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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 ============== 54.6406
LDB: Largest compute 200 load 0.432576 is 1.2% of average load 36.798355
LDB: Average compute 0.051553 is 0.1% of average load 36.798355
LDB: Partitioning computes with target load 3.679835
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.054999
LDB: ============== END OF LOAD BALANCING =============== 54.6427
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.6436
Info: Initial time: 4 CPUs 0.475542 s/step 5.50396 days/ns 3221.62 MB memory
TIMING: 100 CPU: 48.5284, 0.474671/step Wall: 48.5284, 0.474671/step, 0.0527412 hours remaining, 3221.617188 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 64.1141
LDB: ============== END OF LOAD BALANCING =============== 64.1142
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.1146
TIMING: 120 CPU: 57.9963, 0.473393/step Wall: 57.9963, 0.473393/step, 0.0499693 hours remaining, 3221.746094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 138 21874.8524 19195.4802 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9638 -222340.8739 155.6399 -265125.8377 -222213.1815 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.4641, 0.473389/step Wall: 67.4641, 0.473389/step, 0.0473389 hours remaining, 3222.089844 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: 76.9159, 0.472593/step Wall: 76.9159, 0.472593/step, 0.0446337 hours remaining, 3222.253906 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 21917.7899 18733.9560 5737.6245 154.5770 -332975.2977 21015.2132 0.0000 0.0000 43101.1545 -222314.9826 156.7902 -265416.1370 -222126.1323 156.7902 -2936.2256 -2665.7683 921491.4634 -2936.2256 -2665.7683
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TIMING: 180 CPU: 86.3605, 0.472231/step Wall: 86.3605, 0.472231/step, 0.0419761 hours remaining, 3222.394531 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 -332240.0938 21043.7459 0.0000 0.0000 44391.5886 -222435.3695 161.4844 -266826.9581 -222129.2892 161.4844 -2596.4731 -2731.4263 921491.4634 -2596.4731 -2731.4263
ENERGY: 187 22073.2966 19471.4302 5678.7398 184.6336 -333156.1128 21076.9265 0.0000 0.0000 42449.0056 -222222.0805 154.4178 -264671.0861 -222130.9084 154.4178 -3641.8535 -2802.0866 921491.4634 -3641.8535 -2802.0866
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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: 197 21700.3669 19122.7581 5714.1451 184.7200 -332668.2732 21129.4588 0.0000 0.0000 42574.3653 -222242.4590 154.8738 -264816.8243 -222086.7183 154.8738 -3040.7436 -2596.5494 921491.4634 -3040.7436 -2596.5494
ENERGY: 198 21224.0060 18800.3006 5711.3574 186.3640 -333385.4999 21161.1534 0.0000 0.0000 43911.2862 -222391.0323 159.7372 -266302.3186 -222090.4394 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.924
LDB: Largest compute 200 load 0.427680 is 1.2% of average load 36.616263
LDB: Average compute 0.051290 is 0.1% of average load 36.616263
LDB: TIME 101.926 LOAD: AVG 36.6163 MAX 37.8096 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.71 MB
LDB: TIME 101.928 LOAD: AVG 36.6163 MAX 37.6067 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.71 MB
LDB: ============== END OF LOAD BALANCING =============== 101.93
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.933
Info: Initial time: 4 CPUs 0.472702 s/step 5.47109 days/ns 3223.88 MB memory
TIMING: 200 CPU: 95.8085, 0.4724/step Wall: 95.8085, 0.4724/step, 0.0393666 hours remaining, 3223.878906 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: 202 23622.8116 18850.8450 5722.5980 192.1474 -334305.3008 21243.2752 0.0000 0.0000 42432.5587 -222241.0649 154.3580 -264673.6236 -222096.8293 154.3580 -3005.0519 -2588.0014 921491.4634 -3005.0519 -2588.0014
ENERGY: 203 20743.8945 19130.0390 5729.2400 192.0764 -333501.9374 21215.8254 0.0000 0.0000 44059.6985 -222431.1636 160.2771 -266490.8621 -222093.6429 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6124 19486.9556 5734.1463 191.2124 -332722.2200 21188.8403 0.0000 0.0000 45629.4718 -222628.9812 165.9875 -268258.4530 -222116.7004 165.9875 452.9933 -2462.2930 921491.4634 452.9933 -2462.2930
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ENERGY: 208 20293.2702 20371.8903 5718.1572 182.8654 -334789.2378 21322.2410 0.0000 0.0000 44428.6269 -222472.1867 161.6191 -266900.8136 -222122.6316 161.6191 -3669.0642 -2719.7952 921491.4634 -3669.0642 -2719.7952
ENERGY: 209 19428.8171 20325.0058 5710.3389 180.5135 -335910.2414 21349.5045 0.0000 0.0000 46273.6800 -222642.3817 168.3309 -268916.0617 -222106.7902 168.3309 -5197.7274 -2836.6306 921491.4634 -5197.7274 -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 21385.1735 20194.2568 5705.3139 178.4614 -336615.7769 21385.1096 0.0000 0.0000 45251.4333 -222516.0283 164.6123 -267767.4616 -222108.2018 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
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ENERGY: 212 23739.2709 19730.8222 5710.0295 176.0352 -336013.6228 21412.5984 0.0000 0.0000 42995.1637 -222249.7029 156.4046 -265244.8666 -222104.2321 156.4046 -4424.1002 -2820.3211 921491.4634 -4424.1002 -2820.3211
