.8984 19324.4275 5689.6736 172.2145 -337416.8953 23180.6039 0.0000 0.0000 45183.9709 -222447.1064 164.3669 -267631.0774 -222051.5234 164.3669 -3955.8307 -2434.9306 921491.4634 -3955.8307 -2434.9306
ENERGY: 424 20531.3310 19270.7817 5692.6542 170.6563 -336406.2763 23140.4645 0.0000 0.0000 45151.0452 -222449.3433 164.2471 -267600.3886 -222060.4130 164.2471 -3030.1609 -2370.2034 921491.4634 -3030.1609 -2370.2034
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ENERGY: 428 20140.4228 19760.4169 5710.4628 168.5259 -336199.9846 23087.7676 0.0000 0.0000 44884.2592 -222448.1294 163.2766 -267332.3886 -222058.0547 163.2766 -935.5731 -2206.9583 921491.4634 -935.5731 -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
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ENERGY: 432 21768.3701 20188.6725 5710.3547 168.1086 -338651.2097 23176.0845 0.0000 0.0000 45177.9908 -222461.6285 164.3451 -267639.6193 -222065.9058 164.3451 -3350.2743 -2296.1498 921491.4634 -3350.2743 -2296.1498
ENERGY: 433 21200.9071 20275.9664 5710.3763 168.4633 -338164.0633 23162.2910 0.0000 0.0000 45192.9281 -222453.1311 164.3995 -267646.0592 -222052.5982 164.3995 -3187.3734 -2272.1277 921491.4634 -3187.3734 -2272.1277
ENERGY: 434 20730.3413 20338.1500 5711.6061 169.3247 -337394.2701 23140.7735 0.0000 0.0000 44883.0995 -222420.9751 163.2724 -267304.0746 -222051.1462 163.2724 -2694.3108 -2227.7886 921491.4634 -2694.3108 -2227.7886
ENERGY: 435 20235.2200 20362.4015 5714.0003 170.8455 -336680.6553 23123.4097 0.0000 0.0000 44675.9839 -222398.7944 162.5190 -267074.7782 -222049.5888 162.5190 -2061.3582 -2179.8952 921491.4634 -2061.3582 -2179.8952
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ENERGY: 437 19434.5514 20329.5093 5720.9894 175.9827 -336411.9782 23136.3867 0.0000 0.0000 45159.2688 -222455.2900 164.2770 -267614.5587 -222050.7501 164.2770 -1319.1169 -2134.4849 921491.4634 -1319.1169 -2134.4849
ENERGY: 438 19935.1532 20278.6097 5724.6884 179.3848 -336899.4574 23173.5518 0.0000 0.0000 45148.1322 -222459.9372 164.2365 -267608.0694 -222051.5667 164.2365 -1493.0942 -2145.0882 921491.4634 -1493.0942 -2145.0882
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TIMING: 440 CPU: 206.502, 0.457851/step Wall: 206.502, 0.457851/step, 0.00763086 hours remaining, 3223.953125 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 20036.2374 5729.7527 186.7202 -338123.1804 23276.2485 0.0000 0.0000 44417.5456 -222405.1077 161.5788 -266822.6533 -222059.4771 161.5788 -2408.4613 -2197.9671 921491.4634 -2408.4613 -2197.9671
ENERGY: 441 22355.5484 19860.0412 5730.3488 190.1146 -338361.1713 23313.2043 0.0000 0.0000 44502.6963 -222409.2177 161.8886 -266911.9140 -222050.0858 161.8886 -2716.1028 -2221.5313 921491.4634 -2716.1028 -2221.5313
ENERGY: 442 21853.6117 19664.5351 5729.4854 192.9412 -338090.1530 23327.1566 0.0000 0.0000 44880.6318 -222441.7912 163.2634 -267322.4230 -222049.7753 163.2634 -2710.5577 -2229.0696 921491.4634 -2710.5577 -2229.0696
ENERGY: 443 21064.3317 19487.0723 5727.6164 194.9329 -337369.3146 23320.0156 0.0000 0.0000 45118.1104 -222457.2352 164.1273 -267575.3456 -222048.5994 164.1273 -2448.1649 -2220.3531 921491.4634 -2448.1649 -2220.3531
