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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 ============== 54.5531
LDB: Largest compute 200 load 0.432232 is 1.2% of average load 36.825638
LDB: Average compute 0.051591 is 0.1% of average load 36.825638
LDB: Partitioning computes with target load 3.682564
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.056096
LDB: ============== END OF LOAD BALANCING =============== 54.5553
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.5562
Info: Initial time: 4 CPUs 0.473994 s/step 5.48604 days/ns 3221.56 MB memory
TIMING: 100 CPU: 48.3712, 0.473042/step Wall: 48.3712, 0.473042/step, 0.0525603 hours remaining, 3221.558594 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 ============== 63.9989
LDB: ============== END OF LOAD BALANCING =============== 63.9989
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9995
TIMING: 120 CPU: 57.8142, 0.472152/step Wall: 57.8142, 0.472152/step, 0.0498382 hours remaining, 3221.753906 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 138 21874.8524 19195.4801 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9640 -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: 67.2506, 0.471819/step Wall: 67.2506, 0.471819/step, 0.0471819 hours remaining, 3221.882812 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 140 20992.5978 17997.1577 5722.1741 192.2140 -333726.9442 21127.4061 0.0000 0.0000 45144.2514 -222551.1432 164.2224 -267695.3946 -222224.0361 164.2224 -5617.7627 -3080.3638 921491.4634 -5617.7627 -3080.3638
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 160 CPU: 76.6747, 0.471203/step Wall: 76.6747, 0.471203/step, 0.0445025 hours remaining, 3222.175781 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: 86.0893, 0.470732/step Wall: 86.0893, 0.470732/step, 0.0418428 hours remaining, 3222.175781 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 186 19266.0405 19234.9570 5686.4352 181.9571 -332240.0936 21043.7459 0.0000 0.0000 44391.5887 -222435.3690 161.4844 -266826.9578 -222129.2886 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4302 5678.7398 184.6336 -333156.1125 21076.9264 0.0000 0.0000 42449.0057 -222222.0800 154.4178 -264671.0857 -222130.9078 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 101.689
LDB: Largest compute 200 load 0.426682 is 1.2% of average load 36.650221
LDB: Average compute 0.051331 is 0.1% of average load 36.650221
LDB: TIME 101.691 LOAD: AVG 36.6502 MAX 37.6897 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.53 MB
LDB: TIME 101.693 LOAD: AVG 36.6502 MAX 37.5415 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.53 MB
LDB: ============== END OF LOAD BALANCING =============== 101.695
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.698
Info: Initial time: 4 CPUs 0.471259 s/step 5.45438 days/ns 3223.53 MB memory
TIMING: 200 CPU: 95.507, 0.470884/step Wall: 95.507, 0.470884/step, 0.0392404 hours remaining, 3223.527344 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: 203 20743.8946 19130.0391 5729.2400 192.0764 -333501.9371 21215.8253 0.0000 0.0000 44059.6985 -222431.1633 160.2771 -266490.8618 -222093.6425 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
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ENERGY: 208 20293.2703 20371.8902 5718.1572 182.8654 -334789.2377 21322.2409 0.0000 0.0000 44428.6270 -222472.1867 161.6191 -266900.8137 -222122.6316 161.6191 -3669.0643 -2719.7953 921491.4634 -3669.0643 -2719.7953
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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: 210 21385.1735 20194.2568 5705.3139 178.4614 -336615.7769 21385.1095 0.0000 0.0000 45251.4334 -222516.0284 164.6123 -267767.4618 -222108.2018 164.6123 -6091.3664 -2896.2628 921491.4634 -6091.3664 -2896.2628
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ENERGY: 212 23739.2710 19730.8222 5710.0295 176.0352 -336013.6224 21412.5982 0.0000 0.0000 42995.1638 -222249.7024 156.4046 -265244.8662 -222104.2317 156.4046 -4424.1003 -2820.3211 921491.4634 -4424.1003 -2820.3211
ENERGY: 213 20150.2160 19524.5248 5720.1722 175.9508 -334874.6440 21380.5551 0.0000 0.0000 45418.7806 -222504.4445 165.2210 -267923.2251 -222097.3833 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
ENERGY: 214 17315.5529 19421.7448 5733.3059 176.6827 -333645.3934 21358.4485 0.0000 0.0000 46958.4703 -222681.1883 170.8220 -269639.6587 -222093.7405 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5055 19441.9743 5746.5772 178.1492 -332787.3320 21379.5595 0.0000 0.0000 45302.6747 -222527.8915 164.7987 -267830.5662 -222091.0445 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4717 19522.5061 5756.9571 180.1770 -332560.1061 21436.4835 0.0000 0.0000 42442.1789 -222248.3317 154.3930 -264690.5106 -222073.6155 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3868 19581.4820 5762.2416 182.5517 -333010.6758 21497.2705 0.0000 0.0000 41983.6752 -222225.0682 152.7251 -264208.7433 -222064.4464 152.7251 -882.1699 -2598.7244 921491.4634 -882.1699 -2598.7244