ENERGY: 213 20150.2160 19524.5249 5720.1722 175.9508 -334874.6445 21380.5553 0.0000 0.0000 45418.7804 -222504.4450 165.2210 -267923.2254 -222097.3837 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5529 19421.7448 5733.3059 176.6827 -333645.3937 21358.4486 0.0000 0.0000 46958.4700 -222681.1888 170.8220 -269639.6588 -222093.7410 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5055 19441.9744 5746.5772 178.1492 -332787.3323 21379.5597 0.0000 0.0000 45302.6744 -222527.8919 164.7987 -267830.5663 -222091.0450 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4716 19522.5062 5756.9571 180.1770 -332560.1063 21436.4837 0.0000 0.0000 42442.1786 -222248.3321 154.3930 -264690.5107 -222073.6159 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3866 19581.4820 5762.2416 182.5517 -333010.6760 21497.2707 0.0000 0.0000 41983.6749 -222225.0686 152.7251 -264208.7435 -222064.4468 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9157 19540.0891 5761.2415 184.9927 -333856.1150 21546.6562 0.0000 0.0000 44178.6834 -222478.5364 160.7099 -266657.2198 -222068.8158 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
ENERGY: 219 19429.8641 19413.3932 5754.3577 187.2447 -334778.0712 21596.8810 0.0000 0.0000 45751.9295 -222644.4010 166.4329 -268396.3306 -222073.1723 166.4329 -4457.7332 -2810.5236 921491.4634 -4457.7332 -2810.5236
TIMING: 220 CPU: 105.247, 0.47192/step Wall: 105.247, 0.47192/step, 0.0367049 hours remaining, 3223.878906 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: 114.672, 0.47124/step Wall: 114.672, 0.47124/step, 0.034034 hours remaining, 3223.878906 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 242 22110.7716 20111.8209 5758.5348 169.0441 -335904.8199 21831.0569 0.0000 0.0000 43526.8719 -222396.7197 158.3388 -265923.5916 -222063.5738 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
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ENERGY: 246 20878.5480 19853.7023 5716.8932 174.1558 -334213.1206 21705.0852 0.0000 0.0000 43600.4182 -222284.3180 158.6063 -265884.7361 -222067.4297 158.6063 -1173.7928 -2523.3912 921491.4634 -1173.7928 -2523.3912
ENERGY: 247 19868.5286 19979.6438 5712.7400 177.5412 -334802.1842 21719.8456 0.0000 0.0000 44912.1911 -222431.6938 163.3782 -267343.8850 -222068.1395 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4925 20164.4295 5713.8450 181.3144 -335623.1354 21746.4312 0.0000 0.0000 46185.9361 -222595.6867 168.0117 -268781.6228 -222090.3129 168.0117 -1359.1246 -2608.3065 921491.4634 -1359.1246 -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: 252 21994.9042 20013.1599 5733.2541 193.8023 -336093.2678 21826.9297 0.0000 0.0000 43905.3718 -222425.8458 159.7157 -266331.2176 -222091.3307 159.7157 -3843.4682 -2758.0338 921491.4634 -3843.4682 -2758.0338
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ENERGY: 256 20899.4408 18950.9578 5693.4518 195.6570 -332975.5973 21757.6849 0.0000 0.0000 43181.1611 -222297.2440 157.0812 -265478.4051 -222071.2741 157.0812 -2042.2407 -2664.5198 921491.4634 -2042.2407 -2664.5198
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TIMING: 260 CPU: 124.085, 0.470668/step Wall: 124.085, 0.470668/step, 0.0313779 hours remaining, 3223.878906 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 -335614.9714 21924.4741 0.0000 0.0000 45349.7771 -222527.2805 164.9700 -267877.0576 -222051.1549 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2259 20436.4305 5710.6950 187.5052 -334855.9512 21907.7773 0.0000 0.0000 44751.4784 -222476.8389 162.7936 -267228.3173 -222069.1984 162.7936 -2191.1925 -2723.5293 921491.4634 -2191.1925 -2723.5293
ENERGY: 265 19946.8414 20681.9925 5713.6241 187.4392 -334395.6632 21906.0164 0.0000 0.0000 43607.6374 -222352.1122 158.6326 -265959.7496 -222054.3373 158.6326 -2038.0571 -2683.6034 921491.4634 -2038.0571 -2683.6034
ENERGY: 266 20048.7897 20788.8699 5712.1327 187.6137 -334399.4577 21914.4805 0.0000 0.0000 43399.3798 -222348.1913 157.8750 -265747.5711 -222054.3635 157.8750 -2130.7239 -2664.5956 921491.4634 -2130.7239 -2664.5956
ENERGY: 267 19648.0904 20691.2677 5707.0583 187.8501 -334831.4856 21930.8374 0.0000 0.0000 44220.2170 -222446.1647 160.8610 -266666.3816 -222055.6586 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9161 20375.7515 5700.1930 187.9286 -335513.7451 21959.1257 0.0000 0.0000 44823.5378 -222504.2925 163.0557 -267327.8302 -222075.9876 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
ENERGY: 270 22620.1935 19450.9167 5690.3173 187.1618 -336650.6777 22028.8071 0.0000 0.0000 44308.0075 -222365.2738 161.1804 -266673.2813 -222067.0435 161.1804 -3583.3635 -2617.7583 921491.4634 -3583.3635 -2617.7583
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ENERGY: 272 21021.5584 18896.0662 5692.8269 184.9335 -335921.4616 22015.0580 0.0000 0.0000 45607.7075 -222503.3111 165.9083 -268111.0186 -222081.1573 165.9083 -2551.9685 -2501.8805 921491.4634 -2551.9685 -2501.8805
ENERGY: 273 20123.2136 18932.9081 5697.5118 183.8526 -334925.7012 21985.5296 0.0000 0.0000 45502.7160 -222499.9696 165.5264 -268002.6856 -222069.0460 165.5264 -1837.1975 -2434.6760 921491.4634 -1837.1975 -2434.6760
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ENERGY: 276 19401.8500 19594.7508 5701.2547 182.4904 -333292.1280 21971.0409 0.0000 0.0000 44028.5270 -222412.2142 160.1637 -266440.7412 -222072.9396 160.1637 -1580.1299 -2417.6040 921491.4634 -1580.1299 -2417.6040
ENERGY: 277 19149.2971 19724.7159 5695.5210 182.9396 -333864.3452 21997.2386 0.0000 0.0000 44632.8111 -222481.8219 162.3619 -267114.6330 -222061.0989 162.3619 -2311.7544 -2498.0545 921491.4634 -2311.7544 -2498.0545
ENERGY: 278 20199.4576 19713.7759 5686.9122 183.6585 -334821.1003 22041.3358 0.0000 0.0000 44532.2539 -222463.7063 161.9961 -266995.9602 -222063.4132 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