ENERGY: 444 20449.3365 19357.2689 5725.4095 195.8735 -336464.1923 23301.5274 0.0000 0.0000 44987.7174 -222447.0591 163.6530 -267434.7765 -222057.9801 163.6530 -2090.2101 -2206.4401 921491.4634 -2090.2101 -2206.4401
ENERGY: 445 20125.5608 19307.2516 5723.6513 195.6942 -335759.3914 23283.8136 0.0000 0.0000 44708.7154 -222414.7044 162.6380 -267123.4198 -222046.5431 162.6380 -1846.9627 -2201.6927 921491.4634 -1846.9627 -2201.6927
ENERGY: 446 19947.6802 19324.9004 5722.5430 194.3235 -335494.5707 23276.0448 0.0000 0.0000 44620.2946 -222408.7842 162.3164 -267029.0788 -222046.1623 162.3164 -1800.7518 -2216.7295 921491.4634 -1800.7518 -2216.7295
ENERGY: 447 19914.2846 19416.0209 5722.2107 191.8641 -335769.4398 23282.7455 0.0000 0.0000 44816.5087 -222425.8053 163.0301 -267242.3140 -222046.8346 163.0301 -1993.3113 -2253.0604 921491.4634 -1993.3113 -2253.0604
ENERGY: 448 20187.5922 19583.6800 5722.5764 188.5554 -336503.1795 23303.8901 0.0000 0.0000 45065.6671 -222451.2184 163.9365 -267516.8855 -222059.3480 163.9365 -2372.1878 -2303.7898 921491.4634 -2372.1878 -2303.7898
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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 21754.4853 20108.1300 5724.4776 181.0897 -338419.3245 23364.6239 0.0000 0.0000 44854.3095 -222432.2085 163.1676 -267286.5180 -222048.7859 163.1676 -3116.6757 -2394.3896 921491.4634 -3116.6757 -2394.3896
ENERGY: 451 22355.5900 20357.7255 5724.7143 177.6517 -338952.0905 23381.8003 0.0000 0.0000 44542.6987 -222411.9099 162.0341 -266954.6087 -222048.8245 162.0341 -3074.2533 -2405.7797 921491.4634 -3074.2533 -2405.7797
ENERGY: 452 22246.2013 20536.0134 5723.8953 174.8859 -338927.1538 23378.0940 0.0000 0.0000 44452.9197 -222415.1442 161.7075 -266868.0640 -222059.6373 161.7075 -2659.9607 -2384.7569 921491.4634 -2659.9607 -2384.7569
ENERGY: 453 21399.8727 20641.1310 5722.2878 173.1350 -338392.7936 23354.5904 0.0000 0.0000 44683.7033 -222418.0733 162.5470 -267101.7766 -222043.5374 162.5470 -2048.3340 -2342.4669 921491.4634 -2048.3340 -2342.4669
ENERGY: 454 20248.3383 20654.1374 5720.2217 172.3637 -337567.1417 23320.6898 0.0000 0.0000 45008.1465 -222443.2444 163.7273 -267451.3909 -222041.8394 163.7273 -1453.4580 -2293.1451 921491.4634 -1453.4580 -2293.1451
ENERGY: 455 19486.7907 20584.7121 5718.4844 172.5169 -336790.6455 23290.4020 0.0000 0.0000 45086.5789 -222451.1606 164.0126 -267537.7395 -222040.8573 164.0126 -1151.8825 -2255.8572 921491.4634 -1151.8825 -2255.8572
ENERGY: 456 19493.3720 20440.6802 5717.7555 173.4248 -336350.1077 23274.9628 0.0000 0.0000 44811.4726 -222438.4397 163.0118 -267249.9123 -222055.3488 163.0118 -1305.5005 -2245.5824 921491.4634 -1305.5005 -2245.5824
ENERGY: 457 20047.4928 20251.9437 5718.5580 174.9241 -336395.8165 23277.8272 0.0000 0.0000 44521.8704 -222403.2004 161.9583 -266925.0708 -222049.4134 161.9583 -1906.4165 -2263.5013 921491.4634 -1906.4165 -2263.5013
ENERGY: 458 20585.8435 20019.2725 5720.7060 176.6081 -336835.0959 23294.7170 0.0000 0.0000 44632.7886 -222405.1601 162.3618 -267037.9487 -222051.2824 162.3618 -2684.6987 -2301.0427 921491.4634 -2684.6987 -2301.0427
