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 ============== 54.2655
LDB: Largest compute 200 load 0.429622 is 1.2% of average load 36.815692
LDB: Average compute 0.051579 is 0.1% of average load 36.815692
LDB: Partitioning computes with target load 3.681569
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055258
LDB: ============== END OF LOAD BALANCING =============== 54.2677
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2686
Info: Initial time: 4 CPUs 0.473859 s/step 5.48448 days/ns 3221.56 MB memory
TIMING: 100 CPU: 48.3575, 0.472856/step Wall: 48.3575, 0.472856/step, 0.0525396 hours remaining, 3221.562500 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 ============== 63.7069
LDB: ============== END OF LOAD BALANCING =============== 63.707
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7075
TIMING: 120 CPU: 57.7938, 0.471814/step Wall: 57.7938, 0.471814/step, 0.0498026 hours remaining, 3221.765625 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 21874.8525 19195.4802 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9639 -222340.8739 155.6399 -265125.8378 -222213.1815 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.2274, 0.471679/step Wall: 67.2274, 0.471679/step, 0.0471679 hours remaining, 3221.937500 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: 160 CPU: 76.6479, 0.471024/step Wall: 76.6479, 0.471024/step, 0.0444856 hours remaining, 3222.226562 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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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: 180 CPU: 86.0561, 0.47041/step Wall: 86.0561, 0.47041/step, 0.0418142 hours remaining, 3222.226562 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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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 ============== 101.382
LDB: Largest compute 200 load 0.425112 is 1.2% of average load 36.634517
LDB: Average compute 0.051318 is 0.1% of average load 36.634517
LDB: TIME 101.384 LOAD: AVG 36.6345 MAX 37.6744 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.57 MB
LDB: TIME 101.386 LOAD: AVG 36.6345 MAX 37.5677 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.57 MB
LDB: ============== END OF LOAD BALANCING =============== 101.388
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.391
Info: Initial time: 4 CPUs 0.471054 s/step 5.45201 days/ns 3223.5 MB memory
TIMING: 200 CPU: 95.4728, 0.470834/step Wall: 95.4728, 0.470834/step, 0.0392362 hours remaining, 3223.500000 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: 104.897, 0.471213/step Wall: 104.897, 0.471213/step, 0.0366499 hours remaining, 3223.500000 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: 114.314, 0.470848/step Wall: 114.314, 0.470848/step, 0.0340057 hours remaining, 3223.500000 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: 246 20878.5482 19853.7024 5716.8932 174.1558 -334213.1204 21705.0850 0.0000 0.0000 43600.4181 -222284.3177 158.6063 -265884.7357 -222067.4294 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5287 19979.6440 5712.7400 177.5412 -334802.1841 21719.8454 0.0000 0.0000 44912.1912 -222431.6936 163.3782 -267343.8847 -222068.1393 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4924 20164.4297 5713.8450 181.3144 -335623.1353 21746.4311 0.0000 0.0000 46185.9362 -222595.6865 168.0117 -268781.6228 -222090.3127 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: 256 20899.4411 18950.9577 5693.4518 195.6570 -332975.5971 21757.6847 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 20029.5653 18878.1872 5681.1759 194.7976 -333481.0037 21780.2419 0.0000 0.0000 44488.5468 -222428.4890 161.8371 -266917.0359 -222060.1683 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5866 18882.0664 5673.2911 193.6684 -334373.1542 21817.5077 0.0000 0.0000 45796.2578 -222556.7762 166.5942 -268353.0340 -222062.0607 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 123.722, 0.470407/step Wall: 123.722, 0.470407/step, 0.0313605 hours remaining, 3223.804688 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: 264 19385.2261 20436.4305 5710.6950 187.5052 -334855.9511 21907.7772 0.0000 0.0000 44751.4783 -222476.8389 162.7936 -267228.3172 -222069.1983 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
