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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 ============== 54.48
LDB: Largest compute 200 load 0.430573 is 1.2% of average load 36.825549
LDB: Average compute 0.051586 is 0.1% of average load 36.825549
LDB: Partitioning computes with target load 3.682555
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055915
LDB: ============== END OF LOAD BALANCING =============== 54.4822
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.4831
Info: Initial time: 4 CPUs 0.473884 s/step 5.48477 days/ns 3221.45 MB memory
TIMING: 100 CPU: 48.36, 0.472887/step Wall: 48.36, 0.472887/step, 0.052543 hours remaining, 3221.453125 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 ============== 63.9213
LDB: ============== END OF LOAD BALANCING =============== 63.9213
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9218
TIMING: 120 CPU: 57.7983, 0.471911/step Wall: 57.7983, 0.471911/step, 0.0498128 hours remaining, 3221.714844 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 -265125.8378 -222213.1816 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.2296, 0.471567/step Wall: 67.2296, 0.471567/step, 0.0471567 hours remaining, 3221.890625 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: 76.6531, 0.471175/step Wall: 76.6531, 0.471175/step, 0.0444999 hours remaining, 3222.179688 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 21917.7898 18733.9559 5737.6245 154.5770 -332975.2976 21015.2133 0.0000 0.0000 43101.1545 -222314.9826 156.7902 -265416.1371 -222126.1323 156.7902 -2936.2255 -2665.7683 921491.4634 -2936.2255 -2665.7683
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TIMING: 180 CPU: 86.0661, 0.470648/step Wall: 86.0661, 0.470648/step, 0.0418354 hours remaining, 3222.179688 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 19234.9570 5686.4352 181.9571 -332240.0939 21043.7459 0.0000 0.0000 44391.5886 -222435.3695 161.4844 -266826.9581 -222129.2891 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 -222222.0805 154.4178 -264671.0860 -222130.9083 154.4178 -3641.8536 -2802.0866 921491.4634 -3641.8536 -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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LDB: ============= START OF LOAD BALANCING ============== 101.602
LDB: Largest compute 200 load 0.425210 is 1.2% of average load 36.645539
LDB: Average compute 0.051330 is 0.1% of average load 36.645539
LDB: TIME 101.604 LOAD: AVG 36.6455 MAX 37.6796 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.56 MB
LDB: TIME 101.606 LOAD: AVG 36.6455 MAX 37.5354 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.56 MB
LDB: ============== END OF LOAD BALANCING =============== 101.608
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.611
Info: Initial time: 4 CPUs 0.471146 s/step 5.45308 days/ns 3223.29 MB memory
TIMING: 200 CPU: 95.4846, 0.470929/step Wall: 95.4846, 0.470929/step, 0.0392441 hours remaining, 3223.289062 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 19130.0389 5729.2400 192.0764 -333501.9373 21215.8253 0.0000 0.0000 44059.6986 -222431.1635 160.2771 -266490.8621 -222093.6428 160.2771 -1046.8259 -2512.4435 921491.4634 -1046.8259 -2512.4435
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ENERGY: 208 20293.2702 20371.8903 5718.1572 182.8654 -334789.2377 21322.2410 0.0000 0.0000 44428.6270 -222472.1867 161.6191 -266900.8136 -222122.6316 161.6191 -3669.0641 -2719.7952 921491.4634 -3669.0641 -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 21385.1734 20194.2569 5705.3139 178.4614 -336615.7769 21385.1096 0.0000 0.0000 45251.4334 -222516.0283 164.6123 -267767.4617 -222108.2017 164.6123 -6091.3661 -2896.2627 921491.4634 -6091.3661 -2896.2627
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ENERGY: 212 23739.2710 19730.8223 5710.0295 176.0352 -336013.6227 21412.5983 0.0000 0.0000 42995.1638 -222249.7026 156.4046 -265244.8663 -222104.2318 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2161 19524.5249 5720.1722 175.9508 -334874.6444 21380.5552 0.0000 0.0000 45418.7805 -222504.4446 165.2210 -267923.2252 -222097.3834 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
