Skipping 712 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 ============== 54.403
LDB: Largest compute 200 load 0.429235 is 1.2% of average load 36.880350
LDB: Average compute 0.051667 is 0.1% of average load 36.880350
LDB: Partitioning computes with target load 3.688035
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055264
LDB: ============== END OF LOAD BALANCING =============== 54.4051
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.406
Info: Initial time: 4 CPUs 0.47516 s/step 5.49954 days/ns 3221.59 MB memory
TIMING: 100 CPU: 48.4893, 0.474119/step Wall: 48.4893, 0.474119/step, 0.0526798 hours remaining, 3221.589844 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 ============== 63.8735
LDB: ============== END OF LOAD BALANCING =============== 63.8735
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.874
TIMING: 120 CPU: 57.9566, 0.473362/step Wall: 57.9566, 0.473362/step, 0.049966 hours remaining, 3221.816406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 130 21553.6088 18898.7761 5736.4508 185.0194 -334776.0136 21118.0422 0.0000 0.0000 44811.1497 -222472.9665 163.0106 -267284.1163 -222216.5363 163.0106 -5536.0556 -2842.3154 921491.4634 -5536.0556 -2842.3154
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ENERGY: 138 21874.8525 19195.4803 5730.8549 192.8766 -333203.4344 21083.5324 0.0000 0.0000 42784.9640 -222340.8738 155.6399 -265125.8378 -222213.1815 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.4155, 0.472949/step Wall: 67.4155, 0.472949/step, 0.0472949 hours remaining, 3221.968750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 140 20992.5977 17997.1578 5722.1741 192.2140 -333726.9440 21127.4060 0.0000 0.0000 45144.2513 -222551.1431 164.2224 -267695.3944 -222224.0359 164.2224 -5617.7627 -3080.3638 921491.4634 -5617.7627 -3080.3638
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 150 21015.8993 19956.3835 5767.3089 192.0924 -334899.3754 20845.5771 0.0000 0.0000 44606.5898 -222515.5244 162.2665 -267122.1142 -222153.2665 162.2665 -4472.9375 -2881.9211 921491.4634 -4472.9375 -2881.9211
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TIMING: 160 CPU: 76.8636, 0.472403/step Wall: 76.8636, 0.472403/step, 0.0446158 hours remaining, 3222.304688 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: 178 21917.7900 18733.9560 5737.6245 154.5770 -332975.2976 21015.2132 0.0000 0.0000 43101.1546 -222314.9823 156.7902 -265416.1369 -222126.1320 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 86.3007, 0.471857/step Wall: 86.3007, 0.471857/step, 0.0419428 hours remaining, 3222.304688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 186 19266.0405 19234.9570 5686.4352 181.9571 -332240.0936 21043.7459 0.0000 0.0000 44391.5888 -222435.3690 161.4844 -266826.9578 -222129.2886 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1126 21076.9265 0.0000 0.0000 42449.0058 -222222.0800 154.4178 -264671.0857 -222130.9078 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 198 21224.0061 18800.3006 5711.3574 186.3640 -333385.4998 21161.1533 0.0000 0.0000 43911.2865 -222391.0319 159.7372 -266302.3184 -222090.4390 159.7372 -4381.6809 -2646.7679 921491.4634 -4381.6809 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.655
LDB: Largest compute 200 load 0.425430 is 1.2% of average load 36.703493
LDB: Average compute 0.051414 is 0.1% of average load 36.703493
LDB: TIME 101.657 LOAD: AVG 36.7035 MAX 37.7812 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.65 MB
LDB: TIME 101.659 LOAD: AVG 36.7035 MAX 37.6497 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.65 MB
LDB: ============== END OF LOAD BALANCING =============== 101.661
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.664
Info: Initial time: 4 CPUs 0.472408 s/step 5.46769 days/ns 3223.88 MB memory
TIMING: 200 CPU: 95.7401, 0.471968/step Wall: 95.7401, 0.471968/step, 0.0393306 hours remaining, 3223.882812 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: 220 CPU: 105.186, 0.472281/step Wall: 105.186, 0.472281/step, 0.0367329 hours remaining, 3223.882812 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: 114.623, 0.471848/step Wall: 114.623, 0.471848/step, 0.0340779 hours remaining, 3223.882812 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: 245 20148.2368 19811.7598 5725.7785 171.4559 -334087.5945 21701.2471 0.0000 0.0000 44168.5248 -222360.5916 160.6730 -266529.1165 -222068.6364 160.6730 -1771.6900 -2533.5454 921491.4634 -1771.6900 -2533.5454