ENERGY: 279 21984.3650 19593.9430 5677.5176 184.5187 -335888.5800 22096.4199 0.0000 0.0000 43975.0878 -222376.7281 159.9693 -266351.8159 -222065.2025 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 133.489, 0.470182/step Wall: 133.489, 0.470182/step, 0.0287333 hours remaining, 3223.878906 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 280 22859.3232 19458.4366 5670.0026 185.3899 -336752.6633 22145.1354 0.0000 0.0000 44066.7336 -222367.6420 160.3027 -266434.3757 -222073.4248 160.3027 -4286.3895 -2748.0546 921491.4634 -4286.3895 -2748.0546
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ENERGY: 282 20943.7899 19615.5378 5669.9796 186.8360 -336942.5034 22176.7654 0.0000 0.0000 45823.3368 -222526.2579 166.6927 -268349.5947 -222063.3317 166.6927 -2992.3272 -2779.3668 921491.4634 -2992.3272 -2779.3668
ENERGY: 283 20432.1060 19966.6614 5678.8137 187.1634 -336251.9200 22171.0648 0.0000 0.0000 45328.8519 -222487.2588 164.8939 -267816.1107 -222060.8461 164.8939 -2008.7736 -2748.2306 921491.4634 -2008.7736 -2748.2306
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ENERGY: 285 20203.3286 20789.9628 5707.3565 186.7145 -334827.1964 22167.0165 0.0000 0.0000 43418.2630 -222354.5546 157.9437 -265772.8176 -222053.5968 157.9437 -1010.8436 -2700.0820 921491.4634 -1010.8436 -2700.0820
ENERGY: 286 19396.6308 20966.5622 5721.5031 185.8229 -334658.1147 22176.6863 0.0000 0.0000 43785.6881 -222425.2213 159.2803 -266210.9095 -222054.0583 159.2803 -1306.7501 -2717.2847 921491.4634 -1306.7501 -2717.2847
ENERGY: 287 19176.1189 20856.7822 5731.9346 184.4714 -334918.1480 22200.2910 0.0000 0.0000 44282.9437 -222485.6060 161.0892 -266768.5497 -222055.7254 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2088 20475.2851 5736.9557 182.7335 -335468.3149 22237.9037 0.0000 0.0000 44116.9903 -222455.2377 160.4855 -266572.2280 -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
ENERGY: 290 22615.9846 19325.5266 5730.3279 178.6973 -336571.4577 22308.2174 0.0000 0.0000 44027.4233 -222385.2804 160.1597 -266412.7037 -222063.4685 160.1597 -4815.3288 -2796.0390 921491.4634 -4815.3288 -2796.0390
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LDB: ============= START OF LOAD BALANCING ============== 149.036
LDB: Largest compute 200 load 0.520055 is 1.1% of average load 45.735450
LDB: Average compute 0.064061 is 0.1% of average load 45.735450
LDB: TIME 149.038 LOAD: AVG 45.7355 MAX 47.1026 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.27 MB
LDB: TIME 149.039 LOAD: AVG 45.7355 MAX 47.1026 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.27 MB
LDB: TIME 149.055 LOAD: AVG 45.7355 MAX 46.2373 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.27 MB
LDB: ============== END OF LOAD BALANCING =============== 149.056
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 149.057
Info: Initial time: 4 CPUs 0.470694 s/step 5.44784 days/ns 3224.27 MB memory
TIMING: 300 CPU: 142.899, 0.470533/step Wall: 142.899, 0.470533/step, 0.0261407 hours remaining, 3224.273438 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 21723.0648 20395.7907 5720.2599 184.8676 -337483.0153 22416.9293 0.0000 0.0000 44599.2669 -222442.8361 162.2399 -267042.1030 -222057.3400 162.2399 -3958.8649 -2554.2736 921491.4634 -3958.8649 -2554.2736
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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: 152.117, 0.460863/step Wall: 152.117, 0.460863/step, 0.0230432 hours remaining, 3224.273438 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: 322 22179.0069 20957.0455 5696.1855 180.4970 -337965.9628 22565.0704 0.0000 0.0000 43989.5235 -222398.6338 160.0218 -266388.1574 -222063.6578 160.0218 -4596.8829 -2640.5012 921491.4634 -4596.8829 -2640.5012
ENERGY: 323 21976.7004 21085.8078 5695.4506 181.8003 -337194.0742 22550.8104 0.0000 0.0000 43361.4899 -222342.0147 157.7372 -265703.5046 -222061.4466 157.7372 -3808.3603 -2616.6943 921491.4634 -3808.3603 -2616.6943
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ENERGY: 325 19096.1750 20584.7377 5683.7432 184.8441 -335297.0510 22494.0545 0.0000 0.0000 44763.3950 -222490.1014 162.8369 -267253.4964 -222060.9516 162.8369 -1264.0242 -2529.6545 921491.4634 -1264.0242 -2529.6545
ENERGY: 326 18959.6359 20052.8004 5675.9627 186.2078 -334820.0102 22490.4170 0.0000 0.0000 44971.8219 -222483.1646 163.5951 -267454.9864 -222059.6112 163.5951 -572.2140 -2503.0557 921491.4634 -572.2140 -2503.0557
ENERGY: 327 20020.7820 19506.2795 5669.7116 187.2139 -334851.2529 22513.0147 0.0000 0.0000 44550.7421 -222403.5093 162.0634 -266954.2513 -222059.8764 162.0634 -657.4990 -2506.5013 921491.4634 -657.4990 -2506.5013
ENERGY: 328 20934.1979 19092.0093 5666.7484 187.7399 -335303.4708 22549.7454 0.0000 0.0000 44493.2351 -222379.7949 161.8542 -266873.0300 -222061.7260 161.8542 -1393.2038 -2547.3517 921491.4634 -1393.2038 -2547.3517
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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: 336 19127.9132 19639.0993 5698.6022 180.2744 -334271.7850 22519.6998 0.0000 0.0000 44649.6644 -222456.5317 162.4232 -267106.1961 -222055.6203 162.4232 -1093.5003 -2488.8701 921491.4634 -1093.5003 -2488.8701
ENERGY: 337 20420.1632 19649.7061 5693.3319 179.7347 -334824.3552 22536.4223 0.0000 0.0000 43995.5993 -222349.3978 160.0439 -266344.9971 -222040.1027 160.0439 -1064.7182 -2460.5859 921491.4634 -1064.7182 -2460.5859
ENERGY: 338 21007.5745 19722.4641 5687.5590 179.5437 -335808.8616 22564.1944 0.0000 0.0000 44285.9168 -222361.6090 161.1000 -266647.5258 -222041.5960 161.1000 -1500.9498 -2462.8575 921491.4634 -1500.9498 -2462.8575
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TIMING: 340 CPU: 161.326, 0.460478/step Wall: 161.326, 0.460478/step, 0.0204657 hours remaining, 3224.273438 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: 344 19898.5077 20447.2067 5699.9573 182.0106 -336095.2674 22596.5928 0.0000 0.0000 44790.9362 -222480.0562 162.9371 -267270.9923 -222071.3580 162.9371 -2338.1158 -2329.7492 921491.4634 -2338.1158 -2329.7492