ENERGY: 214 17315.5530 19421.7449 5733.3059 176.6827 -333645.3937 21358.4485 0.0000 0.0000 46958.4702 -222681.1884 170.8220 -269639.6587 -222093.7407 170.8220 -143.6686 -2626.0578 921491.4634 -143.6686 -2626.0578
ENERGY: 215 18210.5056 19441.9744 5746.5772 178.1492 -332787.3322 21379.5596 0.0000 0.0000 45302.6746 -222527.8916 164.7987 -267830.5662 -222091.0446 164.7987 784.0014 -2554.0368 921491.4634 784.0014 -2554.0368
ENERGY: 216 20973.4717 19522.5062 5756.9571 180.1770 -332560.1063 21436.4836 0.0000 0.0000 42442.1788 -222248.3319 154.3930 -264690.5107 -222073.6157 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3867 19581.4820 5762.2416 182.5517 -333010.6758 21497.2706 0.0000 0.0000 41983.6750 -222225.0684 152.7251 -264208.7434 -222064.4466 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9156 19540.0890 5761.2415 184.9927 -333856.1147 21546.6561 0.0000 0.0000 44178.6836 -222478.5362 160.7099 -266657.2197 -222068.8156 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
ENERGY: 219 19429.8640 19413.3931 5754.3577 187.2447 -334778.0708 21596.8808 0.0000 0.0000 45751.9297 -222644.4008 166.4329 -268396.3305 -222073.1721 166.4329 -4457.7331 -2810.5237 921491.4634 -4457.7331 -2810.5237
TIMING: 220 CPU: 104.909, 0.471196/step Wall: 104.909, 0.471196/step, 0.0366486 hours remaining, 3223.289062 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: 114.328, 0.470948/step Wall: 114.328, 0.470948/step, 0.0340129 hours remaining, 3223.289062 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: 247 19868.5286 19979.6440 5712.7400 177.5412 -334802.1842 21719.8455 0.0000 0.0000 44912.1911 -222431.6937 163.3782 -267343.8848 -222068.1394 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4925 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 -1359.1246 -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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TIMING: 260 CPU: 123.732, 0.470218/step Wall: 123.732, 0.470218/step, 0.0313479 hours remaining, 3223.593750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 264 19385.2261 20436.4305 5710.6950 187.5052 -334855.9512 21907.7773 0.0000 0.0000 44751.4782 -222476.8389 162.7936 -267228.3171 -222069.1983 162.7936 -2191.1927 -2723.5293 921491.4634 -2191.1927 -2723.5293
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ENERGY: 266 20048.7898 20788.8701 5712.1327 187.6137 -334399.4578 21914.4805 0.0000 0.0000 43399.3796 -222348.1912 157.8750 -265747.5709 -222054.3635 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0905 20691.2679 5707.0583 187.8501 -334831.4856 21930.8374 0.0000 0.0000 44220.2168 -222446.1646 160.8610 -266666.3813 -222055.6585 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9161 20375.7517 5700.1930 187.9286 -335513.7452 21959.1257 0.0000 0.0000 44823.5376 -222504.2926 163.0557 -267327.8301 -222075.9876 163.0557 -2903.2124 -2658.6181 921491.4634 -2903.2124 -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 21021.5585 18896.0662 5692.8269 184.9335 -335921.4615 22015.0580 0.0000 0.0000 45607.7075 -222503.3110 165.9083 -268111.0185 -222081.1572 165.9083 -2551.9684 -2501.8805 921491.4634 -2551.9684 -2501.8805
ENERGY: 273 20123.2137 18932.9080 5697.5118 183.8526 -334925.7012 21985.5296 0.0000 0.0000 45502.7160 -222499.9695 165.5264 -268002.6855 -222069.0459 165.5264 -1837.1976 -2434.6760 921491.4634 -1837.1976 -2434.6760
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ENERGY: 276 19401.8501 19594.7506 5701.2547 182.4904 -333292.1282 21971.0409 0.0000 0.0000 44028.5271 -222412.2143 160.1637 -266440.7414 -222072.9397 160.1637 -1580.1300 -2417.6041 921491.4634 -1580.1300 -2417.6041
ENERGY: 277 19149.2972 19724.7158 5695.5210 182.9396 -333864.3454 21997.2387 0.0000 0.0000 44632.8111 -222481.8220 162.3619 -267114.6331 -222061.0991 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4577 19713.7758 5686.9122 183.6585 -334821.1003 22041.3359 0.0000 0.0000 44532.2539 -222463.7064 161.9961 -266995.9603 -222063.4134 161.9961 -3254.8156 -2593.7697 921491.4634 -3254.8156 -2593.7697