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ENERGY: 267 19648.0905 20691.2679 5707.0583 187.8501 -334831.4856 21930.8374 0.0000 0.0000 44220.2169 -222446.1646 160.8610 -266666.3815 -222055.6585 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9160 20375.7516 5700.1930 187.9286 -335513.7450 21959.1257 0.0000 0.0000 44823.5377 -222504.2924 163.0557 -267327.8301 -222075.9875 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 -335921.4614 22015.0580 0.0000 0.0000 45607.7076 -222503.3109 165.9083 -268111.0186 -222081.1571 165.9083 -2551.9684 -2501.8805 921491.4634 -2551.9684 -2501.8805
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ENERGY: 276 19401.8502 19594.7506 5701.2546 182.4904 -333292.1279 21971.0410 0.0000 0.0000 44028.5271 -222412.2139 160.1637 -266440.7410 -222072.9394 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2971 19724.7158 5695.5210 182.9396 -333864.3450 21997.2387 0.0000 0.0000 44632.8112 -222481.8217 162.3619 -267114.6328 -222061.0987 162.3619 -2311.7544 -2498.0544 921491.4634 -2311.7544 -2498.0544
ENERGY: 278 20199.4576 19713.7758 5686.9122 183.6585 -334821.1000 22041.3359 0.0000 0.0000 44532.2540 -222463.7060 161.9961 -266995.9600 -222063.4130 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3650 19593.9429 5677.5176 184.5187 -335888.5797 22096.4199 0.0000 0.0000 43975.0878 -222376.7278 159.9693 -266351.8156 -222065.2022 159.9693 -4044.3212 -2682.8389 921491.4634 -4044.3212 -2682.8389
TIMING: 280 CPU: 133.113, 0.469538/step Wall: 133.113, 0.469538/step, 0.028694 hours remaining, 3223.804688 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 5721.5031 185.8229 -334658.1146 22176.6863 0.0000 0.0000 43785.6880 -222425.2211 159.2803 -266210.9090 -222054.0581 159.2803 -1306.7501 -2717.2846 921491.4634 -1306.7501 -2717.2846
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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 ============== 148.433
LDB: Largest compute 200 load 0.519045 is 1.1% of average load 45.765180
LDB: Average compute 0.064113 is 0.1% of average load 45.765180
LDB: TIME 148.435 LOAD: AVG 45.7652 MAX 47.042 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.16 MB
LDB: TIME 148.435 LOAD: AVG 45.7652 MAX 47.042 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.16 MB
LDB: TIME 148.45 LOAD: AVG 45.7652 MAX 46.2863 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.16 MB
LDB: ============== END OF LOAD BALANCING =============== 148.451
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.453
Info: Initial time: 4 CPUs 0.47013 s/step 5.44132 days/ns 3224.16 MB memory
TIMING: 300 CPU: 142.506, 0.46965/step Wall: 142.506, 0.46965/step, 0.0260917 hours remaining, 3224.160156 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 320 CPU: 151.74, 0.461681/step Wall: 151.74, 0.461681/step, 0.0230841 hours remaining, 3224.160156 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: 160.961, 0.461053/step Wall: 160.961, 0.461053/step, 0.0204912 hours remaining, 3224.160156 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 -334758.7695 22674.4079 0.0000 0.0000 44153.0887 -222416.6567 160.6168 -266569.7454 -222053.0964 160.6168 -1622.0261 -2446.8265 921491.4634 -1622.0261 -2446.8265
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TIMING: 360 CPU: 170.179, 0.460927/step Wall: 170.179, 0.460927/step, 0.017925 hours remaining, 3224.160156 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 21112.5814 20418.0336 5690.9151 182.1442 -338077.5513 22797.1677 0.0000 0.0000 45362.4569 -222514.2525 165.0162 -267876.7093 -222065.3877 165.0162 -3505.9503 -2622.8571 921491.4634 -3505.9503 -2622.8571
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ENERGY: 363 21303.6021 19794.1188 5692.1162 181.3427 -337235.0093 22818.0652 0.0000 0.0000 45033.6629 -222412.1015 163.8201 -267445.7644 -222049.5300 163.8201 -2242.6819 -2529.7063 921491.4634 -2242.6819 -2529.7063
ENERGY: 364 19323.8976 19612.6013 5699.8913 181.0103 -336175.2004 22790.5194 0.0000 0.0000 46034.3490 -222532.9315 167.4603 -268567.2805 -222068.5921 167.4603 -1420.0426 -2476.3757 921491.4634 -1420.0426 -2476.3757