ENERGY: 345 18694.7356 20199.0882 5702.3270 182.4513 -335224.1273 22568.7536 0.0000 0.0000 45351.4658 -222525.3058 164.9762 -267876.7716 -222058.0557 164.9762 -1576.2388 -2261.7960 921491.4634 -1576.2388 -2261.7960
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ENERGY: 347 20669.8294 19583.9410 5696.3949 182.8447 -334881.4387 22581.1982 0.0000 0.0000 43831.1327 -222336.0978 159.4456 -266167.2304 -222056.9476 159.4456 -1358.8145 -2194.9212 921491.4634 -1358.8145 -2194.9212
ENERGY: 348 21062.2472 19315.9903 5689.3479 182.7918 -335425.6673 22604.2201 0.0000 0.0000 44195.9876 -222375.0824 160.7729 -266571.0700 -222064.0952 160.7729 -1766.2767 -2218.9158 921491.4634 -1766.2767 -2218.9158
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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 -336836.8362 22661.9755 0.0000 0.0000 45710.0737 -222530.3111 166.2807 -268240.3847 -222058.0881 166.2807 -2896.5511 -2326.8868 921491.4634 -2896.5511 -2326.8868
ENERGY: 351 22235.3181 19085.8716 5672.3993 182.3761 -337072.3454 22693.2958 0.0000 0.0000 44770.4137 -222432.6709 162.8625 -267203.0845 -222058.6360 162.8625 -3254.0188 -2369.0508 921491.4634 -3254.0188 -2369.0508
ENERGY: 352 22912.9249 19180.1283 5672.7329 182.2243 -336794.7861 22708.6920 0.0000 0.0000 43795.3992 -222342.6844 159.3156 -266138.0836 -222059.3900 159.3156 -3190.0136 -2394.0289 921491.4634 -3190.0136 -2394.0289
ENERGY: 353 21825.9774 19344.0938 5676.6445 182.1014 -336147.6553 22699.4233 0.0000 0.0000 44043.1856 -222376.2293 160.2170 -266419.4149 -222047.6764 160.2170 -2709.1540 -2407.4663 921491.4634 -2709.1540 -2407.4663
ENERGY: 354 19814.0380 19544.5092 5682.7360 181.9868 -335375.1826 22676.8667 0.0000 0.0000 44983.0757 -222491.9701 163.6361 -267475.0458 -222046.2244 163.6361 -2040.9897 -2415.4741 921491.4634 -2040.9897 -2415.4741
ENERGY: 355 18879.8416 19773.7509 5689.2466 181.9196 -334823.9958 22664.4421 0.0000 0.0000 45120.2678 -222514.5273 164.1351 -267634.7951 -222044.8384 164.1351 -1600.3167 -2424.6826 921491.4634 -1600.3167 -2424.6826
ENERGY: 356 19622.4370 20015.8109 5694.4280 181.9402 -334758.7692 22674.4079 0.0000 0.0000 44153.0885 -222416.6567 160.6168 -266569.7452 -222053.0963 160.6168 -1622.0261 -2446.8265 921491.4634 -1622.0261 -2446.8265
ENERGY: 357 20687.2712 20255.1054 5697.1707 182.0215 -335288.0647 22700.2949 0.0000 0.0000 43438.0178 -222328.1832 158.0156 -265766.2009 -222042.2331 158.0156 -2061.3606 -2486.6662 921491.4634 -2061.3606 -2486.6662
ENERGY: 358 20785.4067 20424.8428 5696.9832 182.1295 -336225.9480 22730.2419 0.0000 0.0000 44019.5823 -222386.7617 160.1311 -266406.3440 -222043.9946 160.1311 -2636.8581 -2541.3592 921491.4634 -2636.8581 -2541.3592
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TIMING: 360 CPU: 170.53, 0.460179/step Wall: 170.53, 0.460179/step, 0.0178958 hours remaining, 3224.273438 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: 364 19323.8973 19612.6014 5699.8913 181.0103 -336175.1997 22790.5193 0.0000 0.0000 46034.3486 -222532.9315 167.4603 -268567.2801 -222068.5920 167.4603 -1420.0423 -2476.3757 921491.4634 -1420.0423 -2476.3757
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ENERGY: 368 20561.5938 19748.2119 5739.6691 179.8274 -335728.0874 22808.6653 0.0000 0.0000 44272.8404 -222417.2795 161.0524 -266690.1199 -222068.2914 161.0524 -2928.4887 -2487.3069 921491.4634 -2928.4887 -2487.3069
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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 20646.4608 20251.1590 5706.5521 182.3248 -335763.5797 22794.3774 0.0000 0.0000 43848.2750 -222334.4305 159.5080 -266182.7055 -222041.4015 159.5080 -1819.5858 -2472.4986 921491.4634 -1819.5858 -2472.4986
ENERGY: 378 20473.8100 20495.6592 5711.4639 183.2952 -336584.2275 22821.5837 0.0000 0.0000 44474.7533 -222423.6624 161.7869 -266898.4156 -222044.3970 161.7869 -2972.9874 -2523.3499 921491.4634 -2972.9874 -2523.3499
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TIMING: 380 CPU: 179.728, 0.45992/step Wall: 179.728, 0.45992/step, 0.0153307 hours remaining, 3224.273438 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 21263.6991 19910.9246 5714.6670 180.7420 -337128.0223 22911.2844 0.0000 0.0000 44707.9440 -222438.7613 162.6352 -267146.7053 -222048.1882 162.6352 -2023.0801 -2294.0132 921491.4634 -2023.0801 -2294.0132
ENERGY: 384 19625.4112 19596.0353 5710.5349 179.0647 -336052.0484 22884.2533 0.0000 0.0000 45539.1829 -222517.5661 165.6590 -268056.7490 -222062.0929 165.6590 -569.2378 -2166.9358 921491.4634 -569.2378 -2166.9358
ENERGY: 385 19327.8180 19356.8911 5707.7751 177.4354 -335210.6399 22871.6142 0.0000 0.0000 45299.7167 -222469.3893 164.7879 -267769.1060 -222051.0997 164.7879 215.3515 -2064.3637 921491.4634 215.3515 -2064.3637
ENERGY: 386 19981.2272 19220.9464 5707.6637 175.9384 -334865.1816 22880.7956 0.0000 0.0000 44519.8583 -222378.7519 161.9510 -266898.6102 -222051.0441 161.9510 122.6669 -2011.2428 921491.4634 122.6669 -2011.2428
ENERGY: 387 20367.2860 19202.4844 5710.9354 174.6759 -335109.8726 22905.2742 0.0000 0.0000 44377.1814 -222372.0353 161.4320 -266749.2166 -222053.0053 161.4320 -738.9587 -2019.1690 921491.4634 -738.9587 -2019.1690
ENERGY: 388 20282.3988 19280.0167 5717.2934 173.7038 -335824.1517 22938.2898 0.0000 0.0000 44972.7759 -222459.6732 163.5986 -267432.4491 -222067.4818 163.5986 -2063.8555 -2076.2821 921491.4634 -2063.8555 -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
