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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 ============== 54.4464
LDB: Largest compute 200 load 0.429067 is 1.2% of average load 36.827550
LDB: Average compute 0.051594 is 0.1% of average load 36.827550
LDB: Partitioning computes with target load 3.682755
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055759
LDB: ============== END OF LOAD BALANCING =============== 54.4486
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.4495
Info: Initial time: 4 CPUs 0.473682 s/step 5.48243 days/ns 3221.57 MB memory
TIMING: 100 CPU: 48.3415, 0.472756/step Wall: 48.3415, 0.472756/step, 0.0525284 hours remaining, 3221.566406 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 ============== 63.8869
LDB: ============== END OF LOAD BALANCING =============== 63.887
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.8875
TIMING: 120 CPU: 57.7789, 0.471872/step Wall: 57.7789, 0.471872/step, 0.0498087 hours remaining, 3221.738281 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 -333203.4346 21083.5324 0.0000 0.0000 42784.9639 -222340.8741 155.6399 -265125.8380 -222213.1818 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.2074, 0.471426/step Wall: 67.2074, 0.471426/step, 0.0471426 hours remaining, 3221.921875 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 140 20992.5977 17997.1578 5722.1741 192.2140 -333726.9445 21127.4061 0.0000 0.0000 45144.2513 -222551.1436 164.2224 -267695.3950 -222224.0365 164.2224 -5617.7628 -3080.3639 921491.4634 -5617.7628 -3080.3639
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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: 76.6259, 0.470926/step Wall: 76.6259, 0.470926/step, 0.0444763 hours remaining, 3222.062500 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 18733.9559 5737.6245 154.5770 -332975.2978 21015.2133 0.0000 0.0000 43101.1544 -222314.9827 156.7902 -265416.1372 -222126.1324 156.7902 -2936.2257 -2665.7683 921491.4634 -2936.2257 -2665.7683
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TIMING: 180 CPU: 86.0333, 0.470367/step Wall: 86.0333, 0.470367/step, 0.0418104 hours remaining, 3222.222656 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 19266.0406 19234.9569 5686.4352 181.9571 -332240.0938 21043.7459 0.0000 0.0000 44391.5887 -222435.3694 161.4844 -266826.9581 -222129.2890 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2967 19471.4302 5678.7398 184.6336 -333156.1128 21076.9264 0.0000 0.0000 42449.0056 -222222.0803 154.4178 -264671.0860 -222130.9082 154.4178 -3641.8537 -2802.0867 921491.4634 -3641.8537 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 198 21224.0061 18800.3005 5711.3574 186.3640 -333385.5000 21161.1533 0.0000 0.0000 43911.2863 -222391.0324 159.7372 -266302.3187 -222090.4395 159.7372 -4381.6810 -2646.7680 921491.4634 -4381.6810 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.551
LDB: Largest compute 200 load 0.423971 is 1.2% of average load 36.651855
LDB: Average compute 0.051341 is 0.1% of average load 36.651855
LDB: TIME 101.553 LOAD: AVG 36.6519 MAX 37.6632 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.51 MB
LDB: TIME 101.555 LOAD: AVG 36.6519 MAX 37.5233 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.51 MB
LDB: ============== END OF LOAD BALANCING =============== 101.557
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.56
Info: Initial time: 4 CPUs 0.47096 s/step 5.45093 days/ns 3223.75 MB memory
TIMING: 200 CPU: 95.4472, 0.470696/step Wall: 95.4472, 0.470696/step, 0.0392247 hours remaining, 3223.750000 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 20743.8944 19130.0389 5729.2400 192.0764 -333501.9371 21215.8254 0.0000 0.0000 44059.6985 -222431.1636 160.2771 -266490.8621 -222093.6428 160.2771 -1046.8256 -2512.4435 921491.4634 -1046.8256 -2512.4435
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ENERGY: 208 20293.2703 20371.8903 5718.1572 182.8654 -334789.2378 21322.2410 0.0000 0.0000 44428.6268 -222472.1868 161.6191 -266900.8136 -222122.6317 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -2719.7952
