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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 ============== 54.5328
LDB: Largest compute 200 load 0.429498 is 1.2% of average load 36.853455
LDB: Average compute 0.051629 is 0.1% of average load 36.853455
LDB: Partitioning computes with target load 3.685345
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055746
LDB: ============== END OF LOAD BALANCING =============== 54.5349
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.5358
Info: Initial time: 4 CPUs 0.47413 s/step 5.48762 days/ns 3221.5 MB memory
TIMING: 100 CPU: 48.3859, 0.473232/step Wall: 48.3859, 0.473232/step, 0.0525813 hours remaining, 3221.503906 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 ============== 63.9802
LDB: ============== END OF LOAD BALANCING =============== 63.9802
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9807
TIMING: 120 CPU: 57.8295, 0.472183/step Wall: 57.8295, 0.472183/step, 0.0498416 hours remaining, 3221.687500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9640 -222340.8738 155.6399 -265125.8378 -222213.1814 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.2674, 0.471891/step Wall: 67.2674, 0.471891/step, 0.0471891 hours remaining, 3221.875000 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: 76.6925, 0.471259/step Wall: 76.6925, 0.471259/step, 0.0445078 hours remaining, 3222.160156 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 178 21917.7899 18733.9560 5737.6245 154.5770 -332975.2978 21015.2133 0.0000 0.0000 43101.1545 -222314.9825 156.7902 -265416.1371 -222126.1323 156.7902 -2936.2256 -2665.7683 921491.4634 -2936.2256 -2665.7683
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TIMING: 180 CPU: 86.1097, 0.470856/step Wall: 86.1097, 0.470856/step, 0.0418539 hours remaining, 3222.160156 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 186 19266.0404 19234.9570 5686.4352 181.9571 -332240.0935 21043.7459 0.0000 0.0000 44391.5887 -222435.3691 161.4844 -266826.9578 -222129.2887 161.4844 -2596.4731 -2731.4263 921491.4634 -2596.4731 -2731.4263
ENERGY: 187 22073.2966 19471.4302 5678.7398 184.6336 -333156.1125 21076.9265 0.0000 0.0000 42449.0056 -222222.0801 154.4178 -264671.0857 -222130.9079 154.4178 -3641.8535 -2802.0866 921491.4634 -3641.8535 -2802.0866
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 198 21224.0060 18800.3006 5711.3574 186.3640 -333385.4998 21161.1533 0.0000 0.0000 43911.2864 -222391.0321 159.7372 -266302.3185 -222090.4392 159.7372 -4381.6809 -2646.7680 921491.4634 -4381.6809 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.676
LDB: Largest compute 200 load 0.425526 is 1.2% of average load 36.673937
LDB: Average compute 0.051370 is 0.1% of average load 36.673937
LDB: TIME 101.678 LOAD: AVG 36.6739 MAX 37.6951 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.54 MB
LDB: TIME 101.68 LOAD: AVG 36.6739 MAX 37.5239 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.54 MB
LDB: ============== END OF LOAD BALANCING =============== 101.682
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.685
Info: Initial time: 4 CPUs 0.47132 s/step 5.45509 days/ns 3223.55 MB memory
TIMING: 200 CPU: 95.5278, 0.470905/step Wall: 95.5277, 0.470905/step, 0.039242 hours remaining, 3223.554688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 202 23622.8117 18850.8450 5722.5980 192.1474 -334305.3006 21243.2751 0.0000 0.0000 42432.5588 -222241.0646 154.3580 -264673.6234 -222096.8290 154.3580 -3005.0519 -2588.0014 921491.4634 -3005.0519 -2588.0014
ENERGY: 203 20743.8945 19130.0390 5729.2400 192.0764 -333501.9371 21215.8253 0.0000 0.0000 44059.6987 -222431.1633 160.2771 -266490.8620 -222093.6426 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6123 19486.9556 5734.1463 191.2124 -332722.2193 21188.8402 0.0000 0.0000 45629.4719 -222628.9806 165.9875 -268258.4525 -222116.6999 165.9875 452.9935 -2462.2928 921491.4634 452.9935 -2462.2928
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ENERGY: 207 21693.8031 20338.2890 5726.5434 185.3060 -333603.9785 21289.9000 0.0000 0.0000 42143.6913 -222226.4456 153.3072 -264370.1369 -222103.0929 153.3072 -1896.3476 -2585.9681 921491.4634 -1896.3476 -2585.9681