ENERGY: 218 20165.9157 19540.0891 5761.2415 184.9927 -333856.1148 21546.6560 0.0000 0.0000 44178.6837 -222478.5360 160.7099 -266657.2197 -222068.8154 160.7099 -2628.0653 -2703.9747 921491.4634 -2628.0653 -2703.9747
ENERGY: 219 19429.8641 19413.3933 5754.3577 187.2447 -334778.0710 21596.8808 0.0000 0.0000 45751.9298 -222644.4006 166.4329 -268396.3305 -222073.1719 166.4329 -4457.7333 -2810.5237 921491.4634 -4457.7333 -2810.5237
TIMING: 220 CPU: 104.921, 0.470719/step Wall: 104.921, 0.470719/step, 0.0366115 hours remaining, 3223.527344 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: 114.327, 0.470278/step Wall: 114.327, 0.470278/step, 0.0339645 hours remaining, 3223.527344 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: 248 19035.4925 20164.4294 5713.8450 181.3144 -335623.1351 21746.4309 0.0000 0.0000 46185.9363 -222595.6866 168.0117 -268781.6229 -222090.3128 168.0117 -1359.1248 -2608.3066 921491.4634 -1359.1248 -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 20899.4410 18950.9579 5693.4518 195.6570 -332975.5972 21757.6846 0.0000 0.0000 43181.1611 -222297.2438 157.0812 -265478.4049 -222071.2739 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
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TIMING: 260 CPU: 123.723, 0.469805/step Wall: 123.723, 0.469805/step, 0.0313203 hours remaining, 3223.835938 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 19781.1227 20140.5620 5703.8103 187.9445 -335614.9707 21924.4739 0.0000 0.0000 45349.7773 -222527.2801 164.9700 -267877.0574 -222051.1544 164.9700 -2647.8114 -2773.3903 921491.4634 -2647.8114 -2773.3903
ENERGY: 264 19385.2259 20436.4303 5710.6950 187.5052 -334855.9509 21907.7771 0.0000 0.0000 44751.4785 -222476.8388 162.7936 -267228.3173 -222069.1983 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
ENERGY: 265 19946.8416 20681.9923 5713.6241 187.4392 -334395.6630 21906.0162 0.0000 0.0000 43607.6375 -222352.1120 158.6326 -265959.7495 -222054.3371 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7900 20788.8698 5712.1327 187.6137 -334399.4576 21914.4804 0.0000 0.0000 43399.3797 -222348.1912 157.8750 -265747.5709 -222054.3634 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0906 20691.2677 5707.0583 187.8501 -334831.4855 21930.8373 0.0000 0.0000 44220.2169 -222446.1645 160.8610 -266666.3815 -222055.6584 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9160 20375.7514 5700.1930 187.9286 -335513.7449 21959.1257 0.0000 0.0000 44823.5378 -222504.2923 163.0557 -267327.8302 -222075.9874 163.0557 -2903.2126 -2658.6181 921491.4634 -2903.2126 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1933 19450.9167 5690.3173 187.1618 -336650.6774 22028.8070 0.0000 0.0000 44308.0075 -222365.2737 161.1804 -266673.2812 -222067.0434 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
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ENERGY: 272 21021.5583 18896.0662 5692.8269 184.9335 -335921.4612 22015.0580 0.0000 0.0000 45607.7076 -222503.3108 165.9083 -268111.0184 -222081.1570 165.9083 -2551.9682 -2501.8804 921491.4634 -2551.9682 -2501.8804
ENERGY: 273 20123.2134 18932.9081 5697.5118 183.8526 -334925.7010 21985.5296 0.0000 0.0000 45502.7161 -222499.9693 165.5264 -268002.6854 -222069.0456 165.5264 -1837.1974 -2434.6759 921491.4634 -1837.1974 -2434.6759
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ENERGY: 276 19401.8503 19594.7509 5701.2547 182.4904 -333292.1281 21971.0410 0.0000 0.0000 44028.5270 -222412.2139 160.1637 -266440.7409 -222072.9394 160.1637 -1580.1300 -2417.6041 921491.4634 -1580.1300 -2417.6041
ENERGY: 277 19149.2972 19724.7161 5695.5210 182.9396 -333864.3454 21997.2388 0.0000 0.0000 44632.8111 -222481.8217 162.3619 -267114.6328 -222061.0987 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4577 19713.7760 5686.9122 183.6585 -334821.1003 22041.3360 0.0000 0.0000 44532.2540 -222463.7060 161.9961 -266995.9601 -222063.4130 161.9961 -3254.8157 -2593.7696 921491.4634 -3254.8157 -2593.7696
ENERGY: 279 21984.3649 19593.9431 5677.5176 184.5187 -335888.5800 22096.4200 0.0000 0.0000 43975.0879 -222376.7278 159.9693 -266351.8158 -222065.2022 159.9693 -4044.3213 -2682.8389 921491.4634 -4044.3213 -2682.8389
TIMING: 280 CPU: 133.105, 0.469107/step Wall: 133.105, 0.469107/step, 0.0286677 hours remaining, 3223.835938 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 282 20943.7897 19615.5377 5669.9796 186.8360 -336942.5030 22176.7655 0.0000 0.0000 45823.3369 -222526.2576 166.6927 -268349.5945 -222063.3314 166.6927 -2992.3270 -2779.3667 921491.4634 -2992.3270 -2779.3667
ENERGY: 283 20432.1059 19966.6613 5678.8137 187.1634 -336251.9196 22171.0649 0.0000 0.0000 45328.8520 -222487.2585 164.8939 -267816.1105 -222060.8458 164.8939 -2008.7734 -2748.2305 921491.4634 -2008.7734 -2748.2305