ENERGY: 279 21984.3649 19593.9429 5677.5176 184.5187 -335888.5801 22096.4199 0.0000 0.0000 43975.0879 -222376.7282 159.9693 -266351.8161 -222065.2026 159.9693 -4044.3212 -2682.8389 921491.4634 -4044.3212 -2682.8389
TIMING: 280 CPU: 133.129, 0.469865/step Wall: 133.129, 0.469865/step, 0.028714 hours remaining, 3223.593750 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 20943.7899 19615.5378 5669.9796 186.8360 -336942.5035 22176.7654 0.0000 0.0000 45823.3369 -222526.2579 166.6927 -268349.5948 -222063.3317 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
ENERGY: 283 20432.1061 19966.6614 5678.8137 187.1634 -336251.9202 22171.0648 0.0000 0.0000 45328.8519 -222487.2588 164.8939 -267816.1108 -222060.8461 164.8939 -2008.7736 -2748.2306 921491.4634 -2008.7736 -2748.2306
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ENERGY: 285 20203.3287 20789.9629 5707.3565 186.7145 -334827.1967 22167.0165 0.0000 0.0000 43418.2631 -222354.5545 157.9437 -265772.8176 -222053.5967 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6310 20966.5623 5721.5031 185.8230 -334658.1150 22176.6863 0.0000 0.0000 43785.6882 -222425.2212 159.2803 -266210.9094 -222054.0582 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1191 20856.7824 5731.9346 184.4714 -334918.1482 22200.2910 0.0000 0.0000 44282.9437 -222485.6059 161.0892 -266768.5496 -222055.7253 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
ENERGY: 288 20263.2089 20475.2852 5736.9557 182.7335 -335468.3151 22237.9037 0.0000 0.0000 44116.9903 -222455.2377 160.4855 -266572.2280 -222066.9055 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
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LDB: ============= START OF LOAD BALANCING ============== 148.672
LDB: Largest compute 230 load 0.519196 is 1.1% of average load 45.731259
LDB: Average compute 0.064056 is 0.1% of average load 45.731259
LDB: TIME 148.674 LOAD: AVG 45.7313 MAX 47.061 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.95 MB
LDB: TIME 148.674 LOAD: AVG 45.7313 MAX 47.061 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3223.95 MB
LDB: TIME 148.687 LOAD: AVG 45.7313 MAX 46.1533 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.95 MB
LDB: ============== END OF LOAD BALANCING =============== 148.688
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.689
Info: Initial time: 4 CPUs 0.470284 s/step 5.4431 days/ns 3223.95 MB memory
TIMING: 300 CPU: 142.531, 0.470079/step Wall: 142.531, 0.470079/step, 0.0261155 hours remaining, 3223.949219 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: 151.737, 0.460331/step Wall: 151.737, 0.460331/step, 0.0230166 hours remaining, 3223.949219 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: 160.939, 0.460094/step Wall: 160.939, 0.460094/step, 0.0204486 hours remaining, 3223.949219 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: 170.134, 0.459718/step Wall: 170.134, 0.459718/step, 0.0178779 hours remaining, 3223.949219 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 20646.4608 20251.1591 5706.5521 182.3249 -335763.5803 22794.3772 0.0000 0.0000 43848.2755 -222334.4306 159.5080 -266182.7061 -222041.4017 159.5080 -1819.5858 -2472.4986 921491.4634 -1819.5858 -2472.4986
ENERGY: 378 20473.8100 20495.6593 5711.4639 183.2952 -336584.2280 22821.5836 0.0000 0.0000 44474.7536 -222423.6625 161.7869 -266898.4161 -222044.3971 161.7869 -2972.9874 -2523.3499 921491.4634 -2972.9874 -2523.3499
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TIMING: 380 CPU: 179.319, 0.459289/step Wall: 179.319, 0.459289/step, 0.0153096 hours remaining, 3223.949219 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: 384 19625.4114 19596.0354 5710.5349 179.0647 -336052.0490 22884.2532 0.0000 0.0000 45539.1832 -222517.5661 165.6590 -268056.7493 -222062.0929 165.6590 -569.2380 -2166.9359 921491.4634 -569.2380 -2166.9359
ENERGY: 385 19327.8182 19356.8912 5707.7751 177.4354 -335210.6405 22871.6142 0.0000 0.0000 45299.7170 -222469.3893 164.7879 -267769.1063 -222051.0997 164.7879 215.3513 -2064.3637 921491.4634 215.3513 -2064.3637