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ENERGY: 397 19906.7783 20200.7710 5721.4919 176.2273 -336102.8172 22990.0371 0.0000 0.0000 44712.8675 -222394.6442 162.6531 -267107.5117 -222042.6600 162.6531 -376.0864 -2327.2102 921491.4634 -376.0864 -2327.2102
ENERGY: 398 19692.8116 20133.3591 5716.9814 176.0456 -336812.3376 23014.0581 0.0000 0.0000 45592.7322 -222486.3497 165.8538 -268079.0819 -222045.7223 165.8538 -1710.2239 -2443.6966 921491.4634 -1710.2239 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 195.086
LDB: Largest compute 230 load 0.524159 is 1.1% of average load 45.688847
LDB: Average compute 0.063989 is 0.1% of average load 45.688847
LDB: TIME 195.088 LOAD: AVG 45.6888 MAX 46.0287 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.27 MB
LDB: TIME 195.088 LOAD: AVG 45.6888 MAX 46.0287 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.27 MB
LDB: TIME 195.088 LOAD: AVG 45.6888 MAX 46.0287 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.27 MB
LDB: ============== END OF LOAD BALANCING =============== 195.089
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.09
Info: Benchmark time: 4 CPUs 0.460234 s/step 5.32679 days/ns 3224.27 MB memory
TIMING: 400 CPU: 188.927, 0.459933/step Wall: 188.927, 0.459933/step, 0.0127759 hours remaining, 3224.273438 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 22444.0478 19835.9106 5715.8942 173.8391 -338107.6280 23109.6373 0.0000 0.0000 44436.8100 -222391.4890 161.6489 -266828.2990 -222049.2225 161.6489 -4939.3795 -2681.7026 921491.4634 -4939.3795 -2681.7026
ENERGY: 403 20784.9694 19778.4826 5715.7218 174.2695 -337239.9776 23077.8396 0.0000 0.0000 45225.5964 -222483.0984 164.5183 -267708.6948 -222046.6853 164.5183 -3613.5978 -2605.7429 921491.4634 -3613.5978 -2605.7429
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ENERGY: 409 20350.1189 19376.4606 5688.4775 191.1593 -336896.6840 23057.9916 0.0000 0.0000 45733.6056 -222498.8705 166.3663 -268232.4762 -222051.6706 166.3663 -2367.4923 -2346.9327 921491.4634 -2367.4923 -2346.9327
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: 413 21130.1416 20138.5246 5699.9334 199.7191 -337872.5308 23125.1110 0.0000 0.0000 45113.2140 -222465.8871 164.1095 -267579.1011 -222055.3454 164.1095 -3850.6269 -2398.9550 921491.4634 -3850.6269 -2398.9550
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ENERGY: 416 19942.3168 20661.9893 5710.0857 195.6954 -336157.5850 23063.1710 0.0000 0.0000 44200.2846 -222384.0423 160.7885 -266584.3269 -222052.9646 160.7885 -282.7614 -2224.6898 921491.4634 -282.7614 -2224.6898
ENERGY: 417 20031.3748 20631.3206 5709.0494 192.4696 -336373.1064 23072.1093 0.0000 0.0000 44338.4615 -222398.3211 161.2911 -266736.7826 -222044.6995 161.2911 -112.4555 -2227.1700 921491.4634 -112.4555 -2227.1700
ENERGY: 418 20154.6647 20457.0906 5705.5847 188.6536 -336970.7856 23098.6721 0.0000 0.0000 44915.1417 -222450.9780 163.3889 -267366.1197 -222046.7095 163.3889 -671.8548 -2269.9922 921491.4634 -671.8548 -2269.9922
ENERGY: 419 20790.7631 20185.5520 5700.4810 184.6055 -337717.8745 23139.8019 0.0000 0.0000 45250.3095 -222466.3615 164.6082 -267716.6710 -222049.5952 164.6082 -1783.9423 -2336.6465 921491.4634 -1783.9423 -2336.6465
TIMING: 420 CPU: 198.105, 0.458899/step Wall: 198.105, 0.458899/step, 0.0101977 hours remaining, 3224.273438 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: 424 20531.3309 19270.7816 5692.6542 170.6563 -336406.2757 23140.4642 0.0000 0.0000 45151.0451 -222449.3433 164.2471 -267600.3885 -222060.4130 164.2471 -3030.1608 -2370.2034 921491.4634 -3030.1608 -2370.2034
ENERGY: 425 19942.3359 19314.5609 5697.3263 169.6876 -335607.5200 23103.7916 0.0000 0.0000 44956.0475 -222423.7701 163.5377 -267379.8175 -222050.7966 163.5377 -1980.9653 -2297.0090 921491.4634 -1980.9653 -2297.0090
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ENERGY: 427 19598.5314 19595.2900 5707.1504 168.7509 -335498.4313 23074.5002 0.0000 0.0000 44915.2771 -222438.9313 163.3894 -267354.2084 -222048.7341 163.3894 -741.9010 -2207.6355 921491.4634 -741.9010 -2207.6355
ENERGY: 428 20140.4227 19760.4172 5710.4628 168.5259 -336199.9847 23087.7672 0.0000 0.0000 44884.2590 -222448.1299 163.2766 -267332.3889 -222058.0551 163.2766 -935.5733 -2206.9585 921491.4634 -935.5733 -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 22013.9873 20024.3737 5712.1700 168.1897 -338096.9200 23149.4488 0.0000 0.0000 44626.3097 -222402.4408 162.3382 -267028.7505 -222047.3917 162.3382 -2472.2458 -2268.0466 921491.4634 -2472.2458 -2268.0466
ENERGY: 431 22204.1021 20111.4152 5711.2600 168.0704 -338644.7640 23172.3799 0.0000 0.0000 44858.4629 -222419.0734 163.1828 -267277.5363 -222048.7171 163.1828 -3116.2806 -2293.5593 921491.4634 -3116.2806 -2293.5593
ENERGY: 432 21768.3703 20188.6723 5710.3547 168.1086 -338651.2096 23176.0841 0.0000 0.0000 45177.9909 -222461.6288 164.3451 -267639.6197 -222065.9061 164.3451 -3350.2742 -2296.1498 921491.4634 -3350.2742 -2296.1498
ENERGY: 433 21200.9071 20275.9662 5710.3763 168.4633 -338164.0632 23162.2905 0.0000 0.0000 45192.9283 -222453.1314 164.3995 -267646.0597 -222052.5985 164.3995 -3187.3733 -2272.1277 921491.4634 -3187.3733 -2272.1277
ENERGY: 434 20730.3411 20338.1498 5711.6061 169.3247 -337394.2698 23140.7730 0.0000 0.0000 44883.0998 -222420.9754 163.2724 -267304.0752 -222051.1465 163.2724 -2694.3108 -2227.7886 921491.4634 -2694.3108 -2227.7886
ENERGY: 435 20235.2199 20362.4013 5714.0003 170.8455 -336680.6549 23123.4091 0.0000 0.0000 44675.9841 -222398.7947 162.5190 -267074.7787 -222049.5891 162.5190 -2061.3583 -2179.8952 921491.4634 -2061.3583 -2179.8952