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ENERGY: 285 20203.3288 20789.9627 5707.3565 186.7145 -334827.1962 22167.0166 0.0000 0.0000 43418.2628 -222354.5543 157.9437 -265772.8172 -222053.5965 157.9437 -1010.8437 -2700.0819 921491.4634 -1010.8437 -2700.0819
ENERGY: 286 19396.6310 20966.5620 5721.5031 185.8230 -334658.1145 22176.6864 0.0000 0.0000 43785.6880 -222425.2211 159.2803 -266210.9090 -222054.0581 159.2803 -1306.7502 -2717.2846 921491.4634 -1306.7502 -2717.2846
ENERGY: 287 19176.1190 20856.7821 5731.9346 184.4714 -334918.1477 22200.2911 0.0000 0.0000 44282.9437 -222485.6058 161.0892 -266768.5494 -222055.7251 161.0892 -2148.9613 -2753.3343 921491.4634 -2148.9613 -2753.3343
ENERGY: 288 20263.2088 20475.2851 5736.9557 182.7335 -335468.3147 22237.9038 0.0000 0.0000 44116.9903 -222455.2375 160.4855 -266572.2278 -222066.9053 160.4855 -3310.5880 -2790.1553 921491.4634 -3310.5880 -2790.1553
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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 22615.9845 19325.5267 5730.3279 178.6973 -336571.4573 22308.2175 0.0000 0.0000 44027.4231 -222385.2803 160.1597 -266412.7034 -222063.4684 160.1597 -4815.3286 -2796.0389 921491.4634 -4815.3286 -2796.0389
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LDB: ============= START OF LOAD BALANCING ============== 148.698
LDB: Largest compute 230 load 0.521088 is 1.1% of average load 45.794727
LDB: Average compute 0.064146 is 0.1% of average load 45.794727
LDB: TIME 148.7 LOAD: AVG 45.7947 MAX 46.9899 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.19 MB
LDB: TIME 148.701 LOAD: AVG 45.7947 MAX 46.9899 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.19 MB
LDB: TIME 148.715 LOAD: AVG 45.7947 MAX 46.3158 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.19 MB
LDB: ============== END OF LOAD BALANCING =============== 148.716
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.718
Info: Initial time: 4 CPUs 0.469715 s/step 5.43652 days/ns 3224.19 MB memory
TIMING: 300 CPU: 142.498, 0.469647/step Wall: 142.498, 0.469647/step, 0.0260915 hours remaining, 3224.187500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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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: 151.722, 0.461184/step Wall: 151.722, 0.461184/step, 0.0230592 hours remaining, 3224.187500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 323 21976.7004 21085.8078 5695.4506 181.8003 -337194.0744 22550.8103 0.0000 0.0000 43361.4905 -222342.0146 157.7372 -265703.5051 -222061.4465 157.7372 -3808.3603 -2616.6943 921491.4634 -3808.3603 -2616.6943
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ENERGY: 327 20020.7820 19506.2796 5669.7116 187.2139 -334851.2531 22513.0146 0.0000 0.0000 44550.7426 -222403.5089 162.0634 -266954.2515 -222059.8760 162.0634 -657.4991 -2506.5013 921491.4634 -657.4991 -2506.5013
ENERGY: 328 20934.1979 19092.0094 5666.7484 187.7399 -335303.4713 22549.7453 0.0000 0.0000 44493.2355 -222379.7949 161.8542 -266873.0304 -222061.7260 161.8542 -1393.2039 -2547.3518 921491.4634 -1393.2039 -2547.3518
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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 19127.9134 19639.0993 5698.6022 180.2744 -334271.7857 22519.6999 0.0000 0.0000 44649.6650 -222456.5316 162.4232 -267106.1966 -222055.6201 162.4232 -1093.5005 -2488.8702 921491.4634 -1093.5005 -2488.8702
ENERGY: 337 20420.1634 19649.7061 5693.3319 179.7347 -334824.3560 22536.4224 0.0000 0.0000 43995.6000 -222349.3976 160.0439 -266344.9976 -222040.1025 160.0439 -1064.7184 -2460.5859 921491.4634 -1064.7184 -2460.5859
ENERGY: 338 21007.5747 19722.4641 5687.5590 179.5437 -335808.8623 22564.1945 0.0000 0.0000 44285.9174 -222361.6088 161.1000 -266647.5263 -222041.5958 161.1000 -1500.9500 -2462.8576 921491.4634 -1500.9500 -2462.8576
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TIMING: 340 CPU: 160.94, 0.460892/step Wall: 160.94, 0.460892/step, 0.0204841 hours remaining, 3224.187500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 344 19898.5080 20447.2068 5699.9573 182.0106 -336095.2680 22596.5930 0.0000 0.0000 44790.9366 -222480.0558 162.9371 -267270.9924 -222071.3577 162.9371 -2338.1159 -2329.7492 921491.4634 -2338.1159 -2329.7492
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ENERGY: 347 20669.8296 19583.9412 5696.3950 182.8447 -334881.4391 22581.1984 0.0000 0.0000 43831.1329 -222336.0974 159.4456 -266167.2303 -222056.9472 159.4456 -1358.8146 -2194.9212 921491.4634 -1358.8146 -2194.9212
ENERGY: 348 21062.2473 19315.9905 5689.3479 182.7918 -335425.6676 22604.2202 0.0000 0.0000 44195.9876 -222375.0822 160.7729 -266571.0698 -222064.0950 160.7729 -1766.2768 -2218.9158 921491.4634 -1766.2768 -2218.9158