ENERGY: 386 19981.2274 19220.9466 5707.6637 175.9384 -334865.1821 22880.7956 0.0000 0.0000 44519.8585 -222378.7519 161.9510 -266898.6104 -222051.0441 161.9510 122.6668 -2011.2429 921491.4634 122.6668 -2011.2429
ENERGY: 387 20367.2861 19202.4846 5710.9354 174.6759 -335109.8729 22905.2742 0.0000 0.0000 44377.1815 -222372.0353 161.4320 -266749.2168 -222053.0053 161.4320 -738.9587 -2019.1690 921491.4634 -738.9587 -2019.1690
ENERGY: 388 20282.3988 19280.0169 5717.2934 173.7038 -335824.1521 22938.2898 0.0000 0.0000 44972.7760 -222459.6735 163.5986 -267432.4494 -222067.4821 163.5986 -2063.8556 -2076.2822 921491.4634 -2063.8556 -2076.2822
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 398 19692.8116 20133.3594 5716.9814 176.0456 -336812.3380 23014.0583 0.0000 0.0000 45592.7319 -222486.3498 165.8538 -268079.0818 -222045.7224 165.8538 -1710.2238 -2443.6965 921491.4634 -1710.2238 -2443.6965
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LDB: ============= START OF LOAD BALANCING ============== 194.666
LDB: Largest compute 230 load 0.524646 is 1.1% of average load 45.711908
LDB: Average compute 0.064016 is 0.1% of average load 45.711908
LDB: TIME 194.668 LOAD: AVG 45.7119 MAX 45.9768 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.95 MB
LDB: TIME 194.669 LOAD: AVG 45.7119 MAX 45.9768 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.95 MB
LDB: TIME 194.669 LOAD: AVG 45.7119 MAX 45.9768 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.95 MB
LDB: ============== END OF LOAD BALANCING =============== 194.669
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.67
Info: Benchmark time: 4 CPUs 0.459715 s/step 5.32077 days/ns 3223.95 MB memory
TIMING: 400 CPU: 188.506, 0.459347/step Wall: 188.506, 0.459347/step, 0.0127596 hours remaining, 3223.949219 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 19942.3169 20661.9898 5710.0857 195.6953 -336157.5863 23063.1710 0.0000 0.0000 44200.2851 -222384.0424 160.7885 -266584.3275 -222052.9647 160.7885 -282.7615 -2224.6899 921491.4634 -282.7615 -2224.6899
ENERGY: 417 20031.3750 20631.3211 5709.0494 192.4696 -336373.1077 23072.1094 0.0000 0.0000 44338.4619 -222398.3213 161.2911 -266736.7832 -222044.6997 161.2911 -112.4555 -2227.1701 921491.4634 -112.4555 -2227.1701
ENERGY: 418 20154.6649 20457.0911 5705.5847 188.6536 -336970.7869 23098.6722 0.0000 0.0000 44915.1422 -222450.9782 163.3889 -267366.1204 -222046.7096 163.3889 -671.8548 -2269.9923 921491.4634 -671.8548 -2269.9923
ENERGY: 419 20790.7631 20185.5525 5700.4810 184.6054 -337717.8758 23139.8019 0.0000 0.0000 45250.3101 -222466.3617 164.6082 -267716.6717 -222049.5954 164.6082 -1783.9423 -2336.6466 921491.4634 -1783.9423 -2336.6466
TIMING: 420 CPU: 197.667, 0.458014/step Wall: 197.667, 0.458014/step, 0.0101781 hours remaining, 3223.949219 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 19603.3347 19432.3069 5702.4947 169.0990 -335270.6877 23080.2890 0.0000 0.0000 44862.7385 -222420.4248 163.1983 -267283.1633 -222049.1091 163.1983 -1125.8051 -2237.7214 921491.4634 -1125.8051 -2237.7214
ENERGY: 427 19598.5317 19595.2897 5707.1504 168.7509 -335498.4319 23074.5005 0.0000 0.0000 44915.2775 -222438.9312 163.3894 -267354.2086 -222048.7340 163.3894 -741.9009 -2207.6354 921491.4634 -741.9009 -2207.6354
ENERGY: 428 20140.4229 19760.4169 5710.4628 168.5259 -336199.9854 23087.7675 0.0000 0.0000 44884.2594 -222448.1300 163.2766 -267332.3893 -222058.0552 163.2766 -935.5731 -2206.9584 921491.4634 -935.5731 -2206.9584
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9871 20024.3735 5712.1700 168.1897 -338096.9204 23149.4491 0.0000 0.0000 44626.3099 -222402.4409 162.3383 -267028.7509 -222047.3918 162.3383 -2472.2455 -2268.0464 921491.4634 -2472.2455 -2268.0464
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ENERGY: 432 21768.3705 20188.6723 5710.3546 168.1086 -338651.2102 23176.0845 0.0000 0.0000 45177.9907 -222461.6290 164.3451 -267639.6197 -222065.9063 164.3451 -3350.2743 -2296.1498 921491.4634 -3350.2743 -2296.1498