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TIMING: 460 CPU: 215.66, 0.457889/step Wall: 215.66, 0.457889/step, 0.00508765 hours remaining, 3223.953125 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 21262.6139 19597.9065 5728.0971 179.4910 -338014.3767 23341.7999 0.0000 0.0000 45423.8564 -222480.6119 165.2395 -267904.4683 -222064.6838 165.2395 -3669.8203 -2365.2414 921491.4634 -3669.8203 -2365.2414
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ENERGY: 462 22264.2256 19487.8109 5736.4822 180.9531 -337988.7170 23351.1084 0.0000 0.0000 44559.9291 -222408.2077 162.0968 -266968.1368 -222056.7217 162.0968 -2954.8202 -2323.4252 921491.4634 -2954.8202 -2323.4252
ENERGY: 463 21821.1793 19513.9015 5738.9361 181.1160 -337284.1028 23326.9475 0.0000 0.0000 44313.4568 -222388.5655 161.2002 -266702.0223 -222054.6245 161.2002 -2012.4427 -2264.0780 921491.4634 -2012.4427 -2264.0780
ENERGY: 464 20535.2462 19559.9272 5739.2518 181.0096 -336389.3836 23291.1940 0.0000 0.0000 44654.0263 -222428.7285 162.4391 -267082.7548 -222058.5729 162.4391 -1050.9228 -2205.5268 921491.4634 -1050.9228 -2205.5268
ENERGY: 465 19322.7827 19631.8855 5737.2899 180.7155 -335701.1529 23259.7389 0.0000 0.0000 45094.5685 -222474.1720 164.0416 -267568.7405 -222052.9388 164.0416 -512.3347 -2174.4008 921491.4634 -512.3347 -2174.4008
ENERGY: 466 19088.4508 19708.3583 5733.2107 180.2808 -335443.7720 23245.0602 0.0000 0.0000 45020.7905 -222467.6207 163.7733 -267488.4112 -222052.9786 163.7733 -630.3314 -2182.6710 921491.4634 -630.3314 -2182.6710
ENERGY: 467 19841.8068 19783.1745 5727.6704 179.7757 -335721.0946 23249.4527 0.0000 0.0000 44523.6661 -222415.5483 161.9649 -266939.2144 -222054.3495 161.9649 -1393.6029 -2232.5924 921491.4634 -1393.6029 -2232.5924
ENERGY: 468 20761.8482 19845.4945 5721.5089 179.2779 -336451.5661 23265.8123 0.0000 0.0000 44291.6580 -222385.9663 161.1209 -266677.6243 -222056.3591 161.1209 -2508.6714 -2314.1340 921491.4634 -2508.6714 -2314.1340
ENERGY: 469 21236.3016 19910.2024 5715.6824 178.8504 -337458.3197 23284.3959 0.0000 0.0000 44720.3198 -222412.5672 162.6802 -267132.8870 -222046.0750 162.6802 -3596.7406 -2405.7973 921491.4634 -3596.7406 -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 21411.1729 19972.8936 5710.9491 178.5947 -338383.2503 23297.0670 0.0000 0.0000 45346.4573 -222466.1157 164.9579 -267812.5730 -222047.6089 164.9579 -4259.6995 -2477.6831 921491.4634 -4259.6995 -2477.6831
ENERGY: 471 21732.8675 20054.6836 5707.9626 178.5890 -338913.2449 23297.5083 0.0000 0.0000 45471.3368 -222470.2971 165.4122 -267941.6338 -222047.5359 165.4122 -4290.5683 -2504.3176 921491.4634 -4290.5683 -2504.3176
ENERGY: 472 22081.2360 20161.5552 5707.0091 178.9047 -338870.6766 23279.4489 0.0000 0.0000 45028.5297 -222433.9931 163.8014 -267462.5228 -222059.5060 163.8014 -3659.7363 -2479.9186 921491.4634 -3659.7363 -2479.9186
ENERGY: 473 21866.1364 20289.3426 5707.9843 179.6165 -338307.7191 23240.7361 0.0000 0.0000 44634.5173 -222389.3861 162.3681 -267023.9033 -222043.8541 162.3681 -2556.3619 -2408.1660 921491.4634 -2556.3619 -2408.1660
ENERGY: 474 20842.9706 20372.0986 5710.2160 180.7466 -337438.4553 23189.2345 0.0000 0.0000 44733.2306 -222409.9583 162.7272 -267143.1889 -222041.2621 162.7272 -1295.5528 -2316.2730 921491.4634 -1295.5528 -2316.2730