ENERGY: 349 20718.9517 19143.3232 5681.9008 182.6959 -336197.3790 22630.4376 0.0000 0.0000 45349.6295 -222490.4403 164.9695 -267840.0698 -222056.3112 164.9695 -2336.6408 -2270.6250 921491.4634 -2336.6408 -2270.6250
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 350 21009.3451 19066.8676 5675.7227 182.5405 -336836.8361 22661.9756 0.0000 0.0000 45710.0737 -222530.3109 166.2807 -268240.3845 -222058.0879 166.2807 -2896.5510 -2326.8868 921491.4634 -2896.5510 -2326.8868
ENERGY: 351 22235.3179 19085.8715 5672.3994 182.3762 -337072.3451 22693.2958 0.0000 0.0000 44770.4137 -222432.6707 162.8625 -267203.0844 -222058.6358 162.8625 -3254.0186 -2369.0508 921491.4634 -3254.0186 -2369.0508
ENERGY: 352 22912.9248 19180.1282 5672.7329 182.2243 -336794.7855 22708.6921 0.0000 0.0000 43795.3992 -222342.6840 159.3156 -266138.0832 -222059.3896 159.3156 -3190.0134 -2394.0289 921491.4634 -3190.0134 -2394.0289
ENERGY: 353 21825.9775 19344.0936 5676.6445 182.1014 -336147.6547 22699.4234 0.0000 0.0000 44043.1854 -222376.2289 160.2170 -266419.4143 -222047.6761 160.2170 -2709.1539 -2407.4662 921491.4634 -2709.1539 -2407.4662
ENERGY: 354 19814.0381 19544.5091 5682.7361 181.9868 -335375.1820 22676.8667 0.0000 0.0000 44983.0755 -222491.9697 163.6361 -267475.0452 -222046.2241 163.6361 -2040.9896 -2415.4740 921491.4634 -2040.9896 -2415.4740
ENERGY: 355 18879.8417 19773.7507 5689.2466 181.9196 -334823.9953 22664.4421 0.0000 0.0000 45120.2677 -222514.5269 164.1351 -267634.7946 -222044.8381 164.1351 -1600.3167 -2424.6826 921491.4634 -1600.3167 -2424.6826
ENERGY: 356 19622.4370 20015.8107 5694.4280 181.9402 -334758.7689 22674.4079 0.0000 0.0000 44153.0885 -222416.6565 160.6168 -266569.7450 -222053.0962 160.6168 -1622.0262 -2446.8265 921491.4634 -1622.0262 -2446.8265
ENERGY: 357 20687.2712 20255.1053 5697.1708 182.0215 -335288.0644 22700.2949 0.0000 0.0000 43438.0176 -222328.1831 158.0156 -265766.2007 -222042.2330 158.0156 -2061.3607 -2486.6661 921491.4634 -2061.3607 -2486.6661
ENERGY: 358 20785.4068 20424.8427 5696.9833 182.1295 -336225.9477 22730.2418 0.0000 0.0000 44019.5821 -222386.7616 160.1311 -266406.3437 -222043.9945 160.1311 -2636.8581 -2541.3592 921491.4634 -2636.8581 -2541.3592
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TIMING: 360 CPU: 170.153, 0.460653/step Wall: 170.153, 0.460653/step, 0.0179143 hours remaining, 3224.187500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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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 20646.4610 20251.1590 5706.5521 182.3249 -335763.5803 22794.3774 0.0000 0.0000 43848.2755 -222334.4303 159.5080 -266182.7059 -222041.4014 159.5080 -1819.5858 -2472.4986 921491.4634 -1819.5858 -2472.4986
ENERGY: 378 20473.8102 20495.6592 5711.4639 183.2952 -336584.2280 22821.5837 0.0000 0.0000 44474.7537 -222423.6622 161.7869 -266898.4159 -222044.3968 161.7869 -2972.9874 -2523.3499 921491.4634 -2972.9874 -2523.3499
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TIMING: 380 CPU: 179.357, 0.460231/step Wall: 179.357, 0.460231/step, 0.015341 hours remaining, 3224.187500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 386 19981.2273 19220.9465 5707.6638 175.9384 -334865.1819 22880.7957 0.0000 0.0000 44519.8586 -222378.7516 161.9510 -266898.6102 -222051.0437 161.9510 122.6670 -2011.2428 921491.4634 122.6670 -2011.2428
ENERGY: 387 20367.2861 19202.4844 5710.9354 174.6759 -335109.8727 22905.2743 0.0000 0.0000 44377.1815 -222372.0349 161.4320 -266749.2164 -222053.0050 161.4320 -738.9585 -2019.1689 921491.4634 -738.9585 -2019.1689
ENERGY: 388 20282.3988 19280.0168 5717.2935 173.7038 -335824.1518 22938.2900 0.0000 0.0000 44972.7760 -222459.6730 163.5986 -267432.4490 -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
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ENERGY: 398 19692.8117 20133.3593 5716.9814 176.0456 -336812.3382 23014.0586 0.0000 0.0000 45592.7321 -222486.3496 165.8538 -268079.0817 -222045.7222 165.8538 -1710.2237 -2443.6965 921491.4634 -1710.2237 -2443.6965
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LDB: ============= START OF LOAD BALANCING ============== 194.785
LDB: Largest compute 230 load 0.529387 is 1.2% of average load 45.690282
LDB: Average compute 0.063985 is 0.1% of average load 45.690282
LDB: TIME 194.787 LOAD: AVG 45.6903 MAX 46.0673 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.19 MB
LDB: TIME 194.787 LOAD: AVG 45.6903 MAX 46.0673 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.19 MB
LDB: TIME 194.787 LOAD: AVG 45.6903 MAX 46.0673 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.19 MB
LDB: ============== END OF LOAD BALANCING =============== 194.788
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.789
Info: Benchmark time: 4 CPUs 0.460611 s/step 5.33114 days/ns 3224.19 MB memory