ENERGY: 433 21200.9074 20275.9664 5710.3763 168.4633 -338164.0639 23162.2910 0.0000 0.0000 45192.9280 -222453.1316 164.3995 -267646.0596 -222052.5987 164.3995 -3187.3734 -2272.1277 921491.4634 -3187.3734 -2272.1277
ENERGY: 434 20730.3413 20338.1501 5711.6061 169.3247 -337394.2706 23140.7735 0.0000 0.0000 44883.0993 -222420.9756 163.2724 -267304.0750 -222051.1467 163.2724 -2694.3110 -2227.7886 921491.4634 -2694.3110 -2227.7886
ENERGY: 435 20235.2201 20362.4017 5714.0003 170.8455 -336680.6558 23123.4097 0.0000 0.0000 44675.9835 -222398.7949 162.5189 -267074.7784 -222049.5893 162.5189 -2061.3584 -2179.8952 921491.4634 -2061.3584 -2179.8952
ENERGY: 436 19670.9243 20349.9984 5717.2345 173.0864 -336303.8814 23119.9078 0.0000 0.0000 44847.0979 -222425.6321 163.1414 -267272.7301 -222059.6964 163.1414 -1520.6599 -2145.1617 921491.4634 -1520.6599 -2145.1617
ENERGY: 437 19434.5517 20329.5095 5720.9893 175.9827 -336411.9787 23136.3868 0.0000 0.0000 45159.2683 -222455.2905 164.2770 -267614.5588 -222050.7507 164.2770 -1319.1168 -2134.4848 921491.4634 -1319.1168 -2134.4848
ENERGY: 438 19935.1533 20278.6097 5724.6883 179.3848 -336899.4579 23173.5519 0.0000 0.0000 45148.1320 -222459.9378 164.2365 -267608.0698 -222051.5672 164.2365 -1493.0940 -2145.0881 921491.4634 -1493.0940 -2145.0881
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TIMING: 440 CPU: 206.821, 0.457741/step Wall: 206.821, 0.457741/step, 0.00762902 hours remaining, 3223.949219 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 22071.5682 20036.2371 5729.7527 186.7201 -338123.1806 23276.2486 0.0000 0.0000 44417.5459 -222405.1079 161.5788 -266822.6538 -222059.4773 161.5788 -2408.4610 -2197.9670 921491.4634 -2408.4610 -2197.9670
ENERGY: 441 22355.5485 19860.0409 5730.3488 190.1145 -338361.1715 23313.2045 0.0000 0.0000 44502.6964 -222409.2179 161.8886 -266911.9143 -222050.0860 161.8886 -2716.1026 -2221.5312 921491.4634 -2716.1026 -2221.5312
ENERGY: 442 21853.6119 19664.5349 5729.4854 192.9411 -338090.1533 23327.1569 0.0000 0.0000 44880.6318 -222441.7913 163.2634 -267322.4232 -222049.7755 163.2634 -2710.5576 -2229.0695 921491.4634 -2710.5576 -2229.0695
ENERGY: 443 21064.3318 19487.0722 5727.6164 194.9329 -337369.3151 23320.0159 0.0000 0.0000 45118.1105 -222457.2354 164.1273 -267575.3459 -222048.5996 164.1273 -2448.1649 -2220.3530 921491.4634 -2448.1649 -2220.3530
ENERGY: 444 20449.3365 19357.2690 5725.4095 195.8734 -336464.1930 23301.5277 0.0000 0.0000 44987.7175 -222447.0594 163.6530 -267434.7769 -222057.9803 163.6530 -2090.2102 -2206.4400 921491.4634 -2090.2102 -2206.4400
ENERGY: 445 20125.5609 19307.2517 5723.6513 195.6942 -335759.3922 23283.8140 0.0000 0.0000 44708.7154 -222414.7047 162.6380 -267123.4201 -222046.5434 162.6380 -1846.9629 -2201.6926 921491.4634 -1846.9629 -2201.6926
ENERGY: 446 19947.6806 19324.9004 5722.5430 194.3235 -335494.5717 23276.0453 0.0000 0.0000 44620.2945 -222408.7845 162.3164 -267029.0789 -222046.1626 162.3164 -1800.7520 -2216.7294 921491.4634 -1800.7520 -2216.7294
ENERGY: 447 19914.2850 19416.0208 5722.2107 191.8641 -335769.4408 23282.7460 0.0000 0.0000 44816.5087 -222425.8056 163.0301 -267242.3142 -222046.8349 163.0301 -1993.3113 -2253.0603 921491.4634 -1993.3113 -2253.0603
ENERGY: 448 20187.5922 19583.6798 5722.5764 188.5554 -336503.1806 23303.8906 0.0000 0.0000 45065.6674 -222451.2188 163.9365 -267516.8862 -222059.3484 163.9365 -2372.1877 -2303.7898 921491.4634 -2372.1877 -2303.7898
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4852 20108.1298 5724.4776 181.0898 -338419.3256 23364.6246 0.0000 0.0000 44854.3097 -222432.2089 163.1677 -267286.5186 -222048.7863 163.1677 -3116.6754 -2394.3895 921491.4634 -3116.6754 -2394.3895
ENERGY: 451 22355.5902 20357.7254 5724.7144 177.6517 -338952.0916 23381.8011 0.0000 0.0000 44542.6985 -222411.9103 162.0341 -266954.6089 -222048.8249 162.0341 -3074.2531 -2405.7797 921491.4634 -3074.2531 -2405.7797
ENERGY: 452 22246.2016 20536.0135 5723.8953 174.8859 -338927.1547 23378.0948 0.0000 0.0000 44452.9193 -222415.1443 161.7075 -266868.0636 -222059.6374 161.7075 -2659.9605 -2384.7567 921491.4634 -2659.9605 -2384.7567