ENERGY: 246 20878.5480 19853.7024 5716.8932 174.1558 -334213.1205 21705.0851 0.0000 0.0000 43600.4183 -222284.3177 158.6063 -265884.7360 -222067.4294 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5286 19979.6440 5712.7400 177.5412 -334802.1843 21719.8455 0.0000 0.0000 44912.1912 -222431.6936 163.3782 -267343.8848 -222068.1393 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4926 20164.4297 5713.8450 181.3144 -335623.1353 21746.4311 0.0000 0.0000 46185.9361 -222595.6863 168.0117 -268781.6224 -222090.3125 168.0117 -1359.1247 -2608.3065 921491.4634 -1359.1247 -2608.3065
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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: 256 20899.4409 18950.9579 5693.4518 195.6570 -332975.5972 21757.6848 0.0000 0.0000 43181.1613 -222297.2435 157.0812 -265478.4049 -222071.2737 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5653 18878.1874 5681.1759 194.7976 -333481.0039 21780.2420 0.0000 0.0000 44488.5469 -222428.4888 161.8371 -266917.0357 -222060.1681 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5868 18882.0667 5673.2911 193.6684 -334373.1544 21817.5078 0.0000 0.0000 45796.2578 -222556.7760 166.5942 -268353.0338 -222062.0606 166.5942 -2331.2328 -2737.1919 921491.4634 -2331.2328 -2737.1919
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TIMING: 260 CPU: 124.053, 0.471496/step Wall: 124.053, 0.471496/step, 0.0314331 hours remaining, 3224.187500 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: 263 19781.1228 20140.5621 5703.8103 187.9445 -335614.9713 21924.4741 0.0000 0.0000 45349.7772 -222527.2804 164.9700 -267877.0576 -222051.1547 164.9700 -2647.8114 -2773.3903 921491.4634 -2647.8114 -2773.3903
ENERGY: 264 19385.2260 20436.4305 5710.6950 187.5052 -334855.9510 21907.7773 0.0000 0.0000 44751.4784 -222476.8387 162.7936 -267228.3172 -222069.1982 162.7936 -2191.1926 -2723.5293 921491.4634 -2191.1926 -2723.5293
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ENERGY: 268 19962.9161 20375.7516 5700.1930 187.9286 -335513.7450 21959.1258 0.0000 0.0000 44823.5376 -222504.2922 163.0557 -267327.8299 -222075.9873 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -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
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ENERGY: 272 21021.5584 18896.0662 5692.8269 184.9335 -335921.4612 22015.0580 0.0000 0.0000 45607.7077 -222503.3105 165.9083 -268111.0182 -222081.1567 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9081 5697.5118 183.8526 -334925.7009 21985.5296 0.0000 0.0000 45502.7161 -222499.9690 165.5264 -268002.6852 -222069.0454 165.5264 -1837.1974 -2434.6759 921491.4634 -1837.1974 -2434.6759
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ENERGY: 276 19401.8501 19594.7509 5701.2547 182.4904 -333292.1279 21971.0410 0.0000 0.0000 44028.5272 -222412.2137 160.1637 -266440.7409 -222072.9391 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2973 19724.7160 5695.5210 182.9396 -333864.3452 21997.2387 0.0000 0.0000 44632.8112 -222481.8214 162.3619 -267114.6326 -222061.0984 162.3619 -2311.7545 -2498.0544 921491.4634 -2311.7545 -2498.0544
ENERGY: 278 20199.4578 19713.7760 5686.9122 183.6585 -334821.1002 22041.3359 0.0000 0.0000 44532.2540 -222463.7058 161.9961 -266995.9598 -222063.4127 161.9961 -3254.8157 -2593.7696 921491.4634 -3254.8157 -2593.7696
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TIMING: 280 CPU: 133.464, 0.470563/step Wall: 133.464, 0.470563/step, 0.0287566 hours remaining, 3224.187500 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: 286 19396.6309 20966.5623 5721.5032 185.8230 -334658.1148 22176.6863 0.0000 0.0000 43785.6882 -222425.2209 159.2803 -266210.9091 -222054.0579 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
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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 ============== 148.813
LDB: Largest compute 200 load 0.520974 is 1.1% of average load 45.851583
LDB: Average compute 0.064237 is 0.1% of average load 45.851583