ENERGY: 475 19674.2080 20371.7675 5712.9876 182.2512 -336604.2313 23142.3814 0.0000 0.0000 45070.2139 -222450.4218 163.9531 -267520.6357 -222039.4532 163.9531 -344.6453 -2232.2128 921491.4634 -344.6453 -2232.2128
ENERGY: 476 19235.7860 20282.0275 5715.7683 184.0125 -336100.0903 23115.8463 0.0000 0.0000 45106.0634 -222460.5863 164.0835 -267566.6497 -222053.6139 164.0835 -92.4052 -2183.0655 921491.4634 -92.4052 -2183.0655
ENERGY: 477 19704.7249 20145.9814 5718.4976 185.9230 -336101.8787 23114.2935 0.0000 0.0000 44812.3207 -222420.1376 163.0149 -267232.4583 -222044.8412 163.0149 -667.4948 -2171.8231 921491.4634 -667.4948 -2171.8231
ENERGY: 478 20493.4776 19974.7638 5721.0254 187.7262 -336537.4032 23131.2455 0.0000 0.0000 44627.0331 -222402.1315 162.3409 -267029.1646 -222047.4108 162.3409 -1807.1606 -2198.7958 921491.4634 -1807.1606 -2198.7958
ENERGY: 479 21125.3056 19793.3956 5723.3295 189.2099 -337215.5832 23156.6766 0.0000 0.0000 44802.1577 -222425.5084 162.9779 -267227.6661 -222050.5461 162.9779 -3089.8517 -2246.7920 921491.4634 -3089.8517 -2246.7920
TIMING: 480 CPU: 224.813, 0.457641/step Wall: 224.813, 0.457641/step, 0.00254245 hours remaining, 3223.953125 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 21624.0323 19623.1963 5725.3111 190.1901 -337854.6776 23181.5112 0.0000 0.0000 45051.6817 -222458.7549 163.8856 -267510.4366 -222064.6209 163.8856 -4077.7326 -2291.4893 921491.4634 -4077.7326 -2291.4893
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ENERGY: 482 22186.3467 19466.6792 5728.4964 190.3598 -338044.5410 23192.7466 0.0000 0.0000 44865.8523 -222414.0600 163.2096 -267279.9122 -222051.4112 163.2096 -4059.3099 -2278.0617 921491.4634 -4059.3099 -2278.0617
ENERGY: 483 21553.1416 19511.5743 5729.5661 189.3227 -337426.2178 23165.8732 0.0000 0.0000 44861.8970 -222414.8429 163.1953 -267276.7399 -222048.7671 163.1953 -2964.1725 -2216.4118 921491.4634 -2964.1725 -2216.4118
ENERGY: 484 20460.8929 19631.1939 5730.2465 187.5455 -336590.8879 23126.1343 0.0000 0.0000 45003.6033 -222451.2717 163.7107 -267454.8749 -222059.8742 163.7107 -1565.2429 -2143.1853 921491.4634 -1565.2429 -2143.1853
ENERGY: 485 19688.7721 19800.2992 5730.5256 185.2458 -335902.5860 23092.8461 0.0000 0.0000 44955.5727 -222449.3245 163.5360 -267404.8972 -222045.9605 163.5360 -422.1574 -2086.8739 921491.4634 -422.1574 -2086.8739
ENERGY: 486 19602.5427 19954.8177 5729.7198 182.4662 -335612.3560 23080.3798 0.0000 0.0000 44645.9117 -222416.5181 162.4096 -267062.4298 -222044.6760 162.4096 87.3176 -2070.0986 921491.4634 87.3176 -2070.0986
ENERGY: 487 19881.0926 20072.0214 5727.4348 179.4360 -335846.4472 23091.0534 0.0000 0.0000 44503.3492 -222392.0599 161.8910 -266895.4091 -222045.2406 161.8910 -192.2350 -2106.8844 921491.4634 -192.2350 -2106.8844
ENERGY: 488 20125.2098 20156.1362 5723.5441 176.4338 -336552.5442 23118.8606 0.0000 0.0000 44827.0555 -222425.3042 163.0685 -267252.3597 -222057.1939 163.0685 -1145.7537 -2194.6683 921491.4634 -1145.7537 -2194.6683
ENERGY: 489 20526.8869 20236.4608 5718.5749 173.8639 -337540.4644 23156.7300 0.0000 0.0000 45266.1005 -222461.8474 164.6656 -267727.9479 -222045.6087 164.6656 -2511.2406 -2316.7069 921491.4634 -2511.2406 -2316.7069