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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 20194.2569 5705.3139 178.4614 -336615.7770 21385.1096 0.0000 0.0000 45251.4333 -222516.0284 164.6123 -267767.4617 -222108.2018 164.6123 -6091.3664 -2896.2627 921491.4634 -6091.3664 -2896.2627
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ENERGY: 212 23739.2709 19730.8223 5710.0295 176.0352 -336013.6227 21412.5983 0.0000 0.0000 42995.1637 -222249.7028 156.4046 -265244.8665 -222104.2320 156.4046 -4424.1001 -2820.3210 921491.4634 -4424.1001 -2820.3210
ENERGY: 213 20150.2159 19524.5249 5720.1722 175.9508 -334874.6443 21380.5552 0.0000 0.0000 45418.7805 -222504.4448 165.2210 -267923.2253 -222097.3836 165.2210 -2174.3116 -2725.0841 921491.4634 -2174.3116 -2725.0841
ENERGY: 214 17315.5528 19421.7449 5733.3059 176.6827 -333645.3936 21358.4486 0.0000 0.0000 46958.4702 -222681.1886 170.8220 -269639.6588 -222093.7409 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5054 19441.9744 5746.5772 178.1492 -332787.3322 21379.5596 0.0000 0.0000 45302.6745 -222527.8918 164.7987 -267830.5663 -222091.0448 164.7987 784.0016 -2554.0368 921491.4634 784.0016 -2554.0368
ENERGY: 216 20973.4716 19522.5062 5756.9571 180.1770 -332560.1062 21436.4836 0.0000 0.0000 42442.1787 -222248.3320 154.3930 -264690.5107 -222073.6158 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3867 19581.4820 5762.2416 182.5517 -333010.6759 21497.2706 0.0000 0.0000 41983.6750 -222225.0684 152.7251 -264208.7434 -222064.4466 152.7251 -882.1700 -2598.7244 921491.4634 -882.1700 -2598.7244
ENERGY: 218 20165.9158 19540.0890 5761.2415 184.9927 -333856.1149 21546.6561 0.0000 0.0000 44178.6836 -222478.5362 160.7099 -266657.2198 -222068.8156 160.7099 -2628.0654 -2703.9747 921491.4634 -2628.0654 -2703.9747
ENERGY: 219 19429.8641 19413.3930 5754.3577 187.2447 -334778.0710 21596.8809 0.0000 0.0000 45751.9297 -222644.4009 166.4329 -268396.3306 -222073.1721 166.4329 -4457.7334 -2810.5237 921491.4634 -4457.7334 -2810.5237
TIMING: 220 CPU: 104.872, 0.471246/step Wall: 104.872, 0.471246/step, 0.0366525 hours remaining, 3223.750000 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: 114.29, 0.470887/step Wall: 114.29, 0.470887/step, 0.0340085 hours remaining, 3223.750000 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 246 20878.5481 19853.7025 5716.8932 174.1558 -334213.1207 21705.0851 0.0000 0.0000 43600.4181 -222284.3180 158.6063 -265884.7361 -222067.4298 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5287 19979.6440 5712.7400 177.5412 -334802.1844 21719.8455 0.0000 0.0000 44912.1911 -222431.6939 163.3782 -267343.8849 -222068.1396 163.3782 -983.0001 -2552.5931 921491.4634 -983.0001 -2552.5931
ENERGY: 248 19035.4926 20164.4297 5713.8450 181.3144 -335623.1354 21746.4311 0.0000 0.0000 46185.9361 -222595.6866 168.0117 -268781.6227 -222090.3128 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -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 20899.4409 18950.9577 5693.4518 195.6570 -332975.5970 21757.6848 0.0000 0.0000 43181.1610 -222297.2438 157.0812 -265478.4048 -222071.2740 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
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TIMING: 260 CPU: 123.698, 0.470399/step Wall: 123.698, 0.470399/step, 0.0313599 hours remaining, 3224.054688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 264 19385.2259 20436.4306 5710.6950 187.5052 -334855.9514 21907.7773 0.0000 0.0000 44751.4783 -222476.8392 162.7936 -267228.3175 -222069.1986 162.7936 -2191.1925 -2723.5293 921491.4634 -2191.1925 -2723.5293
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ENERGY: 266 20048.7899 20788.8701 5712.1327 187.6137 -334399.4581 21914.4806 0.0000 0.0000 43399.3796 -222348.1915 157.8750 -265747.5711 -222054.3638 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0906 20691.2679 5707.0583 187.8501 -334831.4860 21930.8375 0.0000 0.0000 44220.2168 -222446.1649 160.8610 -266666.3817 -222055.6588 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9161 20375.7516 5700.1930 187.9286 -335513.7454 21959.1258 0.0000 0.0000 44823.5377 -222504.2926 163.0557 -267327.8303 -222075.9877 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