LDB: TIME 148.815 LOAD: AVG 45.8516 MAX 47.1487 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.39 MB
LDB: TIME 148.816 LOAD: AVG 45.8516 MAX 47.1487 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.39 MB
LDB: TIME 148.831 LOAD: AVG 45.8516 MAX 46.377 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.39 MB
LDB: ============== END OF LOAD BALANCING =============== 148.832
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.833
Info: Initial time: 4 CPUs 0.471196 s/step 5.45366 days/ns 3224.39 MB memory
TIMING: 300 CPU: 142.88, 0.470826/step Wall: 142.88, 0.470826/step, 0.026157 hours remaining, 3224.386719 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 320 CPU: 152.131, 0.462542/step Wall: 152.131, 0.462542/step, 0.0231271 hours remaining, 3224.386719 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: 161.372, 0.462042/step Wall: 161.372, 0.462042/step, 0.0205352 hours remaining, 3224.386719 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: 356 19622.4370 20015.8109 5694.4280 181.9402 -334758.7690 22674.4076 0.0000 0.0000 44153.0886 -222416.6565 160.6168 -266569.7452 -222053.0962 160.6168 -1622.0263 -2446.8266 921491.4634 -1622.0263 -2446.8266
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TIMING: 360 CPU: 170.605, 0.461637/step Wall: 170.605, 0.461637/step, 0.0179525 hours remaining, 3224.386719 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: 368 20561.5939 19748.2121 5739.6691 179.8275 -335728.0872 22808.6648 0.0000 0.0000 44272.8409 -222417.2790 161.0524 -266690.1199 -222068.2909 161.0524 -2928.4889 -2487.3071 921491.4634 -2928.4889 -2487.3071
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 377 20646.4609 20251.1593 5706.5522 182.3249 -335763.5796 22794.3769 0.0000 0.0000 43848.2756 -222334.4300 159.5080 -266182.7056 -222041.4010 159.5080 -1819.5859 -2472.4986 921491.4634 -1819.5859 -2472.4986
ENERGY: 378 20473.8101 20495.6594 5711.4639 183.2952 -336584.2273 22821.5832 0.0000 0.0000 44474.7537 -222423.6619 161.7869 -266898.4155 -222044.3965 161.7869 -2972.9875 -2523.3499 921491.4634 -2972.9875 -2523.3499
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TIMING: 380 CPU: 179.833, 0.461393/step Wall: 179.833, 0.461393/step, 0.0153798 hours remaining, 3224.386719 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: 383 21263.6993 19910.9246 5714.6670 180.7420 -337128.0223 22911.2841 0.0000 0.0000 44707.9443 -222438.7610 162.6352 -267146.7053 -222048.1879 162.6352 -2023.0804 -2294.0134 921491.4634 -2023.0804 -2294.0134
ENERGY: 384 19625.4113 19596.0354 5710.5349 179.0647 -336052.0480 22884.2530 0.0000 0.0000 45539.1831 -222517.5655 165.6590 -268056.7486 -222062.0922 165.6590 -569.2380 -2166.9359 921491.4634 -569.2380 -2166.9359
ENERGY: 385 19327.8181 19356.8913 5707.7751 177.4354 -335210.6396 22871.6140 0.0000 0.0000 45299.7170 -222469.3887 164.7879 -267769.1056 -222051.0990 164.7879 215.3513 -2064.3637 921491.4634 215.3513 -2064.3637
ENERGY: 386 19981.2273 19220.9466 5707.6637 175.9384 -334865.1813 22880.7954 0.0000 0.0000 44519.8585 -222378.7513 161.9510 -266898.6098 -222051.0434 161.9510 122.6668 -2011.2429 921491.4634 122.6668 -2011.2429
ENERGY: 387 20367.2861 19202.4846 5710.9354 174.6759 -335109.8722 22905.2740 0.0000 0.0000 44377.1815 -222372.0346 161.4320 -266749.2162 -222053.0047 161.4320 -738.9587 -2019.1690 921491.4634 -738.9587 -2019.1690
ENERGY: 388 20282.3988 19280.0169 5717.2934 173.7038 -335824.1517 22938.2897 0.0000 0.0000 44972.7761 -222459.6730 163.5986 -267432.4490 -222067.4816 163.5986 -2063.8556 -2076.2822 921491.4634 -2063.8556 -2076.2822
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 398 19692.8117 20133.3592 5716.9814 176.0456 -336812.3379 23014.0581 0.0000 0.0000 45592.7324 -222486.3495 165.8538 -268079.0818 -222045.7221 165.8538 -1710.2239 -2443.6967 921491.4634 -1710.2239 -2443.6967
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LDB: ============= START OF LOAD BALANCING ============== 195.017
LDB: Largest compute 230 load 0.525318 is 1.1% of average load 45.738406
LDB: Average compute 0.064056 is 0.1% of average load 45.738406
LDB: TIME 195.019 LOAD: AVG 45.7384 MAX 46.1835 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.39 MB