ENERGY: 365 18830.5840 19548.3418 5710.7558 180.6857 -335316.0973 22775.7831 0.0000 0.0000 45760.0889 -222509.8579 166.4626 -268269.9468 -222057.4405 166.4626 -1100.2607 -2433.4823 921491.4634 -1100.2607 -2433.4823
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ENERGY: 367 20741.0595 19662.8832 5732.9484 180.1165 -335098.3159 22794.3495 0.0000 0.0000 43662.6186 -222324.3403 158.8326 -265986.9589 -222058.3716 158.8326 -2104.1272 -2437.9269 921491.4634 -2104.1272 -2437.9269
ENERGY: 368 20561.5936 19748.2118 5739.6691 179.8275 -335728.0874 22808.6653 0.0000 0.0000 44272.8407 -222417.2794 161.0524 -266690.1201 -222068.2913 161.0524 -2928.4884 -2487.3069 921491.4634 -2928.4884 -2487.3069
ENERGY: 369 20346.9679 19812.6204 5741.6369 179.5048 -336580.3308 22825.3360 0.0000 0.0000 45155.6307 -222518.6341 164.2638 -267674.2648 -222061.1002 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 21302.3707 19815.7282 5738.6028 179.1429 -337296.0555 22846.3051 0.0000 0.0000 44920.4941 -222493.4117 163.4084 -267413.9058 -222062.2626 163.4084 -4081.4435 -2576.8188 921491.4634 -4081.4435 -2576.8188
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ENERGY: 376 19884.0271 19962.1763 5703.2010 181.1433 -335321.8632 22772.8701 0.0000 0.0000 44434.3275 -222384.1178 161.6399 -266818.4453 -222050.5532 161.6399 -874.6220 -2439.6903 921491.4634 -874.6220 -2439.6903
ENERGY: 377 20646.4606 20251.1593 5706.5521 182.3248 -335763.5802 22794.3774 0.0000 0.0000 43848.2754 -222334.4305 159.5080 -266182.7059 -222041.4015 159.5080 -1819.5856 -2472.4986 921491.4634 -1819.5856 -2472.4986
ENERGY: 378 20473.8098 20495.6595 5711.4639 183.2952 -336584.2280 22821.5837 0.0000 0.0000 44474.7536 -222423.6623 161.7869 -266898.4159 -222044.3970 161.7869 -2972.9872 -2523.3499 921491.4634 -2972.9872 -2523.3499
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TIMING: 380 CPU: 179.387, 0.460411/step Wall: 179.387, 0.460411/step, 0.015347 hours remaining, 3224.160156 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 382 22844.1904 20220.4985 5718.3197 182.2157 -338010.6539 22930.5473 0.0000 0.0000 43766.5301 -222348.3522 159.2106 -266114.8823 -222051.0366 159.2106 -3524.7152 -2418.5490 921491.4634 -3524.7152 -2418.5490
ENERGY: 383 21263.6993 19910.9244 5714.6670 180.7420 -337128.0232 22911.2845 0.0000 0.0000 44707.9446 -222438.7614 162.6352 -267146.7060 -222048.1883 162.6352 -2023.0805 -2294.0133 921491.4634 -2023.0805 -2294.0133
ENERGY: 384 19625.4114 19596.0351 5710.5349 179.0647 -336052.0490 22884.2534 0.0000 0.0000 45539.1834 -222517.5660 165.6590 -268056.7494 -222062.0927 165.6590 -569.2380 -2166.9359 921491.4634 -569.2380 -2166.9359
ENERGY: 385 19327.8181 19356.8910 5707.7751 177.4354 -335210.6404 22871.6143 0.0000 0.0000 45299.7172 -222469.3891 164.7879 -267769.1063 -222051.0995 164.7879 215.3514 -2064.3637 921491.4634 215.3514 -2064.3637
ENERGY: 386 19981.2272 19220.9463 5707.6637 175.9385 -334865.1820 22880.7957 0.0000 0.0000 44519.8587 -222378.7518 161.9510 -266898.6105 -222051.0439 161.9510 122.6670 -2011.2429 921491.4634 122.6670 -2011.2429
ENERGY: 387 20367.2859 19202.4844 5710.9354 174.6759 -335109.8727 22905.2743 0.0000 0.0000 44377.1817 -222372.0351 161.4320 -266749.2168 -222053.0052 161.4320 -738.9585 -2019.1690 921491.4634 -738.9585 -2019.1690
ENERGY: 388 20282.3986 19280.0167 5717.2934 173.7038 -335824.1517 22938.2899 0.0000 0.0000 44972.7761 -222459.6731 163.5986 -267432.4492 -222067.4817 163.5986 -2063.8554 -2076.2821 921491.4634 -2063.8554 -2076.2821
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 390 21929.5052 19598.7448 5733.9032 172.7580 -337596.2513 23021.3361 0.0000 0.0000 44698.9837 -222441.0202 162.6026 -267140.0039 -222061.4795 162.6026 -4540.4924 -2229.7774 921491.4634 -4540.4924 -2229.7774
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ENERGY: 397 19906.7783 20200.7713 5721.4919 176.2273 -336102.8179 22990.0375 0.0000 0.0000 44712.8674 -222394.6443 162.6531 -267107.5117 -222042.6601 162.6531 -376.0862 -2327.2102 921491.4634 -376.0862 -2327.2102
ENERGY: 398 19692.8115 20133.3594 5716.9814 176.0456 -336812.3381 23014.0585 0.0000 0.0000 45592.7321 -222486.3497 165.8538 -268079.0818 -222045.7223 165.8538 -1710.2236 -2443.6965 921491.4634 -1710.2236 -2443.6965
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LDB: ============= START OF LOAD BALANCING ============== 194.55