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ENERGY: 272 21021.5584 18896.0661 5692.8269 184.9335 -335921.4613 22015.0581 0.0000 0.0000 45607.7075 -222503.3109 165.9083 -268111.0184 -222081.1571 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2135 18932.9080 5697.5118 183.8526 -334925.7010 21985.5297 0.0000 0.0000 45502.7160 -222499.9694 165.5264 -268002.6854 -222069.0458 165.5264 -1837.1973 -2434.6759 921491.4634 -1837.1973 -2434.6759
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ENERGY: 276 19401.8502 19594.7507 5701.2547 182.4904 -333292.1281 21971.0411 0.0000 0.0000 44028.5270 -222412.2142 160.1637 -266440.7412 -222072.9397 160.1637 -1580.1299 -2417.6040 921491.4634 -1580.1299 -2417.6040
ENERGY: 277 19149.2972 19724.7158 5695.5210 182.9396 -333864.3454 21997.2388 0.0000 0.0000 44632.8110 -222481.8219 162.3619 -267114.6329 -222061.0990 162.3619 -2311.7544 -2498.0544 921491.4634 -2311.7544 -2498.0544
ENERGY: 278 20199.4577 19713.7758 5686.9122 183.6585 -334821.1004 22041.3360 0.0000 0.0000 44532.2539 -222463.7063 161.9961 -266995.9602 -222063.4133 161.9961 -3254.8157 -2593.7696 921491.4634 -3254.8157 -2593.7696
ENERGY: 279 21984.3650 19593.9430 5677.5176 184.5187 -335888.5802 22096.4200 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: 133.089, 0.469558/step Wall: 133.089, 0.469558/step, 0.0286952 hours remaining, 3224.054688 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: 283 20432.1059 19966.6615 5678.8137 187.1634 -336251.9202 22171.0649 0.0000 0.0000 45328.8518 -222487.2590 164.8939 -267816.1108 -222060.8463 164.8939 -2008.7736 -2748.2307 921491.4634 -2008.7736 -2748.2307
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ENERGY: 285 20203.3287 20789.9630 5707.3564 186.7145 -334827.1966 22167.0167 0.0000 0.0000 43418.2627 -222354.5547 157.9437 -265772.8173 -222053.5968 157.9437 -1010.8436 -2700.0819 921491.4634 -1010.8436 -2700.0819
ENERGY: 286 19396.6309 20966.5623 5721.5031 185.8229 -334658.1149 22176.6864 0.0000 0.0000 43785.6878 -222425.2214 159.2803 -266210.9092 -222054.0584 159.2803 -1306.7501 -2717.2846 921491.4634 -1306.7501 -2717.2846
ENERGY: 287 19176.1190 20856.7824 5731.9346 184.4714 -334918.1481 22200.2911 0.0000 0.0000 44282.9434 -222485.6061 161.0892 -266768.5495 -222055.7255 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2088 20475.2852 5736.9557 182.7335 -335468.3148 22237.9039 0.0000 0.0000 44116.9901 -222455.2376 160.4855 -266572.2277 -222066.9053 160.4855 -3310.5879 -2790.1553 921491.4634 -3310.5879 -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
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LDB: ============= START OF LOAD BALANCING ============== 148.605
LDB: Largest compute 200 load 0.522625 is 1.1% of average load 45.775098
LDB: Average compute 0.064128 is 0.1% of average load 45.775098
LDB: TIME 148.606 LOAD: AVG 45.7751 MAX 47.045 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.25 MB
LDB: TIME 148.607 LOAD: AVG 45.7751 MAX 47.045 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.25 MB
LDB: TIME 148.619 LOAD: AVG 45.7751 MAX 46.2978 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.25 MB
LDB: ============== END OF LOAD BALANCING =============== 148.62
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.621
Info: Initial time: 4 CPUs 0.470145 s/step 5.44149 days/ns 3224.25 MB memory
TIMING: 300 CPU: 142.478, 0.469463/step Wall: 142.478, 0.469463/step, 0.0260813 hours remaining, 3224.253906 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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TIMING: 320 CPU: 151.711, 0.461632/step Wall: 151.711, 0.461632/step, 0.0230816 hours remaining, 3224.253906 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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TIMING: 340 CPU: 160.938, 0.461359/step Wall: 160.938, 0.461359/step, 0.0205048 hours remaining, 3224.253906 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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TIMING: 