LDB: TIME 195.019 LOAD: AVG 45.7384 MAX 46.1835 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.39 MB
LDB: TIME 195.02 LOAD: AVG 45.7384 MAX 46.1835 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.39 MB
LDB: ============== END OF LOAD BALANCING =============== 195.02
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.021
Info: Benchmark time: 4 CPUs 0.461769 s/step 5.34455 days/ns 3224.39 MB memory
TIMING: 400 CPU: 189.061, 0.461439/step Wall: 189.061, 0.461439/step, 0.0128178 hours remaining, 3224.386719 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 402 22444.0480 19835.9108 5715.8942 173.8391 -338107.6286 23109.6375 0.0000 0.0000 44436.8100 -222391.4890 161.6489 -266828.2990 -222049.2226 161.6489 -4939.3795 -2681.7026 921491.4634 -4939.3795 -2681.7026
ENERGY: 403 20784.9696 19778.4827 5715.7218 174.2695 -337239.9783 23077.8399 0.0000 0.0000 45225.5964 -222483.0984 164.5183 -267708.6948 -222046.6854 164.5183 -3613.5979 -2605.7429 921491.4634 -3613.5979 -2605.7429
ENERGY: 404 19687.5954 19735.4028 5713.8114 175.5084 -336169.1137 23038.2897 0.0000 0.0000 45313.8394 -222504.6666 164.8393 -267818.5060 -222060.2368 164.8393 -1967.0748 -2494.0439 921491.4634 -1967.0748 -2494.0439
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ENERGY: 408 19735.8472 19387.6644 5692.2152 187.5226 -335902.8215 23017.8170 0.0000 0.0000 45394.4120 -222487.3431 165.1324 -267881.7551 -222063.5310 165.1324 -920.8284 -2294.1558 921491.4634 -920.8284 -2294.1558
ENERGY: 409 20350.1188 19376.4608 5688.4775 191.1592 -336896.6842 23057.9919 0.0000 0.0000 45733.6058 -222498.8702 166.3663 -268232.4760 -222051.6703 166.3663 -2367.4922 -2346.9327 921491.4634 -2367.4922 -2346.9327
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5210 19470.1803 5687.6650 194.4179 -337813.1841 23106.2026 0.0000 0.0000 45077.0715 -222427.1259 163.9780 -267504.1974 -222054.6426 163.9780 -3838.6213 -2402.0242 921491.4634 -3838.6213 -2402.0242
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ENERGY: 412 22535.8951 19878.8221 5694.3234 198.8205 -338356.4968 23146.2933 0.0000 0.0000 44499.5083 -222402.8341 161.8770 -266902.3424 -222068.4597 161.8770 -4717.2139 -2436.3029 921491.4634 -4717.2139 -2436.3029
ENERGY: 413 21130.1419 20138.5249 5699.9334 199.7191 -337872.5313 23125.1113 0.0000 0.0000 45113.2139 -222465.8868 164.1095 -267579.1007 -222055.3451 164.1095 -3850.6270 -2398.9550 921491.4634 -3850.6270 -2398.9550
ENERGY: 414 19987.3857 20381.5507 5705.1135 199.5118 -337122.7792 23094.4554 0.0000 0.0000 45271.6524 -222483.1096 164.6858 -267754.7620 -222052.1622 164.6858 -2501.3243 -2333.9465 921491.4634 -2501.3243 -2333.9465
ENERGY: 415 19745.2666 20572.1259 5708.7452 198.1487 -336456.1966 23071.1988 0.0000 0.0000 44733.2271 -222427.4843 162.7272 -267160.7114 -222049.0344 162.7272 -1174.6454 -2266.5616 921491.4634 -1174.6454 -2266.5616
ENERGY: 416 19942.3170 20661.9896 5710.0857 195.6954 -336157.5854 23063.1712 0.0000 0.0000 44200.2847 -222384.0419 160.7885 -266584.3266 -222052.9642 160.7885 -282.7616 -2224.6898 921491.4634 -282.7616 -2224.6898
ENERGY: 417 20031.3750 20631.3209 5709.0494 192.4696 -336373.1067 23072.1095 0.0000 0.0000 44338.4616 -222398.3208 161.2911 -266736.7823 -222044.6991 161.2911 -112.4555 -2227.1701 921491.4634 -112.4555 -2227.1701
ENERGY: 418 20154.6649 20457.0908 5705.5847 188.6537 -336970.7859 23098.6723 0.0000 0.0000 44915.1419 -222450.9777 163.3889 -267366.1196 -222046.7091 163.3889 -671.8548 -2269.9923 921491.4634 -671.8548 -2269.9923
ENERGY: 419 20790.7630 20185.5522 5700.4811 184.6055 -337717.8748 23139.8020 0.0000 0.0000 45250.3099 -222466.3612 164.6082 -267716.6710 -222049.5948 164.6082 -1783.9423 -2336.6466 921491.4634 -1783.9423 -2336.6466
TIMING: 420 CPU: 198.268, 0.46033/step Wall: 198.268, 0.46033/step, 0.0102296 hours remaining, 3224.386719 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 22275.7615 19449.5349 5688.9976 174.4058 -338225.0309 23208.5471 0.0000 0.0000 45004.7082 -222423.0758 163.7148 -267427.7840 -222052.8450 163.7148 -4363.1153 -2465.6374 921491.4634 -4363.1153 -2465.6374
ENERGY: 423 21418.8986 19324.4273 5689.6736 172.2146 -337416.8952 23180.6036 0.0000 0.0000 45183.9712 -222447.1064 164.3669 -267631.0776 -222051.5233 164.3669 -3955.8308 -2434.9307 921491.4634 -3955.8308 -2434.9307