ENERGY: 453 21399.8728 20641.1312 5722.2878 173.1350 -338392.7944 23354.5913 0.0000 0.0000 44683.7028 -222418.0734 162.5470 -267101.7763 -222043.5376 162.5470 -2048.3339 -2342.4667 921491.4634 -2048.3339 -2342.4667
ENERGY: 454 20248.3382 20654.1376 5720.2217 172.3637 -337567.1425 23320.6907 0.0000 0.0000 45008.1460 -222443.2446 163.7273 -267451.3906 -222041.8395 163.7273 -1453.4581 -2293.1450 921491.4634 -1453.4581 -2293.1450
ENERGY: 455 19486.7907 20584.7122 5718.4844 172.5169 -336790.6463 23290.4029 0.0000 0.0000 45086.5784 -222451.1607 164.0126 -267537.7391 -222040.8574 164.0126 -1151.8826 -2255.8571 921491.4634 -1151.8826 -2255.8571
ENERGY: 456 19493.3722 20440.6801 5717.7556 173.4248 -336350.1085 23274.9638 0.0000 0.0000 44811.4720 -222438.4399 163.0118 -267249.9119 -222055.3489 163.0118 -1305.5004 -2245.5821 921491.4634 -1305.5004 -2245.5821
ENERGY: 457 20047.4930 20251.9435 5718.5580 174.9241 -336395.8173 23277.8282 0.0000 0.0000 44521.8700 -222403.2006 161.9583 -266925.0706 -222049.4136 161.9583 -1906.4163 -2263.5011 921491.4634 -1906.4163 -2263.5011
ENERGY: 458 20585.8434 20019.2722 5720.7061 176.6081 -336835.0967 23294.7180 0.0000 0.0000 44632.7886 -222405.1603 162.3618 -267037.9488 -222051.2826 162.3618 -2684.6984 -2301.0425 921491.4634 -2684.6984 -2301.0425
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TIMING: 460 CPU: 215.966, 0.457243/step Wall: 215.966, 0.457243/step, 0.00508048 hours remaining, 3223.949219 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6138 19597.9063 5728.0971 179.4910 -338014.3773 23341.8009 0.0000 0.0000 45423.8564 -222480.6118 165.2395 -267904.4682 -222064.6837 165.2395 -3669.8198 -2365.2410 921491.4634 -3669.8198 -2365.2410
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ENERGY: 462 22264.2256 19487.8111 5736.4822 180.9531 -337988.7177 23351.1094 0.0000 0.0000 44559.9287 -222408.2075 162.0968 -266968.1363 -222056.7215 162.0968 -2954.8198 -2323.4249 921491.4634 -2954.8198 -2323.4249
ENERGY: 463 21821.1792 19513.9018 5738.9361 181.1160 -337284.1036 23326.9486 0.0000 0.0000 44313.4567 -222388.5653 161.2002 -266702.0220 -222054.6243 161.2002 -2012.4423 -2264.0776 921491.4634 -2012.4423 -2264.0776
ENERGY: 464 20535.2461 19559.9274 5739.2518 181.0096 -336389.3851 23291.1950 0.0000 0.0000 44654.0264 -222428.7287 162.4391 -267082.7552 -222058.5732 162.4391 -1050.9226 -2205.5266 921491.4634 -1050.9226 -2205.5266
ENERGY: 465 19322.7829 19631.8855 5737.2898 180.7155 -335701.1545 23259.7400 0.0000 0.0000 45094.5686 -222474.1722 164.0416 -267568.7408 -222052.9391 164.0416 -512.3346 -2174.4006 921491.4634 -512.3346 -2174.4006
ENERGY: 466 19088.4513 19708.3582 5733.2107 180.2808 -335443.7737 23245.0612 0.0000 0.0000 45020.7906 -222467.6209 163.7733 -267488.4115 -222052.9788 163.7733 -630.3313 -2182.6708 921491.4634 -630.3313 -2182.6708
ENERGY: 467 19841.8072 19783.1742 5727.6703 179.7757 -335721.0962 23249.4538 0.0000 0.0000 44523.6664 -222415.5485 161.9649 -266939.2149 -222054.3497 161.9649 -1393.6028 -2232.5922 921491.4634 -1393.6028 -2232.5922
ENERGY: 468 20761.8483 19845.4941 5721.5089 179.2779 -336451.5675 23265.8134 0.0000 0.0000 44291.6585 -222385.9664 161.1209 -266677.6249 -222056.3592 161.1209 -2508.6712 -2314.1338 921491.4634 -2508.6712 -2314.1338
ENERGY: 469 21236.3015 19910.2020 5715.6824 178.8504 -337458.3210 23284.3970 0.0000 0.0000 44720.3203 -222412.5674 162.6802 -267132.8877 -222046.0751 162.6802 -3596.7403 -2405.7970 921491.4634 -3596.7403 -2405.7970
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1730 19972.8934 5710.9491 178.5947 -338383.2516 23297.0682 0.0000 0.0000 45346.4574 -222466.1158 164.9579 -267812.5732 -222047.6090 164.9579 -4259.6992 -2477.6829 921491.4634 -4259.6992 -2477.6829
ENERGY: 471 21732.8678 20054.6835 5707.9626 178.5890 -338913.2460 23297.5094 0.0000 0.0000 45471.3365 -222470.2972 165.4122 -267941.6336 -222047.5360 165.4122 -4290.5680 -2504.3173 921491.4634 -4290.5680 -2504.3173