ENERGY: 436 19670.9241 20349.9980 5717.2345 173.0864 -336303.8806 23119.9071 0.0000 0.0000 44847.0986 -222425.6319 163.1414 -267272.7305 -222059.6961 163.1414 -1520.6599 -2145.1618 921491.4634 -1520.6599 -2145.1618
ENERGY: 437 19434.5516 20329.5091 5720.9894 175.9827 -336411.9780 23136.3861 0.0000 0.0000 45159.2690 -222455.2902 164.2770 -267614.5593 -222050.7504 164.2770 -1319.1171 -2134.4850 921491.4634 -1319.1171 -2134.4850
ENERGY: 438 19935.1534 20278.6094 5724.6884 179.3848 -336899.4574 23173.5512 0.0000 0.0000 45148.1326 -222459.9375 164.2365 -267608.0701 -222051.5670 164.2365 -1493.0943 -2145.0883 921491.4634 -1493.0943 -2145.0883
ENERGY: 439 21052.7409 20184.4295 5727.7929 183.0561 -337561.7717 23224.7476 0.0000 0.0000 44760.8214 -222428.1834 162.8276 -267189.0048 -222052.7967 162.8276 -1936.1991 -2169.8749 921491.4634 -1936.1991 -2169.8749
TIMING: 440 CPU: 207.271, 0.458313/step Wall: 207.271, 0.458313/step, 0.00763854 hours remaining, 3224.273438 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 20036.2371 5729.7527 186.7201 -338123.1806 23276.2480 0.0000 0.0000 44417.5462 -222405.1081 161.5788 -266822.6543 -222059.4775 161.5788 -2408.4614 -2197.9673 921491.4634 -2408.4614 -2197.9673
ENERGY: 441 22355.5485 19860.0409 5730.3488 190.1145 -338361.1714 23313.2039 0.0000 0.0000 44502.6967 -222409.2181 161.8886 -266911.9148 -222050.0862 161.8886 -2716.1029 -2221.5315 921491.4634 -2716.1029 -2221.5315
ENERGY: 442 21853.6116 19664.5350 5729.4854 192.9411 -338090.1531 23327.1562 0.0000 0.0000 44880.6322 -222441.7915 163.2634 -267322.4237 -222049.7757 163.2634 -2710.5577 -2229.0697 921491.4634 -2710.5577 -2229.0697
ENERGY: 443 21064.3314 19487.0723 5727.6164 194.9329 -337369.3147 23320.0152 0.0000 0.0000 45118.1107 -222457.2356 164.1273 -267575.3463 -222048.5997 164.1273 -2448.1649 -2220.3532 921491.4634 -2448.1649 -2220.3532
ENERGY: 444 20449.3362 19357.2690 5725.4095 195.8735 -336464.1921 23301.5271 0.0000 0.0000 44987.7176 -222447.0592 163.6530 -267434.7768 -222057.9801 163.6530 -2090.2101 -2206.4401 921491.4634 -2090.2101 -2206.4401
ENERGY: 445 20125.5607 19307.2518 5723.6513 195.6942 -335759.3912 23283.8133 0.0000 0.0000 44708.7154 -222414.7046 162.6380 -267123.4200 -222046.5432 162.6380 -1846.9628 -2201.6927 921491.4634 -1846.9628 -2201.6927
ENERGY: 446 19947.6804 19324.9005 5722.5430 194.3235 -335494.5707 23276.0446 0.0000 0.0000 44620.2944 -222408.7843 162.3164 -267029.0788 -222046.1625 162.3164 -1800.7520 -2216.7295 921491.4634 -1800.7520 -2216.7295
ENERGY: 447 19914.2849 19416.0209 5722.2107 191.8641 -335769.4400 23282.7453 0.0000 0.0000 44816.5086 -222425.8054 163.0301 -267242.3140 -222046.8347 163.0301 -1993.3115 -2253.0605 921491.4634 -1993.3115 -2253.0605
ENERGY: 448 20187.5924 19583.6799 5722.5764 188.5554 -336503.1801 23303.8900 0.0000 0.0000 45065.6671 -222451.2189 163.9365 -267516.8860 -222059.3485 163.9365 -2372.1881 -2303.7901 921491.4634 -2372.1881 -2303.7901
ENERGY: 449 20877.4062 19832.6985 5723.5713 184.8596 -337500.9072 23334.5920 0.0000 0.0000 45101.1675 -222446.6123 164.0657 -267547.7797 -222047.7103 164.0657 -2827.1084 -2356.1409 921491.4634 -2827.1084 -2356.1409
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4854 20108.1299 5724.4776 181.0897 -338419.3250 23364.6240 0.0000 0.0000 44854.3094 -222432.2090 163.1676 -267286.5183 -222048.7864 163.1676 -3116.6759 -2394.3898 921491.4634 -3116.6759 -2394.3898
ENERGY: 451 22355.5900 20357.7255 5724.7144 177.6517 -338952.0909 23381.8005 0.0000 0.0000 44542.6984 -222411.9104 162.0341 -266954.6088 -222048.8249 162.0341 -3074.2534 -2405.7799 921491.4634 -3074.2534 -2405.7799
ENERGY: 452 22246.2013 20536.0134 5723.8953 174.8859 -338927.1537 23378.0942 0.0000 0.0000 44452.9194 -222415.1442 161.7075 -266868.0636 -222059.6373 161.7075 -2659.9606 -2384.7569 921491.4634 -2659.9606 -2384.7569
ENERGY: 453 21399.8725 20641.1311 5722.2878 173.1350 -338392.7935 23354.5907 0.0000 0.0000 44683.7030 -222418.0733 162.5470 -267101.7763 -222043.5374 162.5470 -2048.3339 -2342.4669 921491.4634 -2048.3339 -2342.4669
ENERGY: 454 20248.3381 20654.1374 5720.2217 172.3637 -337567.1417 23320.6901 0.0000 0.0000 45008.1462 -222443.2444 163.7273 -267451.3907 -222041.8394 163.7273 -1453.4579 -2293.1451 921491.4634 -1453.4579 -2293.1451
ENERGY: 455 19486.7906 20584.7120 5718.4844 172.5169 -336790.6457 23290.4024 0.0000 0.0000 45086.5788 -222451.1606 164.0126 -267537.7394 -222040.8573 164.0126 -1151.8825 -2255.8573 921491.4634 -1151.8825 -2255.8573
ENERGY: 456 19493.3721 20440.6800 5717.7556 173.4248 -336350.1078 23274.9632 0.0000 0.0000 44811.4727 -222438.4393 163.0118 -267249.9120 -222055.3484 163.0118 -1305.5003 -2245.5822 921491.4634 -1305.5003 -2245.5822
ENERGY: 457 20047.4929 20251.9435 5718.5580 174.9241 -336395.8169 23277.8276 0.0000 0.0000 44521.8707 -222403.2000 161.9583 -266925.0707 -222049.4130 161.9583 -1906.4165 -2263.5011 921491.4634 -1906.4165 -2263.5011
ENERGY: 458 20585.8436 20019.2724 5720.7061 176.6081 -336835.0964 23294.7175 0.0000 0.0000 44632.7891 -222405.1596 162.3618 -267037.9487 -222051.2820 162.3618 -2684.6987 -2301.0425 921491.4634 -2684.6987 -2301.0425
ENERGY: 459 20903.4947 19784.9692 5724.0022 178.1984 -337468.1650 23318.6986 0.0000 0.0000 45113.9369 -222444.8650 164.1121 -267558.8019 -222053.1409 164.1121 -3350.5832 -2341.5795 921491.4634 -3350.5832 -2341.5795
TIMING: 460 CPU: 216.429, 0.457871/step Wall: 216.429, 0.457871/step, 0.00508746 hours remaining, 3224.273438 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 19597.9067 5728.0972 179.4910 -338014.3778 23341.8004 0.0000 0.0000 45423.8568 -222480.6117 165.2395 -267904.4685 -222064.6837 165.2395 -3669.8202 -2365.2412 921491.4634 -3669.8202 -2365.2412