TIMING: 400 CPU: 188.563, 0.460294/step Wall: 188.563, 0.460294/step, 0.0127859 hours remaining, 3224.187500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 403 20784.9695 19778.4828 5715.7218 174.2695 -337239.9786 23077.8404 0.0000 0.0000 45225.5963 -222483.0982 164.5183 -267708.6946 -222046.6852 164.5183 -3613.5976 -2605.7427 921491.4634 -3613.5976 -2605.7427
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ENERGY: 408 19735.8472 19387.6644 5692.2152 187.5226 -335902.8228 23017.8178 0.0000 0.0000 45394.4123 -222487.3435 165.1324 -267881.7557 -222063.5314 165.1324 -920.8282 -2294.1555 921491.4634 -920.8282 -2294.1555
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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: 413 21130.1417 20138.5247 5699.9334 199.7191 -337872.5328 23125.1121 0.0000 0.0000 45113.2145 -222465.8871 164.1095 -267579.1017 -222055.3455 164.1095 -3850.6268 -2398.9549 921491.4634 -3850.6268 -2398.9549
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ENERGY: 416 19942.3170 20661.9896 5710.0857 195.6954 -336157.5870 23063.1720 0.0000 0.0000 44200.2852 -222384.0421 160.7885 -266584.3273 -222052.9644 160.7885 -282.7613 -2224.6896 921491.4634 -282.7613 -2224.6896
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ENERGY: 418 20154.6649 20457.0911 5705.5847 188.6537 -336970.7876 23098.6731 0.0000 0.0000 44915.1422 -222450.9778 163.3889 -267366.1200 -222046.7093 163.3889 -671.8546 -2269.9920 921491.4634 -671.8546 -2269.9920
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TIMING: 420 CPU: 197.743, 0.458977/step Wall: 197.743, 0.458977/step, 0.0101995 hours remaining, 3224.187500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 425 19942.3360 19314.5609 5697.3263 169.6877 -335607.5214 23103.7925 0.0000 0.0000 44956.0481 -222423.7700 163.5377 -267379.8181 -222050.7966 163.5377 -1980.9652 -2297.0089 921491.4634 -1980.9652 -2297.0089
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ENERGY: 428 20140.4228 19760.4172 5710.4629 168.5259 -336199.9859 23087.7681 0.0000 0.0000 44884.2594 -222448.1297 163.2766 -267332.3891 -222058.0550 163.2766 -935.5732 -2206.9583 921491.4634 -935.5732 -2206.9583
ENERGY: 429 21147.3675 19912.0620 5712.1358 168.3557 -337181.5913 23116.4525 0.0000 0.0000 44706.5244 -222418.6935 162.6300 -267125.2179 -222045.4881 162.6300 -1630.8085 -2233.4560 921491.4634 -1630.8085 -2233.4560
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9871 20024.3738 5712.1700 168.1897 -338096.9210 23149.4497 0.0000 0.0000 44626.3100 -222402.4407 162.3383 -267028.7507 -222047.3915 162.3383 -2472.2455 -2268.0464 921491.4634 -2472.2455 -2268.0464
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ENERGY: 432 21768.3704 20188.6724 5710.3547 168.1086 -338651.2108 23176.0849 0.0000 0.0000 45177.9910 -222461.6288 164.3451 -267639.6198 -222065.9061 164.3451 -3350.2741 -2296.1497 921491.4634 -3350.2741 -2296.1497
ENERGY: 433 21200.9072 20275.9663 5710.3763 168.4633 -338164.0644 23162.2914 0.0000 0.0000 45192.9285 -222453.1314 164.3995 -267646.0600 -222052.5985 164.3995 -3187.3732 -2272.1276 921491.4634 -3187.3732 -2272.1276
ENERGY: 434 20730.3411 20338.1499 5711.6061 169.3247 -337394.2711 23140.7738 0.0000 0.0000 44883.1000 -222420.9755 163.2724 -267304.0755 -222051.1465 163.2724 -2694.3107 -2227.7885 921491.4634 -2694.3107 -2227.7885
ENERGY: 435 20235.2201 20362.4015 5714.0003 170.8455 -336680.6562 23123.4100 0.0000 0.0000 44675.9841 -222398.7947 162.5190 -267074.7788 -222049.5892 162.5190 -2061.3582 -2179.8951 921491.4634 -2061.3582 -2179.8951
ENERGY: 436 19670.9244 20349.9982 5717.2346 173.0864 -336303.8816 23119.9081 0.0000 0.0000 44847.0983 -222425.6317 163.1414 -267272.7300 -222059.6959 163.1414 -1520.6597 -2145.1615 921491.4634 -1520.6597 -2145.1615
ENERGY: 437 19434.5518 20329.5093 5720.9894 175.9827 -336411.9789 23136.3871 0.0000 0.0000 45159.2687 -222455.2900 164.2770 -267614.5587 -222050.7502 164.2770 -1319.1168 -2134.4847 921491.4634 -1319.1168 -2134.4847
ENERGY: 438 19935.1532 20278.6097 5724.6884 179.3848 -336899.4580 23173.5522 0.0000 0.0000 45148.1324 -222459.9373 164.2365 -267608.0698 -222051.5668 164.2365 -1493.0940 -2145.0879 921491.4634 -1493.0940 -2145.0879
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TIMING: 440 CPU: 206.918, 0.458777/step Wall: 206.918, 0.458777/step, 0.00764629 hours remaining, 3224.187500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5683 20036.2372 5729.7527 186.7201 -338123.1812 23276.2488 0.0000 0.0000 44417.5460 -222405.1081 161.5788 -266822.6541 -222059.4775 161.5788 -2408.4611 -2197.9671 921491.4634 -2408.4611 -2197.9671
ENERGY: 441 22355.5487 19860.0409 5730.3488 190.1145 -338361.1721 23313.2047 0.0000 0.0000 44502.6965 -222409.2180 161.8886 -266911.9145 -222050.0861 161.8886 -2716.1026 -2221.5313 921491.4634 -2716.1026 -2221.5313
ENERGY: 442 21853.6119 19664.5349 5729.4855 192.9411 -338090.1539 23327.1570 0.0000 0.0000 44880.6321 -222441.7915 163.2634 -267322.4236 -222049.7757 163.2634 -2710.5575 -2229.0695 921491.4634 -2710.5575 -2229.0695