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7485 20292.9020 5712.8912 171.8438 -338458.1350 23196.4867 0.0000 0.0000 45213.5632 -222459.6995 164.4745 -267673.2627 -222048.2209 164.4745 -3823.4039 -2437.4157 921491.4634 -3823.4039 -2437.4157
ENERGY: 491 22430.4636 20312.1359 5707.3795 170.5404 -338984.5784 23226.0927 0.0000 0.0000 44733.0093 -222404.9570 162.7264 -267137.9663 -222049.4639 162.7264 -4629.6935 -2524.6217 921491.4634 -4629.6935 -2524.6217
ENERGY: 492 22612.9547 20289.6810 5702.9944 170.0208 -338937.5809 23232.7196 0.0000 0.0000 44542.1952 -222387.0152 162.0323 -266929.2104 -222060.3861 162.0323 -4606.8525 -2557.4731 921491.4634 -4606.8525 -2557.4731
ENERGY: 493 21558.2191 20260.7374 5700.7779 170.3200 -338358.0629 23214.0528 0.0000 0.0000 45033.8229 -222420.1327 163.8207 -267453.9556 -222046.5902 163.8207 -3796.3821 -2540.0998 921491.4634 -3796.3821 -2540.0998
ENERGY: 494 20068.3370 20225.0262 5700.9805 171.2193 -337454.3833 23183.0787 0.0000 0.0000 45622.2475 -222483.4940 165.9612 -268105.7415 -222044.0868 165.9612 -2500.8995 -2482.1070 921491.4634 -2500.8995 -2482.1070
ENERGY: 495 19383.2464 20186.8303 5703.5926 172.5416 -336566.9884 23159.4617 0.0000 0.0000 45484.1232 -222477.1926 165.4587 -267961.3158 -222041.5564 165.4587 -1249.6840 -2407.3057 921491.4634 -1249.6840 -2407.3057
ENERGY: 496 19722.4833 20130.6474 5708.0350 174.0933 -335998.7154 23154.2628 0.0000 0.0000 44699.5271 -222409.6663 162.6046 -267109.1935 -222049.0674 162.6046 -478.9001 -2343.4753 921491.4634 -478.9001 -2343.4753
ENERGY: 497 20212.6667 20059.9177 5713.4613 175.7242 -335952.5039 23166.3538 0.0000 0.0000 44261.0289 -222363.3514 161.0095 -266624.3803 -222042.7504 161.0095 -421.0235 -2316.7930 921491.4634 -421.0235 -2316.7930
ENERGY: 498 20182.0164 19957.1215 5718.5596 177.2604 -336366.4930 23189.3579 0.0000 0.0000 44728.2536 -222413.9237 162.7091 -267142.1773 -222044.5223 162.7091 -993.4681 -2331.6475 921491.4634 -993.4681 -2331.6475
ENERGY: 499 20158.0676 19847.7306 5722.4089 178.6361 -337058.4821 23219.2398 0.0000 0.0000 45439.2648 -222493.1343 165.2956 -267932.3991 -222047.2066 165.2956 -2020.8688 -2376.3392 921491.4634 -2020.8688 -2376.3392
Info: Benchmark time: 4 CPUs 0.457134 s/step 5.29091 days/ns 3223.95 MB memory
TIMING: 500 CPU: 233.892, 0.453955/step Wall: 233.892, 0.453955/step, 0 hours remaining, 3223.953125 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 20974.8934 19756.6581 5724.4523 179.8271 -337741.4185 23251.1003 0.0000 0.0000 45359.0785 -222495.4089 165.0039 -267854.4874 -222061.0907 165.0039 -3197.5165 -2425.4141 921491.4634 -3197.5165 -2425.4141
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, 3229.207 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.207 MB of memory in use
====================================================
WallClock: 240.709091 CPUTime: 240.709091 Memory: 3229.207031 MB
[Partition 0][Node 0] End of program
Application 109380572 resources: utime ~946s, stime ~19s, Rss ~126784, inblocks ~67012, outblocks ~72238
Displaying status file:
verified
WALL=240.709091
CPU=240.709091
MEM=3229.207031
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins15928404296633021058.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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