LDB: Largest compute 230 load 0.525249 is 1.2% of average load 45.656022
LDB: Average compute 0.063933 is 0.1% of average load 45.656022
LDB: TIME 194.552 LOAD: AVG 45.656 MAX 46.0974 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.16 MB
LDB: TIME 194.553 LOAD: AVG 45.656 MAX 46.0974 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.16 MB
LDB: TIME 194.553 LOAD: AVG 45.656 MAX 46.0974 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.16 MB
LDB: ============== END OF LOAD BALANCING =============== 194.553
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.554
Info: Benchmark time: 4 CPUs 0.460913 s/step 5.33465 days/ns 3224.16 MB memory
TIMING: 400 CPU: 188.601, 0.4607/step Wall: 188.601, 0.4607/step, 0.0127972 hours remaining, 3224.160156 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 21983.9556 19981.4882 5714.2278 174.7230 -338264.6728 23090.3528 0.0000 0.0000 44890.2682 -222429.6571 163.2985 -267319.9254 -222060.6832 163.2985 -4748.6078 -2656.9997 921491.4634 -4748.6078 -2656.9997
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ENERGY: 402 22444.0479 19835.9106 5715.8942 173.8391 -338107.6286 23109.6379 0.0000 0.0000 44436.8098 -222391.4891 161.6489 -266828.2989 -222049.2226 161.6489 -4939.3794 -2681.7024 921491.4634 -4939.3794 -2681.7024
ENERGY: 403 20784.9695 19778.4825 5715.7218 174.2695 -337239.9783 23077.8403 0.0000 0.0000 45225.5962 -222483.0985 164.5183 -267708.6947 -222046.6854 164.5183 -3613.5977 -2605.7427 921491.4634 -3613.5977 -2605.7427
ENERGY: 404 19687.5954 19735.4026 5713.8114 175.5084 -336169.1142 23038.2902 0.0000 0.0000 45313.8391 -222504.6672 164.8393 -267818.5063 -222060.2374 164.8393 -1967.0747 -2494.0438 921491.4634 -1967.0747 -2494.0438
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ENERGY: 406 20210.3503 19614.0442 5704.4964 180.4779 -334953.8238 22994.4765 0.0000 0.0000 43902.7661 -222347.2124 159.7062 -266249.9785 -222046.2407 159.7062 66.0354 -2300.4796 921491.4634 66.0354 -2300.4796
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ENERGY: 408 19735.8469 19387.6643 5692.2151 187.5226 -335902.8216 23017.8176 0.0000 0.0000 45394.4117 -222487.3433 165.1324 -267881.7550 -222063.5313 165.1324 -920.8280 -2294.1555 921491.4634 -920.8280 -2294.1555
ENERGY: 409 20350.1188 19376.4607 5688.4775 191.1593 -336896.6845 23057.9925 0.0000 0.0000 45733.6054 -222498.8705 166.3663 -268232.4759 -222051.6706 166.3663 -2367.4919 -2346.9324 921491.4634 -2367.4919 -2346.9324
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 19470.1801 5687.6649 194.4179 -337813.1845 23106.2032 0.0000 0.0000 45077.0713 -222427.1261 163.9780 -267504.1974 -222054.6428 163.9780 -3838.6211 -2402.0239 921491.4634 -3838.6211 -2402.0239
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ENERGY: 413 21130.1419 20138.5247 5699.9334 199.7191 -337872.5322 23125.1119 0.0000 0.0000 45113.2142 -222465.8870 164.1095 -267579.1012 -222055.3454 164.1095 -3850.6269 -2398.9548 921491.4634 -3850.6269 -2398.9548
ENERGY: 414 19987.3858 20381.5506 5705.1135 199.5118 -337122.7801 23094.4561 0.0000 0.0000 45271.6526 -222483.1098 164.6858 -267754.7624 -222052.1624 164.6858 -2501.3241 -2333.9463 921491.4634 -2501.3241 -2333.9463
ENERGY: 415 19745.2666 20572.1259 5708.7452 198.1487 -336456.1976 23071.1994 0.0000 0.0000 44733.2273 -222427.4846 162.7272 -267160.7118 -222049.0347 162.7272 -1174.6452 -2266.5615 921491.4634 -1174.6452 -2266.5615
ENERGY: 416 19942.3168 20661.9897 5710.0857 195.6953 -336157.5865 23063.1718 0.0000 0.0000 44200.2850 -222384.0422 160.7885 -266584.3272 -222052.9645 160.7885 -282.7613 -2224.6897 921491.4634 -282.7613 -2224.6897
ENERGY: 417 20031.3748 20631.3210 5709.0494 192.4696 -336373.1079 23072.1101 0.0000 0.0000 44338.4619 -222398.3211 161.2911 -266736.7830 -222044.6994 161.2911 -112.4553 -2227.1699 921491.4634 -112.4553 -2227.1699
ENERGY: 418 20154.6649 20457.0910 5705.5847 188.6536 -336970.7871 23098.6728 0.0000 0.0000 44915.1422 -222450.9779 163.3889 -267366.1201 -222046.7094 163.3889 -671.8546 -2269.9921 921491.4634 -671.8546 -2269.9921
ENERGY: 419 20790.7633 20185.5523 5700.4810 184.6054 -337717.8760 23139.8025 0.0000 0.0000 45250.3100 -222466.3614 164.6082 -267716.6714 -222049.5951 164.6082 -1783.9422 -2336.6464 921491.4634 -1783.9422 -2336.6464