ENERGY: 461 21862.8762 19507.1081 5732.5753 180.4333 -338251.6226 23355.3938 0.0000 0.0000 45154.6141 -222458.6220 164.2601 -267613.2361 -222058.0507 164.2601 -3556.1666 -2361.1799 921491.4634 -3556.1666 -2361.1799
ENERGY: 462 22264.2255 19487.8115 5736.4823 180.9531 -337988.7180 23351.1089 0.0000 0.0000 44559.9293 -222408.2075 162.0968 -266968.1368 -222056.7215 162.0968 -2954.8199 -2323.4250 921491.4634 -2954.8199 -2323.4250
ENERGY: 463 21821.1792 19513.9022 5738.9361 181.1160 -337284.1038 23326.9480 0.0000 0.0000 44313.4570 -222388.5653 161.2002 -266702.0223 -222054.6243 161.2002 -2012.4423 -2264.0778 921491.4634 -2012.4423 -2264.0778
ENERGY: 464 20535.2461 19559.9279 5739.2518 181.0096 -336389.3851 23291.1944 0.0000 0.0000 44654.0265 -222428.7287 162.4391 -267082.7553 -222058.5732 162.4391 -1050.9227 -2205.5269 921491.4634 -1050.9227 -2205.5269
ENERGY: 465 19322.7827 19631.8859 5737.2899 180.7155 -335701.1544 23259.7394 0.0000 0.0000 45094.5687 -222474.1723 164.0416 -267568.7410 -222052.9391 164.0416 -512.3347 -2174.4009 921491.4634 -512.3347 -2174.4009
ENERGY: 466 19088.4509 19708.3585 5733.2107 180.2808 -335443.7734 23245.0606 0.0000 0.0000 45020.7908 -222467.6209 163.7733 -267488.4118 -222052.9788 163.7733 -630.3315 -2182.6711 921491.4634 -630.3315 -2182.6711
ENERGY: 467 19841.8070 19783.1745 5727.6704 179.7757 -335721.0958 23249.4532 0.0000 0.0000 44523.6664 -222415.5485 161.9649 -266939.2150 -222054.3498 161.9649 -1393.6031 -2232.5924 921491.4634 -1393.6031 -2232.5924
ENERGY: 468 20761.8483 19845.4943 5721.5090 179.2779 -336451.5671 23265.8128 0.0000 0.0000 44291.6582 -222385.9666 161.1209 -266677.6248 -222056.3594 161.1209 -2508.6717 -2314.1341 921491.4634 -2508.6717 -2314.1341
ENERGY: 469 21236.3017 19910.2021 5715.6824 178.8504 -337458.3204 23284.3964 0.0000 0.0000 44720.3197 -222412.5676 162.6802 -267132.8873 -222046.0754 162.6802 -3596.7408 -2405.7973 921491.4634 -3596.7408 -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 21411.1730 19972.8933 5710.9491 178.5947 -338383.2506 23297.0675 0.0000 0.0000 45346.4569 -222466.1160 164.9579 -267812.5729 -222047.6093 164.9579 -4259.6997 -2477.6832 921491.4634 -4259.6997 -2477.6832
ENERGY: 471 21732.8675 20054.6833 5707.9626 178.5890 -338913.2448 23297.5087 0.0000 0.0000 45471.3362 -222470.2975 165.4122 -267941.6337 -222047.5363 165.4122 -4290.5684 -2504.3176 921491.4634 -4290.5684 -2504.3176
ENERGY: 472 22081.2357 20161.5548 5707.0091 178.9047 -338870.6759 23279.4493 0.0000 0.0000 45028.5291 -222433.9931 163.8014 -267462.5222 -222059.5060 163.8014 -3659.7358 -2479.9183 921491.4634 -3659.7358 -2479.9183
ENERGY: 473 21866.1360 20289.3422 5707.9843 179.6165 -338307.7182 23240.7365 0.0000 0.0000 44634.5166 -222389.3861 162.3681 -267023.9028 -222043.8542 162.3681 -2556.3614 -2408.1656 921491.4634 -2556.3614 -2408.1656
ENERGY: 474 20842.9703 20372.0981 5710.2161 180.7466 -337438.4544 23189.2350 0.0000 0.0000 44733.2300 -222409.9584 162.7272 -267143.1883 -222041.2622 162.7272 -1295.5523 -2316.2727 921491.4634 -1295.5523 -2316.2727
ENERGY: 475 19674.2078 20371.7669 5712.9876 182.2512 -336604.2307 23142.3820 0.0000 0.0000 45070.2133 -222450.4219 163.9530 -267520.6352 -222039.4532 163.9530 -344.6448 -2232.2125 921491.4634 -344.6448 -2232.2125
ENERGY: 476 19235.7860 20282.0271 5715.7683 184.0125 -336100.0902 23115.8468 0.0000 0.0000 45106.0629 -222460.5865 164.0835 -267566.6494 -222053.6142 164.0835 -92.4051 -2183.0653 921491.4634 -92.4051 -2183.0653
ENERGY: 477 19704.7250 20145.9811 5718.4976 185.9230 -336101.8791 23114.2941 0.0000 0.0000 44812.3204 -222420.1378 163.0149 -267232.4582 -222044.8415 163.0149 -667.4948 -2171.8229 921491.4634 -667.4948 -2171.8229
ENERGY: 478 20493.4780 19974.7639 5721.0254 187.7262 -336537.4041 23131.2462 0.0000 0.0000 44627.0327 -222402.1318 162.3409 -267029.1645 -222047.4110 162.3409 -1807.1607 -2198.7957 921491.4634 -1807.1607 -2198.7957
ENERGY: 479 21125.3062 19793.3959 5723.3295 189.2099 -337215.5845 23156.6773 0.0000 0.0000 44802.1571 -222425.5086 162.9779 -267227.6657 -222050.5464 162.9779 -3089.8518 -2246.7919 921491.4634 -3089.8518 -2246.7919
TIMING: 480 CPU: 225.574, 0.457255/step Wall: 225.574, 0.457255/step, 0.0025403 hours remaining, 3224.273438 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 21624.0329 19623.1969 5725.3111 190.1900 -337854.6791 23181.5119 0.0000 0.0000 45051.6809 -222458.7554 163.8856 -267510.4363 -222064.6213 163.8856 -4077.7328 -2291.4893 921491.4634 -4077.7328 -2291.4893
ENERGY: 481 22092.4853 19510.0439 5727.0952 190.6351 -338199.2487 23196.7960 0.0000 0.0000 45041.3365 -222440.8567 163.8480 -267482.1932 -222052.5270 163.8480 -4466.2394 -2305.6734 921491.4634 -4466.2394 -2305.6734
ENERGY: 482 22186.3465 19466.6800 5728.4963 190.3598 -338044.5424 23192.7475 0.0000 0.0000 44865.8517 -222414.0604 163.2096 -267279.9122 -222051.4116 163.2096 -4059.3097 -2278.0616 921491.4634 -4059.3097 -2278.0616
ENERGY: 483 21553.1412 19511.5750 5729.5660 189.3227 -337426.2190 23165.8741 0.0000 0.0000 44861.8966 -222414.8434 163.1953 -267276.7400 -222048.7676 163.1953 -2964.1722 -2216.4117 921491.4634 -2964.1722 -2216.4117
ENERGY: 484 20460.8925 19631.1943 5730.2465 187.5455 -336590.8885 23126.1352 0.0000 0.0000 45003.6028 -222451.2717 163.7107 -267454.8745 -222059.8742 163.7107 -1565.2424 -2143.1850 921491.4634 -1565.2424 -2143.1850
ENERGY: 485 19688.7719 19800.2994 5730.5256 185.2458 -335902.5866 23092.8471 0.0000 0.0000 44955.5722 -222449.3246 163.5360 -267404.8968 -222045.9606 163.5360 -422.1570 -2086.8736 921491.4634 -422.1570 -2086.8736