ENERGY: 443 21064.3316 19487.0722 5727.6165 194.9329 -337369.3157 23320.0160 0.0000 0.0000 45118.1109 -222457.2356 164.1273 -267575.3465 -222048.5997 164.1273 -2448.1647 -2220.3530 921491.4634 -2448.1647 -2220.3530
ENERGY: 444 20449.3363 19357.2689 5725.4095 195.8735 -336464.1929 23301.5278 0.0000 0.0000 44987.7179 -222447.0589 163.6530 -267434.7769 -222057.9799 163.6530 -2090.2098 -2206.4398 921491.4634 -2090.2098 -2206.4398
ENERGY: 445 20125.5609 19307.2517 5723.6513 195.6942 -335759.3922 23283.8141 0.0000 0.0000 44708.7156 -222414.7043 162.6380 -267123.4199 -222046.5430 162.6380 -1846.9626 -2201.6924 921491.4634 -1846.9626 -2201.6924
ENERGY: 446 19947.6807 19324.9005 5722.5430 194.3235 -335494.5716 23276.0453 0.0000 0.0000 44620.2945 -222408.7840 162.3164 -267029.0785 -222046.1622 162.3164 -1800.7518 -2216.7292 921491.4634 -1800.7518 -2216.7292
ENERGY: 447 19914.2851 19416.0209 5722.2107 191.8641 -335769.4408 23282.7460 0.0000 0.0000 44816.5088 -222425.8051 163.0301 -267242.3139 -222046.8344 163.0301 -1993.3112 -2253.0601 921491.4634 -1993.3112 -2253.0601
ENERGY: 448 20187.5922 19583.6799 5722.5765 188.5554 -336503.1808 23303.8907 0.0000 0.0000 45065.6676 -222451.2186 163.9365 -267516.8862 -222059.3481 163.9365 -2372.1878 -2303.7897 921491.4634 -2372.1878 -2303.7897
ENERGY: 449 20877.4059 19832.6984 5723.5713 184.8596 -337500.9078 23334.5926 0.0000 0.0000 45101.1681 -222446.6120 164.0657 -267547.7801 -222047.7100 164.0657 -2827.1079 -2356.1406 921491.4634 -2827.1079 -2356.1406
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 181.0898 -338419.3256 23364.6246 0.0000 0.0000 44854.3099 -222432.2087 163.1677 -267286.5186 -222048.7861 163.1677 -3116.6754 -2394.3895 921491.4634 -3116.6754 -2394.3895
ENERGY: 451 22355.5902 20357.7253 5724.7144 177.6517 -338952.0915 23381.8011 0.0000 0.0000 44542.6988 -222411.9101 162.0341 -266954.6089 -222048.8246 162.0341 -3074.2530 -2405.7796 921491.4634 -3074.2530 -2405.7796
ENERGY: 452 22246.2015 20536.0132 5723.8953 174.8859 -338927.1543 23378.0948 0.0000 0.0000 44452.9198 -222415.1439 161.7075 -266868.0636 -222059.6369 161.7075 -2659.9602 -2384.7566 921491.4634 -2659.9602 -2384.7566
ENERGY: 453 21399.8726 20641.1309 5722.2878 173.1350 -338392.7941 23354.5912 0.0000 0.0000 44683.7035 -222418.0729 162.5470 -267101.7765 -222043.5371 162.5470 -2048.3336 -2342.4666 921491.4634 -2048.3336 -2342.4666
ENERGY: 454 20248.3381 20654.1373 5720.2217 172.3637 -337567.1423 23320.6906 0.0000 0.0000 45008.1467 -222443.2441 163.7273 -267451.3907 -222041.8390 163.7273 -1453.4577 -2293.1448 921491.4634 -1453.4577 -2293.1448
ENERGY: 455 19486.7908 20584.7121 5718.4844 172.5169 -336790.6462 23290.4029 0.0000 0.0000 45086.5788 -222451.1602 164.0126 -267537.7390 -222040.8569 164.0126 -1151.8823 -2255.8569 921491.4634 -1151.8823 -2255.8569
ENERGY: 456 19493.3725 20440.6802 5717.7556 173.4248 -336350.1087 23274.9637 0.0000 0.0000 44811.4723 -222438.4396 163.0118 -267249.9120 -222055.3487 163.0118 -1305.5005 -2245.5822 921491.4634 -1305.5005 -2245.5822
ENERGY: 457 20047.4931 20251.9436 5718.5580 174.9241 -336395.8175 23277.8280 0.0000 0.0000 44521.8703 -222403.2004 161.9583 -266925.0706 -222049.4134 161.9583 -1906.4165 -2263.5012 921491.4634 -1906.4165 -2263.5012
ENERGY: 458 20585.8435 20019.2724 5720.7061 176.6081 -336835.0969 23294.7179 0.0000 0.0000 44632.7888 -222405.1601 162.3618 -267037.9489 -222051.2824 162.3618 -2684.6987 -2301.0426 921491.4634 -2684.6987 -2301.0426
ENERGY: 459 20903.4944 19784.9691 5724.0021 178.1985 -337468.1652 23318.6989 0.0000 0.0000 45113.9368 -222444.8654 164.1121 -267558.8022 -222053.1413 164.1121 -3350.5830 -2341.5795 921491.4634 -3350.5830 -2341.5795
TIMING: 460 CPU: 216.08, 0.458071/step Wall: 216.08, 0.458071/step, 0.00508968 hours remaining, 3224.187500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6138 19597.9064 5728.0971 179.4910 -338014.3775 23341.8008 0.0000 0.0000 45423.8565 -222480.6118 165.2395 -267904.4683 -222064.6838 165.2395 -3669.8200 -2365.2411 921491.4634 -3669.8200 -2365.2411
ENERGY: 461 21862.8763 19507.1076 5732.5752 180.4333 -338251.6222 23355.3941 0.0000 0.0000 45154.6136 -222458.6221 164.2601 -267613.2357 -222058.0509 164.2601 -3556.1664 -2361.1798 921491.4634 -3556.1664 -2361.1798
ENERGY: 462 22264.2255 19487.8109 5736.4822 180.9531 -337988.7176 23351.1092 0.0000 0.0000 44559.9290 -222408.2076 162.0968 -266968.1366 -222056.7216 162.0968 -2954.8198 -2323.4250 921491.4634 -2954.8198 -2323.4250
ENERGY: 463 21821.1790 19513.9015 5738.9361 181.1160 -337284.1034 23326.9483 0.0000 0.0000 44313.4571 -222388.5654 161.2002 -266702.0225 -222054.6244 161.2002 -2012.4422 -2264.0777 921491.4634 -2012.4422 -2264.0777
ENERGY: 464 20535.2459 19559.9272 5739.2518 181.0096 -336389.3845 23291.1948 0.0000 0.0000 44654.0267 -222428.7286 162.4391 -267082.7553 -222058.5730 162.4391 -1050.9226 -2205.5267 921491.4634 -1050.9226 -2205.5267