ENERGY: 424 20531.3310 19270.7816 5692.6543 170.6563 -336406.2760 23140.4641 0.0000 0.0000 45151.0457 -222449.3429 164.2471 -267600.3887 -222060.4126 164.2471 -3030.1611 -2370.2035 921491.4634 -3030.1611 -2370.2035
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ENERGY: 427 19598.5317 19595.2900 5707.1504 168.7509 -335498.4317 23074.5001 0.0000 0.0000 44915.2776 -222438.9309 163.3894 -267354.2085 -222048.7337 163.3894 -741.9011 -2207.6356 921491.4634 -741.9011 -2207.6356
ENERGY: 428 20140.4229 19760.4172 5710.4628 168.5259 -336199.9850 23087.7672 0.0000 0.0000 44884.2596 -222448.1294 163.2766 -267332.3890 -222058.0547 163.2766 -935.5732 -2206.9585 921491.4634 -935.5732 -2206.9585
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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 22013.9871 20024.3739 5712.1700 168.1897 -338096.9201 23149.4487 0.0000 0.0000 44626.3103 -222402.4404 162.3383 -267028.7507 -222047.3912 162.3383 -2472.2456 -2268.0465 921491.4634 -2472.2456 -2268.0465
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ENERGY: 432 21768.3705 20188.6726 5710.3547 168.1086 -338651.2099 23176.0840 0.0000 0.0000 45177.9911 -222461.6285 164.3451 -267639.6196 -222065.9058 164.3451 -3350.2743 -2296.1498 921491.4634 -3350.2743 -2296.1498
ENERGY: 433 21200.9073 20275.9665 5710.3763 168.4633 -338164.0635 23162.2905 0.0000 0.0000 45192.9285 -222453.1311 164.3995 -267646.0596 -222052.5982 164.3995 -3187.3735 -2272.1277 921491.4634 -3187.3735 -2272.1277
ENERGY: 434 20730.3412 20338.1500 5711.6061 169.3247 -337394.2702 23140.7729 0.0000 0.0000 44883.1000 -222420.9752 163.2724 -267304.0752 -222051.1462 163.2724 -2694.3110 -2227.7886 921491.4634 -2694.3110 -2227.7886
ENERGY: 435 20235.2200 20362.4015 5714.0003 170.8455 -336680.6553 23123.4092 0.0000 0.0000 44675.9843 -222398.7944 162.5190 -267074.7787 -222049.5889 162.5190 -2061.3584 -2179.8952 921491.4634 -2061.3584 -2179.8952
ENERGY: 436 19670.9243 20349.9982 5717.2345 173.0864 -336303.8811 23119.9073 0.0000 0.0000 44847.0986 -222425.6318 163.1414 -267272.7304 -222059.6960 163.1414 -1520.6600 -2145.1618 921491.4634 -1520.6600 -2145.1618
ENERGY: 437 19434.5518 20329.5092 5720.9893 175.9827 -336411.9784 23136.3863 0.0000 0.0000 45159.2689 -222455.2902 164.2770 -267614.5591 -222050.7504 164.2770 -1319.1170 -2134.4850 921491.4634 -1319.1170 -2134.4850
ENERGY: 438 19935.1533 20278.6095 5724.6883 179.3848 -336899.4576 23173.5515 0.0000 0.0000 45148.1327 -222459.9374 164.2365 -267608.0701 -222051.5669 164.2365 -1493.0942 -2145.0882 921491.4634 -1493.0942 -2145.0882
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TIMING: 440 CPU: 207.467, 0.459961/step Wall: 207.467, 0.459961/step, 0.00766602 hours remaining, 3224.386719 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 186.7201 -338123.1808 23276.2482 0.0000 0.0000 44417.5463 -222405.1080 161.5788 -266822.6543 -222059.4774 161.5788 -2408.4614 -2197.9674 921491.4634 -2408.4614 -2197.9674
ENERGY: 441 22355.5487 19860.0410 5730.3488 190.1145 -338361.1717 23313.2041 0.0000 0.0000 44502.6966 -222409.2180 161.8886 -266911.9146 -222050.0861 161.8886 -2716.1030 -2221.5316 921491.4634 -2716.1030 -2221.5316
ENERGY: 442 21853.6120 19664.5350 5729.4854 192.9411 -338090.1535 23327.1564 0.0000 0.0000 44880.6321 -222441.7914 163.2634 -267322.4235 -222049.7756 163.2634 -2710.5580 -2229.0699 921491.4634 -2710.5580 -2229.0699
ENERGY: 443 21064.3317 19487.0723 5727.6164 194.9329 -337369.3152 23320.0154 0.0000 0.0000 45118.1108 -222457.2355 164.1273 -267575.3463 -222048.5997 164.1273 -2448.1652 -2220.3534 921491.4634 -2448.1652 -2220.3534
ENERGY: 444 20449.3363 19357.2691 5725.4095 195.8735 -336464.1925 23301.5273 0.0000 0.0000 44987.7179 -222447.0590 163.6530 -267434.7769 -222057.9800 163.6530 -2090.2103 -2206.4402 921491.4634 -2090.2103 -2206.4402
ENERGY: 445 20125.5608 19307.2518 5723.6513 195.6942 -335759.3917 23283.8136 0.0000 0.0000 44708.7156 -222414.7044 162.6380 -267123.4200 -222046.5430 162.6380 -1846.9630 -2201.6928 921491.4634 -1846.9630 -2201.6928
ENERGY: 446 19947.6806 19324.9006 5722.5430 194.3235 -335494.5710 23276.0448 0.0000 0.0000 44620.2945 -222408.7841 162.3164 -267029.0786 -222046.1623 162.3164 -1800.7521 -2216.7296 921491.4634 -1800.7521 -2216.7296