TIMING: 420 CPU: 197.789, 0.459377/step Wall: 197.789, 0.459377/step, 0.0102084 hours remaining, 3224.160156 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 22275.7613 19449.5347 5688.9976 174.4058 -338225.0317 23208.5477 0.0000 0.0000 45004.7086 -222423.0759 163.7148 -267427.7845 -222052.8451 163.7148 -4363.1152 -2465.6373 921491.4634 -4363.1152 -2465.6373
ENERGY: 423 21418.8986 19324.4271 5689.6736 172.2145 -337416.8958 23180.6041 0.0000 0.0000 45183.9713 -222447.1065 164.3669 -267631.0778 -222051.5234 164.3669 -3955.8307 -2434.9306 921491.4634 -3955.8307 -2434.9306
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ENERGY: 427 19598.5314 19595.2898 5707.1504 168.7509 -335498.4317 23074.5007 0.0000 0.0000 44915.2774 -222438.9311 163.3894 -267354.2085 -222048.7339 163.3894 -741.9009 -2207.6355 921491.4634 -741.9009 -2207.6355
ENERGY: 428 20140.4228 19760.4170 5710.4628 168.5259 -336199.9850 23087.7677 0.0000 0.0000 44884.2592 -222448.1297 163.2766 -267332.3889 -222058.0549 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
ENERGY: 430 22013.9872 20024.3736 5712.1700 168.1897 -338096.9202 23149.4492 0.0000 0.0000 44626.3098 -222402.4407 162.3383 -267028.7505 -222047.3915 162.3383 -2472.2456 -2268.0464 921491.4634 -2472.2456 -2268.0464
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ENERGY: 432 21768.3703 20188.6723 5710.3546 168.1086 -338651.2100 23176.0844 0.0000 0.0000 45177.9909 -222461.6287 164.3451 -267639.6197 -222065.9060 164.3451 -3350.2742 -2296.1498 921491.4634 -3350.2742 -2296.1498
ENERGY: 433 21200.9073 20275.9664 5710.3763 168.4633 -338164.0636 23162.2909 0.0000 0.0000 45192.9282 -222453.1312 164.3995 -267646.0595 -222052.5984 164.3995 -3187.3734 -2272.1277 921491.4634 -3187.3734 -2272.1277
ENERGY: 434 20730.3414 20338.1500 5711.6061 169.3247 -337394.2702 23140.7733 0.0000 0.0000 44883.0995 -222420.9753 163.2724 -267304.0748 -222051.1464 163.2724 -2694.3108 -2227.7886 921491.4634 -2694.3108 -2227.7886
ENERGY: 435 20235.2201 20362.4017 5714.0003 170.8455 -336680.6553 23123.4095 0.0000 0.0000 44675.9837 -222398.7946 162.5190 -267074.7783 -222049.5890 162.5190 -2061.3583 -2179.8952 921491.4634 -2061.3583 -2179.8952
ENERGY: 436 19670.9241 20349.9983 5717.2345 173.0864 -336303.8809 23119.9076 0.0000 0.0000 44847.0983 -222425.6317 163.1414 -267272.7300 -222059.6959 163.1414 -1520.6598 -2145.1617 921491.4634 -1520.6598 -2145.1617
ENERGY: 437 19434.5516 20329.5093 5720.9893 175.9827 -336411.9783 23136.3866 0.0000 0.0000 45159.2687 -222455.2900 164.2770 -267614.5588 -222050.7502 164.2770 -1319.1169 -2134.4849 921491.4634 -1319.1169 -2134.4849
ENERGY: 438 19935.1533 20278.6096 5724.6883 179.3848 -336899.4575 23173.5517 0.0000 0.0000 45148.1324 -222459.9373 164.2365 -267608.0697 -222051.5668 164.2365 -1493.0941 -2145.0881 921491.4634 -1493.0941 -2145.0881
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TIMING: 440 CPU: 206.968, 0.45898/step Wall: 206.968, 0.45898/step, 0.00764966 hours remaining, 3224.160156 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 22071.5684 20036.2370 5729.7527 186.7201 -338123.1810 23276.2484 0.0000 0.0000 44417.5462 -222405.1082 161.5788 -266822.6544 -222059.4776 161.5788 -2408.4615 -2197.9673 921491.4634 -2408.4615 -2197.9673
ENERGY: 441 22355.5486 19860.0407 5730.3488 190.1145 -338361.1718 23313.2043 0.0000 0.0000 44502.6967 -222409.2182 161.8886 -266911.9149 -222050.0863 161.8886 -2716.1030 -2221.5315 921491.4634 -2716.1030 -2221.5315
ENERGY: 442 21853.6118 19664.5347 5729.4854 192.9411 -338090.1535 23327.1566 0.0000 0.0000 44880.6322 -222441.7916 163.2634 -267322.4238 -222049.7758 163.2634 -2710.5578 -2229.0698 921491.4634 -2710.5578 -2229.0698
ENERGY: 443 21064.3316 19487.0721 5727.6164 194.9329 -337369.3151 23320.0156 0.0000 0.0000 45118.1107 -222457.2357 164.1273 -267575.3464 -222048.5998 164.1273 -2448.1651 -2220.3533 921491.4634 -2448.1651 -2220.3533
ENERGY: 444 20449.3364 19357.2688 5725.4095 195.8735 -336464.1921 23301.5275 0.0000 0.0000 44987.7176 -222447.0589 163.6530 -267434.7765 -222057.9798 163.6530 -2090.2100 -2206.4400 921491.4634 -2090.2100 -2206.4400
ENERGY: 445 20125.5608 19307.2516 5723.6513 195.6942 -335759.3913 23283.8137 0.0000 0.0000 44708.7154 -222414.7042 162.6380 -267123.4197 -222046.5429 162.6380 -1846.9627 -2201.6927 921491.4634 -1846.9627 -2201.6927