360 CPU: 170.156, 0.460901/step Wall: 170.156, 0.460901/step, 0.0179239 hours remaining, 3224.253906 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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TIMING: 380 CPU: 179.366, 0.460509/step Wall: 179.366, 0.460509/step, 0.0153503 hours remaining, 3224.253906 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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ENERGY: 387 20367.2860 19202.4843 5710.9354 174.6759 -335109.8724 22905.2743 0.0000 0.0000 44377.1814 -222372.0350 161.4320 -266749.2164 -222053.0051 161.4320 -738.9584 -2019.1688 921491.4634 -738.9584 -2019.1688
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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 ============== 194.723
LDB: Largest compute 230 load 0.522591 is 1.1% of average load 45.705499
LDB: Average compute 0.064001 is 0.1% of average load 45.705499
LDB: TIME 194.724 LOAD: AVG 45.7055 MAX 46.1017 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.25 MB
LDB: TIME 194.725 LOAD: AVG 45.7055 MAX 46.1017 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.25 MB
LDB: TIME 194.725 LOAD: AVG 45.7055 MAX 46.1017 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.25 MB
LDB: ============== END OF LOAD BALANCING =============== 194.726
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.726
Info: Benchmark time: 4 CPUs 0.460949 s/step 5.33506 days/ns 3224.25 MB memory
TIMING: 400 CPU: 188.577, 0.460548/step Wall: 188.577, 0.460548/step, 0.012793 hours remaining, 3224.253906 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: 416 19942.3168 20661.9896 5710.0857 195.6954 -336157.5860 23063.1714 0.0000 0.0000 44200.2847 -222384.0424 160.7885 -266584.3272 -222052.9647 160.7885 -282.7612 -2224.6897 921491.4634 -282.7612 -2224.6897
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ENERGY: 418 20154.6649 20457.0909 5705.5848 188.6536 -336970.7868 23098.6726 0.0000 0.0000 44915.1418 -222450.9782 163.3889 -267366.1200 -222046.7096 163.3889 -671.8547 -2269.9922 921491.4634 -671.8547 -2269.9922
ENERGY: 419 20790.7632 20185.5523 5700.4811 184.6055 -337717.8758 23139.8023 0.0000 0.0000 45250.3098 -222466.3617 164.6082 -267716.6715 -222049.5953 164.6082 -1783.9424 -2336.6465 921491.4634 -1783.9424 -2336.6465
TIMING: 420 CPU: 197.765, 0.459392/step Wall: 197.765, 0.459392/step, 0.0102087 hours remaining, 3224.253906 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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ENERGY: 426 19603.3345 19432.3070 5702.4947 169.0990 -335270.6876 23080.2892 0.0000 0.0000 44862.7381 -222420.4251 163.1983 -267283.1632 -222049.1094 163.1983 -1125.8049 -2237.7214 921491.4634 -1125.8049 -2237.7214
ENERGY: 427 19598.5316 19595.2898 5707.1504 168.7509 -335498.4320 23074.5007 0.0000 0.0000 44915.2771 -222438.9315 163.3894 -267354.2085 -222048.7343 163.3894 -741.9008 -2207.6354 921491.4634 -741.9008 -2207.6354
ENERGY: 428 20140.4229 19760.4170 5710.4629 168.5259 -336199.9853 23087.7677 0.0000 0.0000 44884.2591 -222448.1299 163.2766 -267332.3890 -222058.0552 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 20024.3735 5712.1700 168.1897 -338096.9206 23149.4492 0.0000 0.0000 44626.3099 -222402.4409 162.3383 -267028.7508 -222047.3918 162.3383 -2472.2459 -2268.0466 921491.4634 -2472.2459 -2268.0466
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ENERGY: 432 21768.3706 20188.6722 5710.3547 168.1086 -338651.2100 23176.0844 0.0000 0.0000 45177.9908 -222461.6287 164.3451 -267639.6196 -222065.9060 164.3451 -3350.2742 -2296.1497 921491.4634 -3350.2742 -2296.1497
ENERGY: 433 21200.9073 20275.9662 5710.3763 168.4633 -338164.0636 23162.2909 0.0000 0.0000 45192.9282 -222453.1313 164.3995 -267646.0596 -222052.5984 164.3995 -3187.3733 -2272.1276 921491.4634 -3187.3733 -2272.1276
ENERGY: 434 20730.3411 20338.1498 5711.6061 169.3247 -337394.2702 23140.7733 0.0000 0.0000 44883.0997 -222420.9754 163.2724 -267304.0751 -222051.1465 163.2724 -2694.3107 -2227.7885 921491.4634 -2694.3107 -2227.7885