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 -2719.7952 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 21385.1736 20194.2568 5705.3139 178.4614 -336615.7770 21385.1095 0.0000 0.0000 45251.4334 -222516.0283 164.6123 -267767.4617 -222108.2018 164.6123 -6091.3664 -2896.2627 921491.4634 -6091.3664 -2896.2627
ENERGY: 211 24099.1930 19985.8631 5704.9373 176.9105 -336667.8929 21415.1476 0.0000 0.0000 43031.7285 -222254.1130 156.5376 -265285.8415 -222106.8543 156.5376 -5900.2979 -2885.1010 921491.4634 -5900.2979 -2885.1010
ENERGY: 212 23739.2710 19730.8222 5710.0295 176.0352 -336013.6226 21412.5982 0.0000 0.0000 42995.1639 -222249.7026 156.4046 -265244.8664 -222104.2318 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2160 19524.5249 5720.1722 175.9508 -334874.6442 21380.5551 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2253 -222097.3834 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5528 19421.7449 5733.3059 176.6827 -333645.3935 21358.4485 0.0000 0.0000 46958.4703 -222681.1885 170.8220 -269639.6587 -222093.7407 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5055 19441.9744 5746.5772 178.1492 -332787.3321 21379.5596 0.0000 0.0000 45302.6746 -222527.8916 164.7987 -267830.5662 -222091.0447 164.7987 784.0016 -2554.0368 921491.4634 784.0016 -2554.0368
ENERGY: 216 20973.4716 19522.5063 5756.9571 180.1770 -332560.1060 21436.4835 0.0000 0.0000 42442.1787 -222248.3317 154.3930 -264690.5105 -222073.6155 154.3930 420.9902 -2541.5429 921491.4634 420.9902 -2541.5429
ENERGY: 217 21778.3866 19581.4821 5762.2416 182.5517 -333010.6757 21497.2705 0.0000 0.0000 41983.6751 -222225.0682 152.7251 -264208.7432 -222064.4464 152.7251 -882.1699 -2598.7244 921491.4634 -882.1699 -2598.7244
ENERGY: 218 20165.9157 19540.0891 5761.2415 184.9927 -333856.1147 21546.6561 0.0000 0.0000 44178.6837 -222478.5360 160.7099 -266657.2196 -222068.8154 160.7099 -2628.0653 -2703.9747 921491.4634 -2628.0653 -2703.9747
ENERGY: 219 19429.8641 19413.3932 5754.3577 187.2447 -334778.0709 21596.8808 0.0000 0.0000 45751.9298 -222644.4007 166.4329 -268396.3304 -222073.1719 166.4329 -4457.7333 -2810.5237 921491.4634 -4457.7333 -2810.5237
TIMING: 220 CPU: 104.95, 0.471109/step Wall: 104.95, 0.471109/step, 0.0366418 hours remaining, 3223.554688 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: 114.364, 0.470718/step Wall: 114.364, 0.470718/step, 0.0339963 hours remaining, 3223.554688 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 20878.5480 19853.7023 5716.8932 174.1558 -334213.1204 21705.0850 0.0000 0.0000 43600.4182 -222284.3179 158.6063 -265884.7361 -222067.4297 158.6063 -1173.7928 -2523.3912 921491.4634 -1173.7928 -2523.3912
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ENERGY: 248 19035.4924 20164.4296 5713.8450 181.3144 -335623.1351 21746.4310 0.0000 0.0000 46185.9363 -222595.6864 168.0117 -268781.6227 -222090.3126 168.0117 -1359.1246 -2608.3066 921491.4634 -1359.1246 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9043 20013.1600 5733.2541 193.8023 -336093.2678 21826.9295 0.0000 0.0000 43905.3719 -222425.8456 159.7157 -266331.2176 -222091.3305 159.7157 -3843.4683 -2758.0339 921491.4634 -3843.4683 -2758.0339
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TIMING: 260 CPU: 123.769, 0.470219/step Wall: 123.769, 0.470219/step, 0.0313479 hours remaining, 3223.859375 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 19781.1229 20140.5621 5703.8103 187.9445 -335614.9712 21924.4739 0.0000 0.0000 45349.7771 -222527.2804 164.9700 -267877.0575 -222051.1547 164.9700 -2647.8116 -2773.3903 921491.4634 -2647.8116 -2773.3903
ENERGY: 264 19385.2260 20436.4304 5710.6950 187.5052 -334855.9508 21907.7771 0.0000 0.0000 44751.4784 -222476.8387 162.7936 -267228.3171 -222069.1982 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
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ENERGY: 266 20048.7897 20788.8700 5712.1327 187.6137 -334399.4573 21914.4804 0.0000 0.0000 43399.3798 -222348.1911 157.8750 -265747.5708 -222054.3633 157.8750 -2130.7238 -2664.5956 921491.4634 -2130.7238 -2664.5956
ENERGY: 267 19648.0903 20691.2678 5707.0583 187.8501 -334831.4852 21930.8373 0.0000 0.0000 44220.2169 -222446.1644 160.8610 -266666.3813 -222055.6583 160.8610 -2435.4232 -2662.6783 921491.4634 -2435.4232 -2662.6783
ENERGY: 268 19962.9159 20375.7516 5700.1930 187.9286 -335513.7448 21959.1256 0.0000 0.0000 44823.5377 -222504.2923 163.0557 -267327.8300 -222075.9874 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