ENERGY: 465 19322.7828 19631.8854 5737.2898 180.7155 -335701.1540 23259.7397 0.0000 0.0000 45094.5688 -222474.1721 164.0416 -267568.7408 -222052.9389 164.0416 -512.3346 -2174.4007 921491.4634 -512.3346 -2174.4007
ENERGY: 466 19088.4513 19708.3581 5733.2107 180.2808 -335443.7733 23245.0610 0.0000 0.0000 45020.7907 -222467.6207 163.7733 -267488.4114 -222052.9786 163.7733 -630.3314 -2182.6709 921491.4634 -630.3314 -2182.6709
ENERGY: 467 19841.8072 19783.1743 5727.6703 179.7757 -335721.0960 23249.4536 0.0000 0.0000 44523.6665 -222415.5483 161.9649 -266939.2149 -222054.3496 161.9649 -1393.6030 -2232.5923 921491.4634 -1393.6030 -2232.5923
ENERGY: 468 20761.8483 19845.4943 5721.5089 179.2779 -336451.5678 23265.8132 0.0000 0.0000 44291.6588 -222385.9666 161.1209 -266677.6253 -222056.3593 161.1209 -2508.6714 -2314.1339 921491.4634 -2508.6714 -2314.1339
ENERGY: 469 21236.3015 19910.2022 5715.6824 178.8504 -337458.3214 23284.3968 0.0000 0.0000 44720.3207 -222412.5675 162.6802 -267132.8882 -222046.0753 162.6802 -3596.7405 -2405.7971 921491.4634 -3596.7405 -2405.7971
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1731 19972.8935 5710.9491 178.5947 -338383.2520 23297.0678 0.0000 0.0000 45346.4579 -222466.1159 164.9580 -267812.5738 -222047.6091 164.9580 -4259.6993 -2477.6830 921491.4634 -4259.6993 -2477.6830
ENERGY: 471 21732.8679 20054.6836 5707.9626 178.5890 -338913.2465 23297.5091 0.0000 0.0000 45471.3370 -222470.2973 165.4122 -267941.6343 -222047.5362 165.4122 -4290.5681 -2504.3174 921491.4634 -4290.5681 -2504.3174
ENERGY: 472 22081.2362 20161.5553 5707.0091 178.9047 -338870.6778 23279.4497 0.0000 0.0000 45028.5300 -222433.9929 163.8014 -267462.5229 -222059.5058 163.8014 -3659.7358 -2479.9182 921491.4634 -3659.7358 -2479.9182
ENERGY: 473 21866.1362 20289.3428 5707.9843 179.6165 -338307.7202 23240.7369 0.0000 0.0000 44634.5178 -222389.3859 162.3681 -267023.9037 -222043.8539 162.3681 -2556.3614 -2408.1656 921491.4634 -2556.3614 -2408.1656
ENERGY: 474 20842.9704 20372.0988 5710.2160 180.7466 -337438.4564 23189.2353 0.0000 0.0000 44733.2312 -222409.9581 162.7272 -267143.1893 -222041.2619 162.7272 -1295.5523 -2316.2727 921491.4634 -1295.5523 -2316.2727
ENERGY: 475 19674.2081 20371.7675 5712.9876 182.2512 -336604.2324 23142.3822 0.0000 0.0000 45070.2143 -222450.4216 163.9531 -267520.6359 -222039.4529 163.9531 -344.6449 -2232.2125 921491.4634 -344.6449 -2232.2125
ENERGY: 476 19235.7864 20282.0275 5715.7683 184.0125 -336100.0915 23115.8471 0.0000 0.0000 45106.0637 -222460.5860 164.0835 -267566.6498 -222053.6137 164.0835 -92.4050 -2183.0652 921491.4634 -92.4050 -2183.0652
ENERGY: 477 19704.7252 20145.9813 5718.4976 185.9230 -336101.8801 23114.2943 0.0000 0.0000 44812.3214 -222420.1373 163.0149 -267232.4587 -222044.8410 163.0149 -667.4946 -2171.8227 921491.4634 -667.4946 -2171.8227
ENERGY: 478 20493.4777 19974.7637 5721.0254 187.7262 -336537.4047 23131.2464 0.0000 0.0000 44627.0339 -222402.1313 162.3409 -267029.1653 -222047.4106 162.3409 -1807.1604 -2198.7955 921491.4634 -1807.1604 -2198.7955
ENERGY: 479 21125.3058 19793.3955 5723.3295 189.2099 -337215.5848 23156.6775 0.0000 0.0000 44802.1585 -222425.5081 162.9779 -267227.6666 -222050.5459 162.9779 -3089.8515 -2246.7917 921491.4634 -3089.8515 -2246.7917
TIMING: 480 CPU: 225.233, 0.457639/step Wall: 225.233, 0.457639/step, 0.00254244 hours remaining, 3224.187500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0328 19623.1963 5725.3111 190.1900 -337854.6797 23181.5121 0.0000 0.0000 45051.6821 -222458.7553 163.8856 -267510.4374 -222064.6212 163.8856 -4077.7326 -2291.4893 921491.4634 -4077.7326 -2291.4893
ENERGY: 481 22092.4855 19510.0432 5727.0952 190.6351 -338199.2492 23196.7961 0.0000 0.0000 45041.3375 -222440.8565 163.8480 -267482.1940 -222052.5268 163.8480 -4466.2394 -2305.6734 921491.4634 -4466.2394 -2305.6734
ENERGY: 482 22186.3467 19466.6794 5728.4964 190.3598 -338044.5429 23192.7476 0.0000 0.0000 44865.8527 -222414.0603 163.2096 -267279.9130 -222051.4115 163.2096 -4059.3098 -2278.0616 921491.4634 -4059.3098 -2278.0616
ENERGY: 483 21553.1413 19511.5745 5729.5660 189.3226 -337426.2196 23165.8742 0.0000 0.0000 44861.8977 -222414.8432 163.1953 -267276.7410 -222048.7675 163.1953 -2964.1723 -2216.4117 921491.4634 -2964.1723 -2216.4117
ENERGY: 484 20460.8926 19631.1939 5730.2465 187.5455 -336590.8891 23126.1353 0.0000 0.0000 45003.6040 -222451.2714 163.7107 -267454.8753 -222059.8739 163.7107 -1565.2424 -2143.1849 921491.4634 -1565.2424 -2143.1849
ENERGY: 485 19688.7722 19800.2991 5730.5256 185.2458 -335902.5874 23092.8472 0.0000 0.0000 44955.5732 -222449.3242 163.5360 -267404.8974 -222045.9602 163.5360 -422.1569 -2086.8735 921491.4634 -422.1569 -2086.8735
ENERGY: 486 19602.5429 19954.8176 5729.7198 182.4662 -335612.3576 23080.3809 0.0000 0.0000 44645.9124 -222416.5178 162.4096 -267062.4302 -222044.6757 162.4096 87.3180 -2070.0981 921491.4634 87.3180 -2070.0981