ENERGY: 446 19947.6805 19324.9004 5722.5430 194.3235 -335494.5707 23276.0449 0.0000 0.0000 44620.2945 -222408.7839 162.3164 -267029.0784 -222046.1621 162.3164 -1800.7519 -2216.7295 921491.4634 -1800.7519 -2216.7295
ENERGY: 447 19914.2850 19416.0208 5722.2107 191.8641 -335769.4399 23282.7456 0.0000 0.0000 44816.5087 -222425.8050 163.0301 -267242.3138 -222046.8343 163.0301 -1993.3113 -2253.0604 921491.4634 -1993.3113 -2253.0604
ENERGY: 448 20187.5923 19583.6797 5722.5764 188.5554 -336503.1799 23303.8902 0.0000 0.0000 45065.6673 -222451.2185 163.9365 -267516.8858 -222059.3480 163.9365 -2372.1879 -2303.7899 921491.4634 -2372.1879 -2303.7899
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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 20108.1298 5724.4776 181.0897 -338419.3249 23364.6242 0.0000 0.0000 44854.3097 -222432.2086 163.1677 -267286.5183 -222048.7860 163.1677 -3116.6757 -2394.3896 921491.4634 -3116.6757 -2394.3896
ENERGY: 451 22355.5901 20357.7254 5724.7144 177.6517 -338952.0908 23381.8006 0.0000 0.0000 44542.6986 -222411.9100 162.0341 -266954.6086 -222048.8246 162.0341 -3074.2533 -2405.7798 921491.4634 -3074.2533 -2405.7798
ENERGY: 452 22246.2015 20536.0135 5723.8953 174.8859 -338927.1541 23378.0942 0.0000 0.0000 44452.9194 -222415.1443 161.7075 -266868.0637 -222059.6374 161.7075 -2659.9607 -2384.7570 921491.4634 -2659.9607 -2384.7570
ENERGY: 453 21399.8727 20641.1312 5722.2878 173.1350 -338392.7939 23354.5906 0.0000 0.0000 44683.7031 -222418.0734 162.5470 -267101.7765 -222043.5375 162.5470 -2048.3340 -2342.4670 921491.4634 -2048.3340 -2342.4670
ENERGY: 454 20248.3381 20654.1375 5720.2217 172.3637 -337567.1420 23320.6901 0.0000 0.0000 45008.1464 -222443.2445 163.7273 -267451.3909 -222041.8395 163.7273 -1453.4581 -2293.1452 921491.4634 -1453.4581 -2293.1452
ENERGY: 455 19486.7906 20584.7121 5718.4844 172.5169 -336790.6459 23290.4023 0.0000 0.0000 45086.5789 -222451.1607 164.0126 -267537.7396 -222040.8574 164.0126 -1151.8826 -2255.8573 921491.4634 -1151.8826 -2255.8573
ENERGY: 456 19493.3721 20440.6801 5717.7556 173.4248 -336350.1080 23274.9631 0.0000 0.0000 44811.4727 -222438.4396 163.0118 -267249.9123 -222055.3486 163.0118 -1305.5004 -2245.5823 921491.4634 -1305.5004 -2245.5823
ENERGY: 457 20047.4930 20251.9434 5718.5580 174.9241 -336395.8169 23277.8275 0.0000 0.0000 44521.8706 -222403.2003 161.9583 -266925.0709 -222049.4133 161.9583 -1906.4165 -2263.5013 921491.4634 -1906.4165 -2263.5013
ENERGY: 458 20585.8436 20019.2722 5720.7060 176.6081 -336835.0963 23294.7173 0.0000 0.0000 44632.7891 -222405.1600 162.3618 -267037.9490 -222051.2823 162.3618 -2684.6988 -2301.0427 921491.4634 -2684.6988 -2301.0427
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TIMING: 460 CPU: 216.145, 0.458811/step Wall: 216.145, 0.458811/step, 0.0050979 hours remaining, 3224.160156 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 19597.9062 5728.0971 179.4910 -338014.3772 23341.8002 0.0000 0.0000 45423.8570 -222480.6118 165.2395 -267904.4688 -222064.6837 165.2395 -3669.8203 -2365.2413 921491.4634 -3669.8203 -2365.2413
ENERGY: 461 21862.8763 19507.1075 5732.5753 180.4333 -338251.6220 23355.3936 0.0000 0.0000 45154.6141 -222458.6221 164.2601 -267613.2362 -222058.0508 164.2601 -3556.1667 -2361.1800 921491.4634 -3556.1667 -2361.1800
ENERGY: 462 22264.2256 19487.8109 5736.4822 180.9531 -337988.7174 23351.1087 0.0000 0.0000 44559.9293 -222408.2075 162.0968 -266968.1368 -222056.7215 162.0968 -2954.8201 -2323.4251 921491.4634 -2954.8201 -2323.4251
ENERGY: 463 21821.1793 19513.9015 5738.9361 181.1160 -337284.1032 23326.9479 0.0000 0.0000 44313.4571 -222388.5653 161.2002 -266702.0225 -222054.6243 161.2002 -2012.4424 -2264.0778 921491.4634 -2012.4424 -2264.0778
ENERGY: 464 20535.2460 19559.9272 5739.2518 181.0096 -336389.3846 23291.1943 0.0000 0.0000 44654.0268 -222428.7289 162.4391 -267082.7557 -222058.5733 162.4391 -1050.9228 -2205.5270 921491.4634 -1050.9228 -2205.5270
ENERGY: 465 19322.7826 19631.8853 5737.2899 180.7155 -335701.1540 23259.7393 0.0000 0.0000 45094.5690 -222474.1724 164.0416 -267568.7414 -222052.9392 164.0416 -512.3348 -2174.4010 921491.4634 -512.3348 -2174.4010