ENERGY: 447 19914.2850 19416.0210 5722.2107 191.8641 -335769.4401 23282.7455 0.0000 0.0000 44816.5086 -222425.8052 163.0301 -267242.3138 -222046.8345 163.0301 -1993.3114 -2253.0605 921491.4634 -1993.3114 -2253.0605
ENERGY: 448 20187.5922 19583.6800 5722.5764 188.5554 -336503.1797 23303.8901 0.0000 0.0000 45065.6672 -222451.2183 163.9365 -267516.8855 -222059.3479 163.9365 -2372.1878 -2303.7899 921491.4634 -2372.1878 -2303.7899
ENERGY: 449 20877.4059 19832.6986 5723.5712 184.8596 -337500.9067 23334.5920 0.0000 0.0000 45101.1676 -222446.6117 164.0657 -267547.7793 -222047.7097 164.0657 -2827.1081 -2356.1408 921491.4634 -2827.1081 -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 20108.1300 5724.4776 181.0898 -338419.3243 23364.6239 0.0000 0.0000 44854.3092 -222432.2084 163.1676 -267286.5177 -222048.7858 163.1676 -3116.6756 -2394.3897 921491.4634 -3116.6756 -2394.3897
ENERGY: 451 22355.5903 20357.7256 5724.7144 177.6517 -338952.0900 23381.8003 0.0000 0.0000 44542.6980 -222411.9098 162.0341 -266954.6078 -222048.8244 162.0341 -3074.2534 -2405.7798 921491.4634 -3074.2534 -2405.7798
ENERGY: 452 22246.2016 20536.0135 5723.8953 174.8859 -338927.1531 23378.0939 0.0000 0.0000 44452.9188 -222415.1441 161.7075 -266868.0629 -222059.6371 161.7075 -2659.9608 -2384.7569 921491.4634 -2659.9608 -2384.7569
ENERGY: 453 21399.8726 20641.1311 5722.2878 173.1350 -338392.7926 23354.5903 0.0000 0.0000 44683.7027 -222418.0731 162.5470 -267101.7758 -222043.5373 162.5470 -2048.3341 -2342.4669 921491.4634 -2048.3341 -2342.4669
ENERGY: 454 20248.3379 20654.1373 5720.2217 172.3637 -337567.1405 23320.6897 0.0000 0.0000 45008.1459 -222443.2443 163.7273 -267451.3902 -222041.8392 163.7273 -1453.4581 -2293.1452 921491.4634 -1453.4581 -2293.1452
ENERGY: 455 19486.7905 20584.7119 5718.4844 172.5169 -336790.6442 23290.4018 0.0000 0.0000 45086.5782 -222451.1604 164.0126 -267537.7386 -222040.8571 164.0126 -1151.8826 -2255.8573 921491.4634 -1151.8826 -2255.8573
ENERGY: 456 19493.3721 20440.6799 5717.7556 173.4248 -336350.1063 23274.9626 0.0000 0.0000 44811.4718 -222438.4394 163.0118 -267249.9112 -222055.3484 163.0118 -1305.5005 -2245.5824 921491.4634 -1305.5005 -2245.5824
ENERGY: 457 20047.4929 20251.9434 5718.5580 174.9241 -336395.8152 23277.8269 0.0000 0.0000 44521.8698 -222403.2001 161.9583 -266925.0699 -222049.4131 161.9583 -1906.4165 -2263.5014 921491.4634 -1906.4165 -2263.5014
ENERGY: 458 20585.8434 20019.2722 5720.7061 176.6081 -336835.0946 23294.7167 0.0000 0.0000 44632.7884 -222405.1598 162.3618 -267037.9482 -222051.2821 162.3618 -2684.6988 -2301.0428 921491.4634 -2684.6988 -2301.0428
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TIMING: 460 CPU: 216.657, 0.459478/step Wall: 216.657, 0.459478/step, 0.00510531 hours remaining, 3224.386719 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 -338014.3756 23341.7994 0.0000 0.0000 45423.8564 -222480.6115 165.2395 -267904.4679 -222064.6834 165.2395 -3669.8204 -2365.2414 921491.4634 -3669.8204 -2365.2414
ENERGY: 461 21862.8764 19507.1076 5732.5753 180.4333 -338251.6205 23355.3927 0.0000 0.0000 45154.6136 -222458.6218 164.2601 -267613.2353 -222058.0505 164.2601 -3556.1669 -2361.1802 921491.4634 -3556.1669 -2361.1802
ENERGY: 462 22264.2257 19487.8110 5736.4822 180.9531 -337988.7160 23351.1078 0.0000 0.0000 44559.9290 -222408.2073 162.0968 -266968.1362 -222056.7212 162.0968 -2954.8204 -2323.4253 921491.4634 -2954.8204 -2323.4253
ENERGY: 463 21821.1791 19513.9017 5738.9361 181.1160 -337284.1020 23326.9468 0.0000 0.0000 44313.4571 -222388.5651 161.2002 -266702.0222 -222054.6240 161.2002 -2012.4428 -2264.0781 921491.4634 -2012.4428 -2264.0781
ENERGY: 464 20535.2459 19559.9274 5739.2518 181.0096 -336389.3832 23291.1932 0.0000 0.0000 44654.0269 -222428.7283 162.4391 -267082.7553 -222058.5728 162.4391 -1050.9230 -2205.5271 921491.4634 -1050.9230 -2205.5271
ENERGY: 465 19322.7826 19631.8857 5737.2899 180.7155 -335701.1527 23259.7381 0.0000 0.0000 45094.5690 -222474.1718 164.0416 -267568.7408 -222052.9386 164.0416 -512.3350 -2174.4011 921491.4634 -512.3350 -2174.4011
ENERGY: 466 19088.4512 19708.3584 5733.2107 180.2808 -335443.7719 23245.0594 0.0000 0.0000 45020.7909 -222467.6205 163.7733 -267488.4114 -222052.9784 163.7733 -630.3317 -2182.6714 921491.4634 -630.3317 -2182.6714