ENERGY: 487 19881.0927 20072.0213 5727.4348 179.4360 -335846.4491 23091.0545 0.0000 0.0000 44503.3502 -222392.0596 161.8910 -266895.4098 -222045.2403 161.8910 -192.2347 -2106.8840 921491.4634 -192.2347 -2106.8840
ENERGY: 488 20125.2099 20156.1362 5723.5441 176.4338 -336552.5465 23118.8618 0.0000 0.0000 44827.0567 -222425.3041 163.0685 -267252.3608 -222057.1938 163.0685 -1145.7535 -2194.6680 921491.4634 -1145.7535 -2194.6680
ENERGY: 489 20526.8872 20236.4610 5718.5749 173.8639 -337540.4668 23156.7311 0.0000 0.0000 45266.1014 -222461.8473 164.6656 -267727.9487 -222045.6086 164.6656 -2511.2405 -2316.7067 921491.4634 -2511.2405 -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 21410.7491 20292.9023 5712.8912 171.8438 -338458.1374 23196.4879 0.0000 0.0000 45213.5638 -222459.6993 164.4745 -267673.2631 -222048.2208 164.4745 -3823.4039 -2437.4155 921491.4634 -3823.4039 -2437.4155
ENERGY: 491 22430.4642 20312.1362 5707.3795 170.5404 -338984.5807 23226.0939 0.0000 0.0000 44733.0097 -222404.9568 162.7264 -267137.9666 -222049.4638 162.7264 -4629.6934 -2524.6215 921491.4634 -4629.6934 -2524.6215
ENERGY: 492 22612.9548 20289.6812 5702.9944 170.0208 -338937.5829 23232.7207 0.0000 0.0000 44542.1959 -222387.0151 162.0323 -266929.2110 -222060.3860 162.0323 -4606.8524 -2557.4730 921491.4634 -4606.8524 -2557.4730
ENERGY: 493 21558.2188 20260.7376 5700.7779 170.3200 -338358.0646 23214.0539 0.0000 0.0000 45033.8238 -222420.1326 163.8207 -267453.9564 -222046.5901 163.8207 -3796.3819 -2540.0996 921491.4634 -3796.3819 -2540.0996
ENERGY: 494 20068.3366 20225.0263 5700.9806 171.2193 -337454.3847 23183.0798 0.0000 0.0000 45622.2483 -222483.4939 165.9612 -268105.7422 -222044.0868 165.9612 -2500.8992 -2482.1069 921491.4634 -2500.8992 -2482.1069
ENERGY: 495 19383.2463 20186.8302 5703.5926 172.5416 -336566.9898 23159.4628 0.0000 0.0000 45484.1238 -222477.1925 165.4587 -267961.3163 -222041.5563 165.4587 -1249.6838 -2407.3056 921491.4634 -1249.6838 -2407.3056
ENERGY: 496 19722.4834 20130.6473 5708.0350 174.0933 -335998.7166 23154.2639 0.0000 0.0000 44699.5277 -222409.6659 162.6046 -267109.1936 -222049.0669 162.6046 -478.8997 -2343.4750 921491.4634 -478.8997 -2343.4750
ENERGY: 497 20212.6668 20059.9176 5713.4613 175.7242 -335952.5053 23166.3550 0.0000 0.0000 44261.0295 -222363.3509 161.0095 -266624.3805 -222042.7499 161.0095 -421.0232 -2316.7927 921491.4634 -421.0232 -2316.7927
ENERGY: 498 20182.0165 19957.1215 5718.5597 177.2604 -336366.4945 23189.3590 0.0000 0.0000 44728.2542 -222413.9232 162.7091 -267142.1774 -222044.5219 162.7091 -993.4678 -2331.6472 921491.4634 -993.4678 -2331.6472
ENERGY: 499 20158.0680 19847.7308 5722.4089 178.6361 -337058.4837 23219.2409 0.0000 0.0000 45439.2651 -222493.1338 165.2956 -267932.3989 -222047.2061 165.2956 -2020.8686 -2376.3389 921491.4634 -2020.8686 -2376.3389
Info: Benchmark time: 4 CPUs 0.457517 s/step 5.29534 days/ns 3224.19 MB memory
TIMING: 500 CPU: 234.315, 0.454129/step Wall: 234.315, 0.454129/step, 0 hours remaining, 3224.187500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8939 19756.6584 5724.4523 179.8271 -337741.4208 23251.1014 0.0000 0.0000 45359.0784 -222495.4093 165.0039 -267854.4876 -222061.0911 165.0039 -3197.5167 -2425.4141 921491.4634 -3197.5167 -2425.4141
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.840 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.840 MB of memory in use
====================================================
WallClock: 241.426865 CPUTime: 241.426865 Memory: 3229.839844 MB
[Partition 0][Node 0] End of program
Application 1110657 resources: utime ~949s, stime ~19s, Rss ~127172, inblocks ~66552, outblocks ~71878
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.426865
CPU=241.426865
MEM=3229.839844
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 16 18:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 16 18:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 16 18:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 16 18:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189503 Dec 16 18:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505293 Dec 16 18:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 16 18:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 16 18:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 16 18:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 16 18:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 16 18:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 16 18:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 16 18:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 16 18:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 16 18:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 16 18:21 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/jenkins11020717506131897548.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}