ENERGY: 466 19088.4510 19708.3580 5733.2107 180.2808 -335443.7732 23245.0606 0.0000 0.0000 45020.7911 -222467.6211 163.7733 -267488.4122 -222052.9790 163.7733 -630.3316 -2182.6712 921491.4634 -630.3316 -2182.6712
ENERGY: 467 19841.8071 19783.1741 5727.6704 179.7757 -335721.0958 23249.4532 0.0000 0.0000 44523.6667 -222415.5487 161.9649 -266939.2154 -222054.3499 161.9649 -1393.6031 -2232.5926 921491.4634 -1393.6031 -2232.5926
ENERGY: 468 20761.8483 19845.4941 5721.5089 179.2779 -336451.5670 23265.8128 0.0000 0.0000 44291.6586 -222385.9663 161.1209 -266677.6249 -222056.3591 161.1209 -2508.6715 -2314.1340 921491.4634 -2508.6715 -2314.1340
ENERGY: 469 21236.3017 19910.2021 5715.6824 178.8504 -337458.3206 23284.3965 0.0000 0.0000 44720.3203 -222412.5673 162.6802 -267132.8876 -222046.0751 162.6802 -3596.7406 -2405.7972 921491.4634 -3596.7406 -2405.7972
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1730 19972.8934 5710.9491 178.5947 -338383.2511 23297.0676 0.0000 0.0000 45346.4575 -222466.1157 164.9579 -267812.5732 -222047.6089 164.9579 -4259.6995 -2477.6831 921491.4634 -4259.6995 -2477.6831
ENERGY: 471 21732.8677 20054.6835 5707.9626 178.5890 -338913.2456 23297.5089 0.0000 0.0000 45471.3366 -222470.2971 165.4122 -267941.6338 -222047.5360 165.4122 -4290.5683 -2504.3175 921491.4634 -4290.5683 -2504.3175
ENERGY: 472 22081.2361 20161.5551 5707.0091 178.9047 -338870.6772 23279.4496 0.0000 0.0000 45028.5294 -222433.9931 163.8014 -267462.5226 -222059.5060 163.8014 -3659.7359 -2479.9183 921491.4634 -3659.7359 -2479.9183
ENERGY: 473 21866.1363 20289.3426 5707.9843 179.6165 -338307.7196 23240.7369 0.0000 0.0000 44634.5170 -222389.3861 162.3681 -267023.9031 -222043.8541 162.3681 -2556.3614 -2408.1656 921491.4634 -2556.3614 -2408.1656
ENERGY: 474 20842.9704 20372.0985 5710.2160 180.7466 -337438.4557 23189.2354 0.0000 0.0000 44733.2304 -222409.9583 162.7272 -267143.1887 -222041.2621 162.7272 -1295.5523 -2316.2727 921491.4634 -1295.5523 -2316.2727
ENERGY: 475 19674.2079 20371.7672 5712.9876 182.2512 -336604.2317 23142.3824 0.0000 0.0000 45070.2136 -222450.4218 163.9530 -267520.6354 -222039.4532 163.9530 -344.6447 -2232.2125 921491.4634 -344.6447 -2232.2125
ENERGY: 476 19235.7862 20282.0271 5715.7683 184.0125 -336100.0908 23115.8474 0.0000 0.0000 45106.0630 -222460.5862 164.0835 -267566.6493 -222053.6139 164.0835 -92.4048 -2183.0651 921491.4634 -92.4048 -2183.0651
ENERGY: 477 19704.7251 20145.9810 5718.4976 185.9230 -336101.8794 23114.2947 0.0000 0.0000 44812.3204 -222420.1376 163.0149 -267232.4580 -222044.8412 163.0149 -667.4944 -2171.8226 921491.4634 -667.4944 -2171.8226
ENERGY: 478 20493.4778 19974.7635 5721.0254 187.7262 -336537.4041 23131.2468 0.0000 0.0000 44627.0328 -222402.1316 162.3409 -267029.1644 -222047.4108 162.3409 -1807.1603 -2198.7954 921491.4634 -1807.1603 -2198.7954
ENERGY: 479 21125.3059 19793.3954 5723.3295 189.2099 -337215.5843 23156.6780 0.0000 0.0000 44802.1573 -222425.5084 162.9779 -267227.6657 -222050.5461 162.9779 -3089.8514 -2246.7915 921491.4634 -3089.8514 -2246.7915
TIMING: 480 CPU: 225.315, 0.458526/step Wall: 225.315, 0.458526/step, 0.00254737 hours remaining, 3224.160156 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 19623.1963 5725.3111 190.1901 -337854.6792 23181.5126 0.0000 0.0000 45051.6809 -222458.7554 163.8856 -267510.4363 -222064.6214 163.8856 -4077.7326 -2291.4891 921491.4634 -4077.7326 -2291.4891
ENERGY: 481 22092.4854 19510.0432 5727.0952 190.6351 -338199.2487 23196.7967 0.0000 0.0000 45041.3362 -222440.8567 163.8480 -267482.1929 -222052.5270 163.8480 -4466.2393 -2305.6732 921491.4634 -4466.2393 -2305.6732
ENERGY: 482 22186.3468 19466.6794 5728.4964 190.3598 -338044.5424 23192.7483 0.0000 0.0000 44865.8514 -222414.0605 163.2096 -267279.9118 -222051.4117 163.2096 -4059.3097 -2278.0615 921491.4634 -4059.3097 -2278.0615
ENERGY: 483 21553.1413 19511.5744 5729.5660 189.3227 -337426.2191 23165.8748 0.0000 0.0000 44861.8964 -222414.8434 163.1952 -267276.7398 -222048.7676 163.1952 -2964.1721 -2216.4116 921491.4634 -2964.1721 -2216.4116
ENERGY: 484 20460.8925 19631.1938 5730.2465 187.5455 -336590.8883 23126.1359 0.0000 0.0000 45003.6028 -222451.2713 163.7107 -267454.8741 -222059.8738 163.7107 -1565.2420 -2143.1845 921491.4634 -1565.2420 -2143.1845