ENERGY: 472 22081.2362 20161.5552 5707.0091 178.9047 -338870.6778 23279.4501 0.0000 0.0000 45028.5293 -222433.9932 163.8014 -267462.5226 -222059.5061 163.8014 -3659.7358 -2479.9182 921491.4634 -3659.7358 -2479.9182
ENERGY: 473 21866.1363 20289.3426 5707.9843 179.6165 -338307.7202 23240.7373 0.0000 0.0000 44634.5170 -222389.3862 162.3681 -267023.9032 -222043.8542 162.3681 -2556.3614 -2408.1655 921491.4634 -2556.3614 -2408.1655
ENERGY: 474 20842.9704 20372.0985 5710.2160 180.7466 -337438.4563 23189.2358 0.0000 0.0000 44733.2304 -222409.9585 162.7272 -267143.1889 -222041.2623 162.7272 -1295.5523 -2316.2726 921491.4634 -1295.5523 -2316.2726
ENERGY: 475 19674.2081 20371.7672 5712.9876 182.2512 -336604.2324 23142.3828 0.0000 0.0000 45070.2137 -222450.4219 163.9531 -267520.6356 -222039.4533 163.9531 -344.6448 -2232.2123 921491.4634 -344.6448 -2232.2123
ENERGY: 476 19235.7864 20282.0272 5715.7683 184.0125 -336100.0915 23115.8476 0.0000 0.0000 45106.0631 -222460.5864 164.0835 -267566.6496 -222053.6141 164.0835 -92.4048 -2183.0650 921491.4634 -92.4048 -2183.0650
ENERGY: 477 19704.7252 20145.9810 5718.4976 185.9230 -336101.8801 23114.2949 0.0000 0.0000 44812.3206 -222420.1378 163.0149 -267232.4584 -222044.8414 163.0149 -667.4944 -2171.8226 921491.4634 -667.4944 -2171.8226
ENERGY: 478 20493.4778 19974.7635 5721.0254 187.7262 -336537.4048 23131.2470 0.0000 0.0000 44627.0331 -222402.1318 162.3409 -267029.1649 -222047.4110 162.3409 -1807.1602 -2198.7954 921491.4634 -1807.1602 -2198.7954
ENERGY: 479 21125.3058 19793.3954 5723.3295 189.2099 -337215.5850 23156.6781 0.0000 0.0000 44802.1577 -222425.5086 162.9779 -267227.6663 -222050.5463 162.9779 -3089.8513 -2246.7915 921491.4634 -3089.8513 -2246.7915
TIMING: 480 CPU: 225.103, 0.456827/step Wall: 225.103, 0.456827/step, 0.00253793 hours remaining, 3223.949219 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0327 19623.1963 5725.3111 190.1900 -337854.6796 23181.5127 0.0000 0.0000 45051.6813 -222458.7554 163.8856 -267510.4367 -222064.6214 163.8856 -4077.7324 -2291.4891 921491.4634 -4077.7324 -2291.4891
ENERGY: 481 22092.4855 19510.0433 5727.0952 190.6351 -338199.2492 23196.7968 0.0000 0.0000 45041.3365 -222440.8567 163.8480 -267482.1932 -222052.5269 163.8480 -4466.2392 -2305.6732 921491.4634 -4466.2392 -2305.6732
ENERGY: 482 22186.3469 19466.6795 5728.4964 190.3598 -338044.5429 23192.7483 0.0000 0.0000 44865.8517 -222414.0604 163.2096 -267279.9121 -222051.4116 163.2096 -4059.3096 -2278.0614 921491.4634 -4059.3096 -2278.0614
ENERGY: 483 21553.1415 19511.5746 5729.5660 189.3226 -337426.2197 23165.8749 0.0000 0.0000 44861.8967 -222414.8434 163.1953 -267276.7401 -222048.7676 163.1953 -2964.1721 -2216.4115 921491.4634 -2964.1721 -2216.4115
ENERGY: 484 20460.8927 19631.1939 5730.2465 187.5455 -336590.8895 23126.1360 0.0000 0.0000 45003.6031 -222451.2718 163.7107 -267454.8749 -222059.8743 163.7107 -1565.2423 -2143.1848 921491.4634 -1565.2423 -2143.1848
ENERGY: 485 19688.7722 19800.2991 5730.5256 185.2458 -335902.5877 23092.8479 0.0000 0.0000 44955.5725 -222449.3246 163.5360 -267404.8971 -222045.9606 163.5360 -422.1569 -2086.8734 921491.4634 -422.1569 -2086.8734
ENERGY: 486 19602.5429 19954.8175 5729.7198 182.4662 -335612.3579 23080.3816 0.0000 0.0000 44645.9117 -222416.5182 162.4096 -267062.4299 -222044.6761 162.4096 87.3181 -2070.0980 921491.4634 87.3181 -2070.0980
ENERGY: 487 19881.0928 20072.0212 5727.4347 179.4360 -335846.4493 23091.0553 0.0000 0.0000 44503.3493 -222392.0600 161.8910 -266895.4093 -222045.2407 161.8910 -192.2345 -2106.8839 921491.4634 -192.2345 -2106.8839
ENERGY: 488 20125.2100 20156.1361 5723.5441 176.4338 -336552.5464 23118.8625 0.0000 0.0000 44827.0556 -222425.3043 163.0685 -267252.3599 -222057.1940 163.0685 -1145.7531 -2194.6678 921491.4634 -1145.7531 -2194.6678
ENERGY: 489 20526.8872 20236.4610 5718.5749 173.8639 -337540.4667 23156.7319 0.0000 0.0000 45266.1004 -222461.8475 164.6656 -267727.9478 -222045.6087 164.6656 -2511.2402 -2316.7064 921491.4634 -2511.2402 -2316.7064