ENERGY: 435 20235.2199 20362.4015 5714.0003 170.8455 -336680.6553 23123.4095 0.0000 0.0000 44675.9839 -222398.7947 162.5190 -267074.7786 -222049.5891 162.5190 -2061.3581 -2179.8951 921491.4634 -2061.3581 -2179.8951
ENERGY: 436 19670.9241 20349.9982 5717.2346 173.0864 -336303.8811 23119.9076 0.0000 0.0000 44847.0982 -222425.6320 163.1414 -267272.7302 -222059.6962 163.1414 -1520.6598 -2145.1617 921491.4634 -1520.6598 -2145.1617
ENERGY: 437 19434.5517 20329.5093 5720.9894 175.9827 -336411.9785 23136.3866 0.0000 0.0000 45159.2686 -222455.2904 164.2770 -267614.5590 -222050.7506 164.2770 -1319.1169 -2134.4849 921491.4634 -1319.1169 -2134.4849
ENERGY: 438 19935.1533 20278.6096 5724.6884 179.3849 -336899.4578 23173.5517 0.0000 0.0000 45148.1323 -222459.9377 164.2365 -267608.0700 -222051.5671 164.2365 -1493.0942 -2145.0882 921491.4634 -1493.0942 -2145.0882
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TIMING: 440 CPU: 206.947, 0.459114/step Wall: 206.947, 0.459114/step, 0.00765191 hours remaining, 3224.253906 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
ENERGY: 440 22071.5684 20036.2371 5729.7527 186.7202 -338123.1810 23276.2484 0.0000 0.0000 44417.5461 -222405.1081 161.5788 -266822.6542 -222059.4775 161.5788 -2408.4614 -2197.9672 921491.4634 -2408.4614 -2197.9672
ENERGY: 441 22355.5487 19860.0409 5730.3488 190.1146 -338361.1718 23313.2044 0.0000 0.0000 44502.6965 -222409.2180 161.8886 -266911.9145 -222050.0861 161.8886 -2716.1030 -2221.5315 921491.4634 -2716.1030 -2221.5315
ENERGY: 442 21853.6120 19664.5349 5729.4854 192.9412 -338090.1535 23327.1567 0.0000 0.0000 44880.6319 -222441.7915 163.2634 -267322.4233 -222049.7757 163.2634 -2710.5578 -2229.0697 921491.4634 -2710.5578 -2229.0697
ENERGY: 443 21064.3317 19487.0723 5727.6165 194.9329 -337369.3151 23320.0157 0.0000 0.0000 45118.1105 -222457.2355 164.1273 -267575.3460 -222048.5997 164.1273 -2448.1650 -2220.3532 921491.4634 -2448.1650 -2220.3532
ENERGY: 444 20449.3362 19357.2690 5725.4095 195.8735 -336464.1925 23301.5275 0.0000 0.0000 44987.7174 -222447.0592 163.6530 -267434.7767 -222057.9802 163.6530 -2090.2100 -2206.4400 921491.4634 -2090.2100 -2206.4400
ENERGY: 445 20125.5606 19307.2517 5723.6513 195.6942 -335759.3915 23283.8138 0.0000 0.0000 44708.7151 -222414.7046 162.6380 -267123.4198 -222046.5433 162.6380 -1846.9626 -2201.6926 921491.4634 -1846.9626 -2201.6926
ENERGY: 446 19947.6804 19324.9004 5722.5430 194.3235 -335494.5708 23276.0450 0.0000 0.0000 44620.2941 -222408.7844 162.3164 -267029.0784 -222046.1625 162.3164 -1800.7518 -2216.7294 921491.4634 -1800.7518 -2216.7294
ENERGY: 447 19914.2848 19416.0208 5722.2107 191.8642 -335769.4399 23282.7457 0.0000 0.0000 44816.5082 -222425.8055 163.0301 -267242.3137 -222046.8348 163.0301 -1993.3112 -2253.0604 921491.4634 -1993.3112 -2253.0604
ENERGY: 448 20187.5922 19583.6797 5722.5765 188.5554 -336503.1796 23303.8903 0.0000 0.0000 45065.6669 -222451.2188 163.9365 -267516.8856 -222059.3483 163.9365 -2372.1878 -2303.7899 921491.4634 -2372.1878 -2303.7899
ENERGY: 449 20877.4060 19832.6982 5723.5713 184.8596 -337500.9067 23334.5922 0.0000 0.0000 45101.1672 -222446.6122 164.0657 -267547.7794 -222047.7102 164.0657 -2827.1081 -2356.1408 921491.4634 -2827.1081 -2356.1408
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4854 20108.1296 5724.4776 181.0898 -338419.3245 23364.6242 0.0000 0.0000 44854.3090 -222432.2089 163.1676 -267286.5178 -222048.7863 163.1676 -3116.6757 -2394.3896 921491.4634 -3116.6757 -2394.3896
ENERGY: 451 22355.5903 20357.7252 5724.7144 177.6517 -338952.0903 23381.8007 0.0000 0.0000 44542.6978 -222411.9103 162.0341 -266954.6081 -222048.8248 162.0341 -3074.2535 -2405.7798 921491.4634 -3074.2535 -2405.7798
ENERGY: 452 22246.2016 20536.0132 5723.8953 174.8859 -338927.1534 23378.0943 0.0000 0.0000 44452.9186 -222415.1444 161.7075 -266868.0630 -222059.6375 161.7075 -2659.9607 -2384.7568 921491.4634 -2659.9607 -2384.7568
ENERGY: 453 21399.8726 20641.1310 5722.2878 173.1350 -338392.7930 23354.5907 0.0000 0.0000 44683.7023 -222418.0735 162.5470 -267101.7758 -222043.5376 162.5470 -2048.3340 -2342.4668 921491.4634 -2048.3340 -2342.4668