ENERGY: 485 19688.7721 19800.2990 5730.5256 185.2458 -335902.5865 23092.8478 0.0000 0.0000 44955.5722 -222449.3241 163.5360 -267404.8963 -222045.9601 163.5360 -422.1565 -2086.8732 921491.4634 -422.1565 -2086.8732
ENERGY: 486 19602.5428 19954.8174 5729.7197 182.4662 -335612.3567 23080.3815 0.0000 0.0000 44645.9114 -222416.5177 162.4096 -267062.4291 -222044.6756 162.4096 87.3184 -2070.0978 921491.4634 87.3184 -2070.0978
ENERGY: 487 19881.0927 20072.0211 5727.4347 179.4360 -335846.4482 23091.0551 0.0000 0.0000 44503.3492 -222392.0595 161.8910 -266895.4087 -222045.2402 161.8910 -192.2343 -2106.8837 921491.4634 -192.2343 -2106.8837
ENERGY: 488 20125.2099 20156.1360 5723.5441 176.4338 -336552.5460 23118.8623 0.0000 0.0000 44827.0557 -222425.3043 163.0685 -267252.3600 -222057.1940 163.0685 -1145.7533 -2194.6679 921491.4634 -1145.7533 -2194.6679
ENERGY: 489 20526.8871 20236.4608 5718.5748 173.8639 -337540.4663 23156.7316 0.0000 0.0000 45266.1005 -222461.8475 164.6656 -267727.9480 -222045.6087 164.6656 -2511.2404 -2316.7066 921491.4634 -2511.2404 -2316.7066
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7489 20292.9021 5712.8912 171.8438 -338458.1369 23196.4883 0.0000 0.0000 45213.5630 -222459.6995 164.4745 -267673.2626 -222048.2209 164.4745 -3823.4038 -2437.4154 921491.4634 -3823.4038 -2437.4154
ENERGY: 491 22430.4640 20312.1360 5707.3795 170.5404 -338984.5802 23226.0942 0.0000 0.0000 44733.0090 -222404.9570 162.7264 -267137.9661 -222049.4640 162.7264 -4629.6933 -2524.6214 921491.4634 -4629.6933 -2524.6214
ENERGY: 492 22612.9548 20289.6810 5702.9944 170.0208 -338937.5823 23232.7210 0.0000 0.0000 44542.1953 -222387.0151 162.0323 -266929.2104 -222060.3861 162.0323 -4606.8523 -2557.4729 921491.4634 -4606.8523 -2557.4729
ENERGY: 493 21558.2188 20260.7374 5700.7779 170.3200 -338358.0641 23214.0540 0.0000 0.0000 45033.8233 -222420.1326 163.8207 -267453.9560 -222046.5901 163.8207 -3796.3818 -2540.0996 921491.4634 -3796.3818 -2540.0996
ENERGY: 494 20068.3366 20225.0261 5700.9805 171.2193 -337454.3843 23183.0798 0.0000 0.0000 45622.2480 -222483.4940 165.9612 -268105.7420 -222044.0868 165.9612 -2500.8992 -2482.1069 921491.4634 -2500.8992 -2482.1069
ENERGY: 495 19383.2463 20186.8300 5703.5926 172.5416 -336566.9895 23159.4628 0.0000 0.0000 45484.1236 -222477.1925 165.4587 -267961.3162 -222041.5564 165.4587 -1249.6838 -2407.3056 921491.4634 -1249.6838 -2407.3056
ENERGY: 496 19722.4835 20130.6472 5708.0350 174.0933 -335998.7165 23154.2638 0.0000 0.0000 44699.5275 -222409.6661 162.6046 -267109.1936 -222049.0671 162.6046 -478.8999 -2343.4751 921491.4634 -478.8999 -2343.4751
ENERGY: 497 20212.6669 20059.9176 5713.4613 175.7242 -335952.5051 23166.3547 0.0000 0.0000 44261.0293 -222363.3511 161.0095 -266624.3805 -222042.7501 161.0095 -421.0234 -2316.7929 921491.4634 -421.0234 -2316.7929
ENERGY: 498 20182.0165 19957.1216 5718.5596 177.2604 -336366.4941 23189.3586 0.0000 0.0000 44728.2540 -222413.9234 162.7091 -267142.1774 -222044.5221 162.7091 -993.4681 -2331.6474 921491.4634 -993.4681 -2331.6474
ENERGY: 499 20158.0677 19847.7309 5722.4089 178.6361 -337058.4832 23219.2405 0.0000 0.0000 45439.2650 -222493.1340 165.2956 -267932.3990 -222047.2063 165.2956 -2020.8689 -2376.3392 921491.4634 -2020.8689 -2376.3392
Info: Benchmark time: 4 CPUs 0.458076 s/step 5.30181 days/ns 3224.16 MB memory
TIMING: 500 CPU: 234.409, 0.454697/step Wall: 234.409, 0.454697/step, 0 hours remaining, 3224.160156 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8936 19756.6585 5724.4523 179.8271 -337741.4199 23251.1009 0.0000 0.0000 45359.0784 -222495.4092 165.0039 -267854.4876 -222061.0910 165.0039 -3197.5167 -2425.4142 921491.4634 -3197.5167 -2425.4142
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, 3229.453 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.453 MB of memory in use
====================================================
WallClock: 241.248688 CPUTime: 241.248688 Memory: 3229.453125 MB
[Partition 0][Node 0] End of program
Application 89119271 resources: utime ~949s, stime ~18s, Rss ~127080, inblocks ~67011, outblocks ~72238
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins6051151105048265829.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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