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7490 20292.9023 5712.8912 171.8438 -338458.1372 23196.4886 0.0000 0.0000 45213.5628 -222459.6995 164.4745 -267673.2623 -222048.2209 164.4745 -3823.4036 -2437.4153 921491.4634 -3823.4036 -2437.4153
ENERGY: 491 22430.4640 20312.1363 5707.3795 170.5404 -338984.5804 23226.0946 0.0000 0.0000 44733.0087 -222404.9570 162.7264 -267137.9657 -222049.4640 162.7264 -4629.6931 -2524.6213 921491.4634 -4629.6931 -2524.6213
ENERGY: 492 22612.9547 20289.6813 5702.9944 170.0208 -338937.5826 23232.7214 0.0000 0.0000 44542.1948 -222387.0153 162.0323 -266929.2100 -222060.3862 162.0323 -4606.8522 -2557.4728 921491.4634 -4606.8522 -2557.4728
ENERGY: 493 21558.2188 20260.7376 5700.7779 170.3201 -338358.0644 23214.0545 0.0000 0.0000 45033.8227 -222420.1328 163.8207 -267453.9555 -222046.5903 163.8207 -3796.3817 -2540.0994 921491.4634 -3796.3817 -2540.0994
ENERGY: 494 20068.3366 20225.0262 5700.9806 171.2193 -337454.3845 23183.0804 0.0000 0.0000 45622.2473 -222483.4941 165.9612 -268105.7414 -222044.0870 165.9612 -2500.8991 -2482.1066 921491.4634 -2500.8991 -2482.1066
ENERGY: 495 19383.2464 20186.8301 5703.5926 172.5416 -336566.9896 23159.4634 0.0000 0.0000 45484.1229 -222477.1927 165.4587 -267961.3156 -222041.5566 165.4587 -1249.6836 -2407.3054 921491.4634 -1249.6836 -2407.3054
ENERGY: 496 19722.4835 20130.6472 5708.0350 174.0933 -335998.7169 23154.2644 0.0000 0.0000 44699.5268 -222409.6666 162.6046 -267109.1934 -222049.0676 162.6046 -478.8999 -2343.4751 921491.4634 -478.8999 -2343.4751
ENERGY: 497 20212.6669 20059.9176 5713.4613 175.7242 -335952.5055 23166.3554 0.0000 0.0000 44261.0286 -222363.3517 161.0095 -266624.3802 -222042.7506 161.0095 -421.0233 -2316.7929 921491.4634 -421.0233 -2316.7929
ENERGY: 498 20182.0166 19957.1216 5718.5596 177.2604 -336366.4946 23189.3593 0.0000 0.0000 44728.2531 -222413.9240 162.7091 -267142.1770 -222044.5226 162.7091 -993.4680 -2331.6473 921491.4634 -993.4680 -2331.6473
ENERGY: 499 20158.0679 19847.7310 5722.4089 178.6361 -337058.4836 23219.2412 0.0000 0.0000 45439.2639 -222493.1345 165.2956 -267932.3984 -222047.2068 165.2956 -2020.8688 -2376.3391 921491.4634 -2020.8688 -2376.3391
Info: Benchmark time: 4 CPUs 0.456592 s/step 5.28463 days/ns 3223.95 MB memory
TIMING: 500 CPU: 234.166, 0.453141/step Wall: 234.166, 0.453141/step, 0 hours remaining, 3223.949219 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8938 19756.6585 5724.4523 179.8271 -337741.4200 23251.1016 0.0000 0.0000 45359.0772 -222495.4095 165.0039 -267854.4867 -222061.0913 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, 3228.887 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3228.887 MB of memory in use
====================================================
WallClock: 241.216217 CPUTime: 241.216217 Memory: 3228.886719 MB
[Partition 0][Node 0] End of program
Application 1110869 resources: utime ~948s, stime ~19s, Rss ~126376, inblocks ~66552, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.216217
CPU=241.216217
MEM=3228.886719
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 17 10:50 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 17 10:50 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 17 10:50 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 17 10:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189502 Dec 17 10:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 17 10:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 17 10:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 17 10:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 17 10:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 17 10:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 17 10:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 17 10:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 17 10:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 17 10:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 17 10:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 17 10:21 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/jenkins11591545995646542106.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}