ENERGY: 454 20248.3380 20654.1374 5720.2217 172.3637 -337567.1410 23320.6901 0.0000 0.0000 45008.1455 -222443.2446 163.7273 -267451.3902 -222041.8396 163.7273 -1453.4579 -2293.1450 921491.4634 -1453.4579 -2293.1450
ENERGY: 455 19486.7904 20584.7120 5718.4844 172.5169 -336790.6448 23290.4023 0.0000 0.0000 45086.5779 -222451.1608 164.0126 -267537.7387 -222040.8575 164.0126 -1151.8824 -2255.8572 921491.4634 -1151.8824 -2255.8572
ENERGY: 456 19493.3719 20440.6800 5717.7556 173.4248 -336350.1068 23274.9631 0.0000 0.0000 44811.4716 -222438.4397 163.0118 -267249.9114 -222055.3488 163.0118 -1305.5002 -2245.5822 921491.4634 -1305.5002 -2245.5822
ENERGY: 457 20047.4927 20251.9434 5718.5580 174.9241 -336395.8159 23277.8274 0.0000 0.0000 44521.8698 -222403.2005 161.9583 -266925.0702 -222049.4135 161.9583 -1906.4163 -2263.5012 921491.4634 -1906.4163 -2263.5012
ENERGY: 458 20585.8433 20019.2722 5720.7061 176.6081 -336835.0955 23294.7172 0.0000 0.0000 44632.7884 -222405.1601 162.3618 -267037.9485 -222051.2824 162.3618 -2684.6986 -2301.0427 921491.4634 -2684.6986 -2301.0427
ENERGY: 459 20903.4945 19784.9689 5724.0021 178.1985 -337468.1641 23318.6982 0.0000 0.0000 45113.9365 -222444.8655 164.1121 -267558.8019 -222053.1413 164.1121 -3350.5832 -2341.5796 921491.4634 -3350.5832 -2341.5796
TIMING: 460 CPU: 216.116, 0.458443/step Wall: 216.116, 0.458443/step, 0.00509381 hours remaining, 3224.253906 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
ENERGY: 460 21262.6139 19597.9064 5728.0971 179.4910 -338014.3768 23341.8000 0.0000 0.0000 45423.8564 -222480.6120 165.2395 -267904.4684 -222064.6839 165.2395 -3669.8203 -2365.2413 921491.4634 -3669.8203 -2365.2413
ENERGY: 461 21862.8764 19507.1077 5732.5753 180.4333 -338251.6218 23355.3933 0.0000 0.0000 45154.6137 -222458.6222 164.2601 -267613.2359 -222058.0510 164.2601 -3556.1668 -2361.1800 921491.4634 -3556.1668 -2361.1800
ENERGY: 462 22264.2257 19487.8111 5736.4822 180.9531 -337988.7173 23351.1083 0.0000 0.0000 44559.9290 -222408.2077 162.0968 -266968.1367 -222056.7217 162.0968 -2954.8202 -2323.4251 921491.4634 -2954.8202 -2323.4251
ENERGY: 463 21821.1791 19513.9018 5738.9361 181.1160 -337284.1031 23326.9474 0.0000 0.0000 44313.4571 -222388.5655 161.2002 -266702.0226 -222054.6245 161.2002 -2012.4425 -2264.0779 921491.4634 -2012.4425 -2264.0779
ENERGY: 464 20535.2459 19559.9275 5739.2518 181.0096 -336389.3842 23291.1938 0.0000 0.0000 44654.0268 -222428.7288 162.4391 -267082.7556 -222058.5733 162.4391 -1050.9227 -2205.5269 921491.4634 -1050.9227 -2205.5269
ENERGY: 465 19322.7826 19631.8856 5737.2899 180.7155 -335701.1535 23259.7387 0.0000 0.0000 45094.5689 -222474.1724 164.0416 -267568.7413 -222052.9392 164.0416 -512.3346 -2174.4009 921491.4634 -512.3346 -2174.4009
ENERGY: 466 19088.4509 19708.3581 5733.2107 180.2808 -335443.7726 23245.0599 0.0000 0.0000 45020.7911 -222467.6210 163.7733 -267488.4121 -222052.9789 163.7733 -630.3313 -2182.6711 921491.4634 -630.3313 -2182.6711
ENERGY: 467 19841.8069 19783.1740 5727.6704 179.7757 -335721.0951 23249.4525 0.0000 0.0000 44523.6670 -222415.5487 161.9649 -266939.2157 -222054.3499 161.9649 -1393.6029 -2232.5924 921491.4634 -1393.6029 -2232.5924
ENERGY: 468 20761.8481 19845.4938 5721.5089 179.2779 -336451.5665 23265.8120 0.0000 0.0000 44291.6591 -222385.9666 161.1209 -266677.6257 -222056.3593 161.1209 -2508.6714 -2314.1341 921491.4634 -2508.6714 -2314.1341
ENERGY: 469 21236.3016 19910.2017 5715.6824 178.8504 -337458.3201 23284.3956 0.0000 0.0000 44720.3209 -222412.5675 162.6802 -267132.8884 -222046.0753 162.6802 -3596.7407 -2405.7973 921491.4634 -3596.7407 -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 21411.1733 19972.8930 5710.9491 178.5947 -338383.2507 23297.0667 0.0000 0.0000 45346.4579 -222466.1159 164.9580 -267812.5738 -222047.6091 164.9580 -4259.6999 -2477.6832 921491.4634 -4259.6999 -2477.6832
ENERGY: 471 21732.8681 20054.6831 5707.9626 178.5890 -338913.2450 23297.5079 0.0000 0.0000 45471.3369 -222470.2973 165.4122 -267941.6342 -222047.5362 165.4122 -4290.5688 -2504.3176 921491.4634 -4290.5688 -2504.3176