ENERGY: 486 19602.5426 19954.8178 5729.7197 182.4662 -335612.3568 23080.3808 0.0000 0.0000 44645.9115 -222416.5182 162.4096 -267062.4296 -222044.6761 162.4096 87.3179 -2070.0983 921491.4634 87.3179 -2070.0983
ENERGY: 487 19881.0926 20072.0213 5727.4347 179.4360 -335846.4481 23091.0545 0.0000 0.0000 44503.3491 -222392.0600 161.8910 -266895.4090 -222045.2407 161.8910 -192.2348 -2106.8841 921491.4634 -192.2348 -2106.8841
ENERGY: 488 20125.2101 20156.1360 5723.5441 176.4338 -336552.5453 23118.8617 0.0000 0.0000 44827.0553 -222425.3042 163.0685 -267252.3595 -222057.1940 163.0685 -1145.7536 -2194.6680 921491.4634 -1145.7536 -2194.6680
ENERGY: 489 20526.8874 20236.4607 5718.5748 173.8639 -337540.4655 23156.7311 0.0000 0.0000 45266.1001 -222461.8474 164.6656 -267727.9475 -222045.6087 164.6656 -2511.2406 -2316.7067 921491.4634 -2511.2406 -2316.7067
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 20292.9019 5712.8912 171.8438 -338458.1359 23196.4879 0.0000 0.0000 45213.5628 -222459.6995 164.4745 -267673.2623 -222048.2209 164.4745 -3823.4039 -2437.4155 921491.4634 -3823.4039 -2437.4155
ENERGY: 491 22430.4637 20312.1357 5707.3795 170.5404 -338984.5792 23226.0939 0.0000 0.0000 44733.0090 -222404.9570 162.7264 -267137.9660 -222049.4639 162.7264 -4629.6934 -2524.6215 921491.4634 -4629.6934 -2524.6215
ENERGY: 492 22612.9545 20289.6806 5702.9944 170.0208 -338937.5814 23232.7207 0.0000 0.0000 44542.1952 -222387.0151 162.0323 -266929.2103 -222060.3860 162.0323 -4606.8523 -2557.4729 921491.4634 -4606.8523 -2557.4729
ENERGY: 493 21558.2187 20260.7370 5700.7779 170.3201 -338358.0632 23214.0539 0.0000 0.0000 45033.8232 -222420.1326 163.8207 -267453.9558 -222046.5901 163.8207 -3796.3818 -2540.0996 921491.4634 -3796.3818 -2540.0996
ENERGY: 494 20068.3366 20225.0257 5700.9805 171.2193 -337454.3837 23183.0797 0.0000 0.0000 45622.2479 -222483.4939 165.9612 -268105.7418 -222044.0867 165.9612 -2500.8992 -2482.1068 921491.4634 -2500.8992 -2482.1068
ENERGY: 495 19383.2463 20186.8298 5703.5926 172.5416 -336566.9891 23159.4627 0.0000 0.0000 45484.1236 -222477.1925 165.4587 -267961.3161 -222041.5563 165.4587 -1249.6837 -2407.3056 921491.4634 -1249.6837 -2407.3056
ENERGY: 496 19722.4835 20130.6471 5708.0350 174.0933 -335998.7165 23154.2638 0.0000 0.0000 44699.5276 -222409.6662 162.6046 -267109.1938 -222049.0672 162.6046 -478.8999 -2343.4752 921491.4634 -478.8999 -2343.4752
ENERGY: 497 20212.6671 20059.9176 5713.4613 175.7242 -335952.5053 23166.3548 0.0000 0.0000 44261.0292 -222363.3512 161.0095 -266624.3804 -222042.7502 161.0095 -421.0235 -2316.7929 921491.4634 -421.0235 -2316.7929
ENERGY: 498 20182.0168 19957.1217 5718.5597 177.2604 -336366.4945 23189.3587 0.0000 0.0000 44728.2537 -222413.9235 162.7091 -267142.1772 -222044.5222 162.7091 -993.4682 -2331.6474 921491.4634 -993.4682 -2331.6474
ENERGY: 499 20158.0679 19847.7312 5722.4089 178.6361 -337058.4836 23219.2406 0.0000 0.0000 45439.2647 -222493.1341 165.2956 -267932.3988 -222047.2064 165.2956 -2020.8689 -2376.3391 921491.4634 -2020.8689 -2376.3391
Info: Benchmark time: 4 CPUs 0.457243 s/step 5.29217 days/ns 3224.27 MB memory
TIMING: 500 CPU: 234.651, 0.453887/step Wall: 234.651, 0.453887/step, 0 hours remaining, 3224.273438 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 19756.6589 5724.4523 179.8271 -337741.4205 23251.1010 0.0000 0.0000 45359.0782 -222495.4095 165.0039 -267854.4877 -222061.0913 165.0039 -3197.5169 -2425.4143 921491.4634 -3197.5169 -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, 3229.527 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.527 MB of memory in use
====================================================
WallClock: 241.696457 CPUTime: 241.696457 Memory: 3229.527344 MB
[Partition 0][Node 0] End of program
Application 1111085 resources: utime ~949s, stime ~19s, Rss ~127136, inblocks ~66552, outblocks ~71878
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.696457
CPU=241.696457
MEM=3229.527344
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 18 02:50 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 18 02:50 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 18 02:50 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 189497 Dec 18 02:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 18 02:50 status
-rwxr-xr-x 1 bwjenkins BW_System 505287 Dec 18 02:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 18 02:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 18 02:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 18 02:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 18 02:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 18 02:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 18 02:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 18 02:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 18 02:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 18 02:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 18 02:21 retest
drwxr-xr-x 12 bwjenkins BW_System 4096 Sep 8 2010 tcl8.5.9
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins16699535075744089644.sh
+ rm -rf /var/lib/jenkins/jobs/NAMD/workspace/cputime /var/lib/jenkins/jobs/NAMD/workspace/memory /var/lib/jenkins/jobs/NAMD/workspace/namd /var/lib/jenkins/jobs/NAMD/workspace/wallclock
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD/workspace
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD/workspace
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/memory
Finished: SUCCESS
![[Jenkins]](/static/755cd4af/images/svgs/logo.svg){kind=logo}