ENERGY: 467 19841.8071 19783.1746 5727.6704 179.7757 -335721.0944 23249.4519 0.0000 0.0000 44523.6667 -222415.5481 161.9649 -266939.2147 -222054.3493 161.9649 -1393.6032 -2232.5927 921491.4634 -1393.6032 -2232.5927
ENERGY: 468 20761.8482 19845.4945 5721.5089 179.2779 -336451.5660 23265.8115 0.0000 0.0000 44291.6588 -222385.9661 161.1209 -266677.6249 -222056.3589 161.1209 -2508.6717 -2314.1343 921491.4634 -2508.6717 -2314.1343
ENERGY: 469 21236.3015 19910.2023 5715.6824 178.8504 -337458.3195 23284.3951 0.0000 0.0000 44720.3207 -222412.5671 162.6802 -267132.8877 -222046.0748 162.6802 -3596.7409 -2405.7975 921491.4634 -3596.7409 -2405.7975
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1732 19972.8935 5710.9491 178.5947 -338383.2501 23297.0663 0.0000 0.0000 45346.4578 -222466.1155 164.9580 -267812.5733 -222047.6087 164.9580 -4259.6999 -2477.6834 921491.4634 -4259.6999 -2477.6834
ENERGY: 471 21732.8680 20054.6835 5707.9626 178.5890 -338913.2444 23297.5075 0.0000 0.0000 45471.3369 -222470.2969 165.4122 -267941.6338 -222047.5357 165.4122 -4290.5687 -2504.3178 921491.4634 -4290.5687 -2504.3178
ENERGY: 472 22081.2363 20161.5550 5707.0091 178.9047 -338870.6757 23279.4482 0.0000 0.0000 45028.5299 -222433.9926 163.8014 -267462.5225 -222059.5055 163.8014 -3659.7364 -2479.9187 921491.4634 -3659.7364 -2479.9187
ENERGY: 473 21866.1362 20289.3423 5707.9843 179.6165 -338307.7180 23240.7355 0.0000 0.0000 44634.5176 -222389.3856 162.3681 -267023.9032 -222043.8536 162.3681 -2556.3619 -2408.1660 921491.4634 -2556.3619 -2408.1660
ENERGY: 474 20842.9703 20372.0982 5710.2160 180.7466 -337438.4540 23189.2340 0.0000 0.0000 44733.2309 -222409.9579 162.7272 -267143.1888 -222041.2617 162.7272 -1295.5527 -2316.2730 921491.4634 -1295.5527 -2316.2730
ENERGY: 475 19674.2080 20371.7670 5712.9876 182.2512 -336604.2300 23142.3810 0.0000 0.0000 45070.2139 -222450.4213 163.9531 -267520.6352 -222039.4527 163.9531 -344.6451 -2232.2127 921491.4634 -344.6451 -2232.2127
ENERGY: 476 19235.7864 20282.0271 5715.7683 184.0125 -336100.0891 23115.8460 0.0000 0.0000 45106.0631 -222460.5858 164.0835 -267566.6489 -222053.6135 164.0835 -92.4051 -2183.0654 921491.4634 -92.4051 -2183.0654
ENERGY: 477 19704.7252 20145.9810 5718.4976 185.9230 -336101.8778 23114.2934 0.0000 0.0000 44812.3205 -222420.1371 163.0149 -267232.4576 -222044.8408 163.0149 -667.4946 -2171.8229 921491.4634 -667.4946 -2171.8229
ENERGY: 478 20493.4776 19974.7636 5721.0254 187.7262 -336537.4026 23131.2455 0.0000 0.0000 44627.0331 -222402.1312 162.3409 -267029.1643 -222047.4104 162.3409 -1807.1604 -2198.7957 921491.4634 -1807.1604 -2198.7957
ENERGY: 479 21125.3057 19793.3954 5723.3295 189.2099 -337215.5830 23156.6768 0.0000 0.0000 44802.1577 -222425.5080 162.9779 -267227.6657 -222050.5457 162.9779 -3089.8516 -2246.7918 921491.4634 -3089.8516 -2246.7918
TIMING: 480 CPU: 225.85, 0.459661/step Wall: 225.85, 0.459661/step, 0.00255367 hours remaining, 3224.386719 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 21624.0327 19623.1964 5725.3111 190.1900 -337854.6778 23181.5115 0.0000 0.0000 45051.6813 -222458.7547 163.8856 -267510.4360 -222064.6207 163.8856 -4077.7326 -2291.4892 921491.4634 -4077.7326 -2291.4892
ENERGY: 481 22092.4856 19510.0434 5727.0952 190.6351 -338199.2475 23196.7957 0.0000 0.0000 45041.3365 -222440.8560 163.8480 -267482.1925 -222052.5263 163.8480 -4466.2394 -2305.6733 921491.4634 -4466.2394 -2305.6733
ENERGY: 482 22186.3470 19466.6797 5728.4964 190.3598 -338044.5414 23192.7473 0.0000 0.0000 44865.8516 -222414.0597 163.2096 -267279.9114 -222051.4110 163.2096 -4059.3098 -2278.0615 921491.4634 -4059.3098 -2278.0615
ENERGY: 483 21553.1413 19511.5749 5729.5660 189.3227 -337426.2182 23165.8739 0.0000 0.0000 44861.8967 -222414.8427 163.1953 -267276.7394 -222048.7669 163.1953 -2964.1723 -2216.4116 921491.4634 -2964.1723 -2216.4116
ENERGY: 484 20460.8925 19631.1944 5730.2465 187.5455 -336590.8882 23126.1350 0.0000 0.0000 45003.6029 -222451.2714 163.7107 -267454.8744 -222059.8739 163.7107 -1565.2425 -2143.1850 921491.4634 -1565.2425 -2143.1850
ENERGY: 485 19688.7720 19800.2996 5730.5256 185.2458 -335902.5863 23092.8470 0.0000 0.0000 44955.5721 -222449.3243 163.5360 -267404.8963 -222045.9603 163.5360 -422.1570 -2086.8736 921491.4634 -422.1570 -2086.8736