ENERGY: 472 22081.2363 20161.5549 5707.0091 178.9047 -338870.6764 23279.4486 0.0000 0.0000 45028.5297 -222433.9932 163.8014 -267462.5229 -222059.5061 163.8014 -3659.7364 -2479.9185 921491.4634 -3659.7364 -2479.9185
ENERGY: 473 21866.1363 20289.3424 5707.9843 179.6165 -338307.7186 23240.7358 0.0000 0.0000 44634.5173 -222389.3862 162.3681 -267023.9035 -222043.8542 162.3681 -2556.3618 -2408.1658 921491.4634 -2556.3618 -2408.1658
ENERGY: 474 20842.9702 20372.0983 5710.2161 180.7466 -337438.4546 23189.2343 0.0000 0.0000 44733.2306 -222409.9584 162.7272 -267143.1890 -222041.2622 162.7272 -1295.5525 -2316.2729 921491.4634 -1295.5525 -2316.2729
ENERGY: 475 19674.2077 20371.7671 5712.9876 182.2512 -336604.2305 23142.3813 0.0000 0.0000 45070.2138 -222450.4219 163.9531 -267520.6357 -222039.4533 163.9531 -344.6447 -2232.2126 921491.4634 -344.6447 -2232.2126
ENERGY: 476 19235.7859 20282.0271 5715.7683 184.0125 -336100.0895 23115.8462 0.0000 0.0000 45106.0632 -222460.5863 164.0835 -267566.6496 -222053.6140 164.0835 -92.4047 -2183.0653 921491.4634 -92.4047 -2183.0653
ENERGY: 477 19704.7248 20145.9810 5718.4976 185.9230 -336101.8783 23114.2935 0.0000 0.0000 44812.3207 -222420.1377 163.0149 -267232.4584 -222044.8413 163.0149 -667.4944 -2171.8229 921491.4634 -667.4944 -2171.8229
ENERGY: 478 20493.4776 19974.7635 5721.0254 187.7262 -336537.4032 23131.2456 0.0000 0.0000 44627.0331 -222402.1317 162.3409 -267029.1648 -222047.4109 162.3409 -1807.1604 -2198.7957 921491.4634 -1807.1604 -2198.7957
ENERGY: 479 21125.3060 19793.3954 5723.3295 189.2099 -337215.5836 23156.6768 0.0000 0.0000 44802.1576 -222425.5085 162.9779 -267227.6661 -222050.5462 162.9779 -3089.8518 -2246.7919 921491.4634 -3089.8518 -2246.7919
TIMING: 480 CPU: 225.279, 0.458162/step Wall: 225.279, 0.458162/step, 0.00254534 hours remaining, 3224.253906 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
ENERGY: 480 21624.0330 19623.1964 5725.3111 190.1901 -337854.6785 23181.5115 0.0000 0.0000 45051.6812 -222458.7553 163.8856 -267510.4365 -222064.6213 163.8856 -4077.7330 -2291.4894 921491.4634 -4077.7330 -2291.4894
ENERGY: 481 22092.4857 19510.0434 5727.0953 190.6351 -338199.2482 23196.7956 0.0000 0.0000 45041.3365 -222440.8566 163.8480 -267482.1931 -222052.5269 163.8480 -4466.2399 -2305.6735 921491.4634 -4466.2399 -2305.6735
ENERGY: 482 22186.3469 19466.6795 5728.4964 190.3598 -338044.5419 23192.7472 0.0000 0.0000 44865.8518 -222414.0603 163.2096 -267279.9121 -222051.4116 163.2096 -4059.3102 -2278.0617 921491.4634 -4059.3102 -2278.0617
ENERGY: 483 21553.1414 19511.5746 5729.5660 189.3227 -337426.2185 23165.8738 0.0000 0.0000 44861.8968 -222414.8433 163.1953 -267276.7401 -222048.7675 163.1953 -2964.1725 -2216.4118 921491.4634 -2964.1725 -2216.4118
ENERGY: 484 20460.8925 19631.1939 5730.2465 187.5455 -336590.8881 23126.1349 0.0000 0.0000 45003.6031 -222451.2718 163.7107 -267454.8749 -222059.8743 163.7107 -1565.2425 -2143.1851 921491.4634 -1565.2425 -2143.1851
ENERGY: 485 19688.7719 19800.2989 5730.5256 185.2458 -335902.5862 23092.8468 0.0000 0.0000 44955.5726 -222449.3246 163.5360 -267404.8972 -222045.9606 163.5360 -422.1568 -2086.8736 921491.4634 -422.1568 -2086.8736
ENERGY: 486 19602.5424 19954.8173 5729.7198 182.4662 -335612.3563 23080.3805 0.0000 0.0000 44645.9119 -222416.5182 162.4096 -267062.4301 -222044.6761 162.4096 87.3183 -2070.0983 921491.4634 87.3183 -2070.0983
ENERGY: 487 19881.0924 20072.0208 5727.4348 179.4360 -335846.4478 23091.0542 0.0000 0.0000 44503.3497 -222392.0600 161.8910 -266895.4097 -222045.2407 161.8910 -192.2345 -2106.8841 921491.4634 -192.2345 -2106.8841
ENERGY: 488 20125.2099 20156.1357 5723.5441 176.4338 -336552.5454 23118.8615 0.0000 0.0000 44827.0560 -222425.3044 163.0685 -267252.3605 -222057.1942 163.0685 -1145.7534 -2194.6681 921491.4634 -1145.7534 -2194.6681
ENERGY: 489 20526.8874 20236.4605 5718.5749 173.8639 -337540.4659 23156.7309 0.0000 0.0000 45266.1007 -222461.8476 164.6656 -267727.9483 -222045.6089 164.6656 -2511.2407 -2316.7068 921491.4634 -2511.2407 -2316.7068
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7494 20292.9019 5712.8912 171.8438 -338458.1366 23196.4877 0.0000 0.0000 45213.5630 -222459.6996 164.4745 -267673.2627 -222048.2211 164.4745 -3823.4042 -2437.4156 921491.4634 -3823.4042 -2437.4156
ENERGY: 491 22430.4644 20312.1358 5707.3795 170.5404 -338984.5799 23226.0936 0.0000 0.0000 44733.0090 -222404.9571 162.7264 -267137.9661 -222049.4641 162.7264 -4629.6939 -2524.6216 921491.4634 -4629.6939 -2524.6216
ENERGY: 492 22612.9549 20289.6809 5702.9944 170.0208 -338937.5819 23232.7205 0.0000 0.0000 44542.1951 -222387.0153 162.0323 -266929.2104 -222060.3862 162.0323 -4606.8527 -2557.4730 921491.4634 -4606.8527 -2557.4730
ENERGY: 493 21558.2188 20260.7374 5700.7779 170.3201 -338358.0634 23214.0536 0.0000 0.0000 45033.8229 -222420.1328 163.8207 -267453.9557 -222046.5903 163.8207 -3796.3820 -2540.0996 921491.4634 -3796.3820 -2540.0996
ENERGY: 494 20068.3365 20225.0261 5700.9805 171.2193 -337454.3833 23183.0794 0.0000 0.0000 45622.2474 -222483.4941 165.9612 -268105.7415 -222044.0870 165.9612 -2500.8992 -2482.1068 921491.4634 -2500.8992 -2482.1068
ENERGY: 495 19383.2460 20186.8301 5703.5926 172.5416 -336566.9882 23159.4624 0.0000 0.0000 45484.1228 -222477.1927 165.4587 -267961.3155 -222041.5565 165.4587 -1249.6835 -2407.3055 921491.4634 -1249.6835 -2407.3055
ENERGY: 496 19722.4830 20130.6473 5708.0350 174.0933 -335998.7153 23154.2634 0.0000 0.0000 44699.5268 -222409.6664 162.6046 -267109.1932 -222049.0674 162.6046 -478.8995 -2343.4752 921491.4634 -478.8995 -2343.4752
ENERGY: 497 20212.6664 20059.9177 5713.4613 175.7242 -335952.5040 23166.3544 0.0000 0.0000 44261.0286 -222363.3515 161.0095 -266624.3800 -222042.7504 161.0095 -421.0230 -2316.7929 921491.4634 -421.0230 -2316.7929
ENERGY: 498 20182.0163 19957.1217 5718.5596 177.2604 -336366.4932 23189.3583 0.0000 0.0000 44728.2531 -222413.9237 162.7091 -267142.1768 -222044.5224 162.7091 -993.4679 -2331.6473 921491.4634 -993.4679 -2331.6473
ENERGY: 499 20158.0679 19847.7311 5722.4089 178.6361 -337058.4824 23219.2402 0.0000 0.0000 45439.2639 -222493.1343 165.2956 -267932.3982 -222047.2066 165.2956 -2020.8689 -2376.3391 921491.4634 -2020.8689 -2376.3391
Info: Benchmark time: 4 CPUs 0.45791 s/step 5.29988 days/ns 3224.25 MB memory
TIMING: 500 CPU: 234.368, 0.454445/step Wall: 234.368, 0.454445/step, 0 hours remaining, 3224.253906 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
ENERGY: 500 20974.8940 19756.6586 5724.4523 179.8271 -337741.4191 23251.1007 0.0000 0.0000 45359.0771 -222495.4093 165.0039 -267854.4864 -222061.0911 165.0039 -3197.5170 -2425.4141 921491.4634 -3197.5170 -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, 3230.059 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3230.059 MB of memory in use
====================================================
WallClock: 241.402802 CPUTime: 241.402802 Memory: 3230.058594 MB
[Partition 0][Node 0] End of program
Application 1111140 resources: utime ~949s, stime ~18s, Rss ~127704, inblocks ~66552, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.402802
CPU=241.402802
MEM=3230.058594
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 18 06:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 18 06:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 18 06:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 18 06:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189507 Dec 18 06:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 18 06:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 18 06:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 18 06:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 18 06:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 18 06:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 18 06:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 18 06:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 18 06:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 18 06:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 18 06:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 18 06:21 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/jenkins16181612770597978348.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}