ENERGY: 486 19602.5428 19954.8181 5729.7198 182.4662 -335612.3564 23080.3807 0.0000 0.0000 44645.9111 -222416.5178 162.4096 -267062.4289 -222044.6757 162.4096 87.3180 -2070.0982 921491.4634 87.3180 -2070.0982
ENERGY: 487 19881.0926 20072.0217 5727.4347 179.4360 -335846.4478 23091.0544 0.0000 0.0000 44503.3489 -222392.0596 161.8910 -266895.4085 -222045.2404 161.8910 -192.2346 -2106.8841 921491.4634 -192.2346 -2106.8841
ENERGY: 488 20125.2097 20156.1364 5723.5441 176.4338 -336552.5449 23118.8616 0.0000 0.0000 44827.0555 -222425.3039 163.0685 -267252.3594 -222057.1936 163.0685 -1145.7533 -2194.6679 921491.4634 -1145.7533 -2194.6679
ENERGY: 489 20526.8870 20236.4611 5718.5748 173.8639 -337540.4653 23156.7310 0.0000 0.0000 45266.1004 -222461.8470 164.6656 -267727.9474 -222045.6083 164.6656 -2511.2403 -2316.7066 921491.4634 -2511.2403 -2316.7066
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7491 20292.9022 5712.8912 171.8438 -338458.1358 23196.4877 0.0000 0.0000 45213.5627 -222459.6991 164.4745 -267673.2618 -222048.2205 164.4745 -3823.4038 -2437.4154 921491.4634 -3823.4038 -2437.4154
ENERGY: 491 22430.4643 20312.1360 5707.3795 170.5404 -338984.5791 23226.0937 0.0000 0.0000 44733.0087 -222404.9566 162.7264 -267137.9653 -222049.4635 162.7264 -4629.6934 -2524.6214 921491.4634 -4629.6934 -2524.6214
ENERGY: 492 22612.9549 20289.6810 5702.9944 170.0208 -338937.5814 23232.7205 0.0000 0.0000 44542.1950 -222387.0149 162.0323 -266929.2099 -222060.3859 162.0323 -4606.8525 -2557.4730 921491.4634 -4606.8525 -2557.4730
ENERGY: 493 21558.2187 20260.7373 5700.7779 170.3201 -338358.0631 23214.0536 0.0000 0.0000 45033.8232 -222420.1324 163.8207 -267453.9556 -222046.5899 163.8207 -3796.3820 -2540.0996 921491.4634 -3796.3820 -2540.0996
ENERGY: 494 20068.3365 20225.0260 5700.9805 171.2193 -337454.3833 23183.0794 0.0000 0.0000 45622.2478 -222483.4938 165.9612 -268105.7415 -222044.0866 165.9612 -2500.8994 -2482.1069 921491.4634 -2500.8994 -2482.1069
ENERGY: 495 19383.2463 20186.8301 5703.5926 172.5416 -336566.9884 23159.4623 0.0000 0.0000 45484.1232 -222477.1923 165.4587 -267961.3155 -222041.5562 165.4587 -1249.6838 -2407.3056 921491.4634 -1249.6838 -2407.3056
ENERGY: 496 19722.4835 20130.6472 5708.0350 174.0933 -335998.7154 23154.2634 0.0000 0.0000 44699.5271 -222409.6658 162.6046 -267109.1929 -222049.0669 162.6046 -478.8999 -2343.4752 921491.4634 -478.8999 -2343.4752
ENERGY: 497 20212.6668 20059.9176 5713.4613 175.7242 -335952.5042 23166.3543 0.0000 0.0000 44261.0291 -222363.3509 161.0095 -266624.3800 -222042.7499 161.0095 -421.0233 -2316.7929 921491.4634 -421.0233 -2316.7929
ENERGY: 498 20182.0163 19957.1216 5718.5596 177.2604 -336366.4934 23189.3582 0.0000 0.0000 44728.2540 -222413.9232 162.7091 -267142.1772 -222044.5218 162.7091 -993.4679 -2331.6474 921491.4634 -993.4679 -2331.6474
ENERGY: 499 20158.0677 19847.7310 5722.4089 178.6361 -337058.4827 23219.2401 0.0000 0.0000 45439.2650 -222493.1338 165.2956 -267932.3988 -222047.2061 165.2956 -2020.8688 -2376.3392 921491.4634 -2020.8688 -2376.3392
Info: Benchmark time: 4 CPUs 0.459074 s/step 5.31336 days/ns 3224.39 MB memory
TIMING: 500 CPU: 234.969, 0.455948/step Wall: 234.969, 0.455948/step, 0 hours remaining, 3224.386719 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 20974.8938 19756.6586 5724.4523 179.8271 -337741.4196 23251.1005 0.0000 0.0000 45359.0782 -222495.4090 165.0039 -267854.4872 -222061.0908 165.0039 -3197.5168 -2425.4143 921491.4634 -3197.5168 -2425.4143
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, 3229.836 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.836 MB of memory in use
====================================================
WallClock: 241.814758 CPUTime: 241.814758 Memory: 3229.835938 MB
[Partition 0][Node 0] End of program
Application 88420630 resources: utime ~950s, stime ~19s, Rss ~127152, inblocks ~67011, outblocks ~72238
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins880975260534627018.sh
+ scp BW_REMOTE_4:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_4:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_4:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/memory
Finished: SUCCESS
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