ENERGY: 270 22620.1935 19450.9169 5690.3173 187.1618 -336650.6775 22028.8070 0.0000 0.0000 44308.0075 -222365.2736 161.1804 -266673.2811 -222067.0433 161.1804 -3583.3635 -2617.7583 921491.4634 -3583.3635 -2617.7583
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ENERGY: 272 21021.5586 18896.0662 5692.8269 184.9335 -335921.4616 22015.0579 0.0000 0.0000 45607.7076 -222503.3109 165.9083 -268111.0185 -222081.1571 165.9083 -2551.9686 -2501.8805 921491.4634 -2551.9686 -2501.8805
ENERGY: 273 20123.2138 18932.9080 5697.5118 183.8526 -334925.7013 21985.5295 0.0000 0.0000 45502.7161 -222499.9694 165.5264 -268002.6856 -222069.0458 165.5264 -1837.1977 -2434.6761 921491.4634 -1837.1977 -2434.6761
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ENERGY: 276 19401.8500 19594.7507 5701.2547 182.4904 -333292.1278 21971.0408 0.0000 0.0000 44028.5273 -222412.2140 160.1637 -266440.7413 -222072.9394 160.1637 -1580.1298 -2417.6041 921491.4634 -1580.1298 -2417.6041
ENERGY: 277 19149.2970 19724.7158 5695.5210 182.9396 -333864.3450 21997.2386 0.0000 0.0000 44632.8113 -222481.8217 162.3619 -267114.6330 -222061.0987 162.3619 -2311.7543 -2498.0545 921491.4634 -2311.7543 -2498.0545
ENERGY: 278 20199.4576 19713.7758 5686.9122 183.6585 -334821.1000 22041.3357 0.0000 0.0000 44532.2541 -222463.7061 161.9961 -266995.9602 -222063.4130 161.9961 -3254.8156 -2593.7697 921491.4634 -3254.8156 -2593.7697
ENERGY: 279 21984.3650 19593.9429 5677.5176 184.5187 -335888.5798 22096.4198 0.0000 0.0000 43975.0880 -222376.7278 159.9693 -266351.8159 -222065.2023 159.9693 -4044.3213 -2682.8390 921491.4634 -4044.3213 -2682.8390
TIMING: 280 CPU: 133.163, 0.469741/step Wall: 133.163, 0.469741/step, 0.0287064 hours remaining, 3223.859375 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 280 22859.3231 19458.4364 5670.0026 185.3899 -336752.6630 22145.1353 0.0000 0.0000 44066.7339 -222367.6417 160.3027 -266434.3756 -222073.4245 160.3027 -4286.3895 -2748.0547 921491.4634 -4286.3895 -2748.0547
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ENERGY: 282 20943.7900 19615.5377 5669.9796 186.8360 -336942.5033 22176.7653 0.0000 0.0000 45823.3372 -222526.2575 166.6927 -268349.5947 -222063.3313 166.6927 -2992.3274 -2779.3669 921491.4634 -2992.3274 -2779.3669
ENERGY: 283 20432.1062 19966.6613 5678.8137 187.1634 -336251.9199 22171.0646 0.0000 0.0000 45328.8522 -222487.2585 164.8939 -267816.1106 -222060.8457 164.8939 -2008.7738 -2748.2307 921491.4634 -2008.7738 -2748.2307
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ENERGY: 285 20203.3287 20789.9629 5707.3565 186.7145 -334827.1965 22167.0163 0.0000 0.0000 43418.2631 -222354.5546 157.9437 -265772.8177 -222053.5968 157.9437 -1010.8437 -2700.0821 921491.4634 -1010.8437 -2700.0821
ENERGY: 286 19396.6307 20966.5623 5721.5031 185.8229 -334658.1148 22176.6861 0.0000 0.0000 43785.6883 -222425.2213 159.2803 -266210.9096 -222054.0583 159.2803 -1306.7500 -2717.2847 921491.4634 -1306.7500 -2717.2847
ENERGY: 287 19176.1188 20856.7824 5731.9346 184.4714 -334918.1479 22200.2908 0.0000 0.0000 44282.9438 -222485.6060 161.0892 -266768.5498 -222055.7254 161.0892 -2148.9611 -2753.3345 921491.4634 -2148.9611 -2753.3345
ENERGY: 288 20263.2087 20475.2853 5736.9557 182.7335 -335468.3146 22237.9035 0.0000 0.0000 44116.9904 -222455.2374 160.4855 -266572.2278 -222066.9052 160.4855 -3310.5878 -2790.1554 921491.4634 -3310.5878 -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 ============== 148.722
LDB: Largest compute 200 load 0.522342 is 1.1% of average load 45.818963
LDB: Average compute 0.064185 is 0.1% of average load 45.818963
LDB: TIME 148.724 LOAD: AVG 45.819 MAX 47.037 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.06 MB
LDB: TIME 148.724 LOAD: AVG 45.819 MAX 47.037 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.06 MB
LDB: TIME 148.74 LOAD: AVG 45.819 MAX 46.3377 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.06 MB
LDB: ============== END OF LOAD BALANCING =============== 148.741
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.742
Info: Initial time: 4 CPUs 0.470119 s/step 5.44119 days/ns 3224.06 MB memory
TIMING: 300 CPU: 142.56, 0.469839/step Wall: 142.56, 0.469839/step, 0.0261021 hours remaining, 3224.058594 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: 151.798, 0.46191/step Wall: 151.798, 0.46191/step, 0.0230955 hours remaining, 3224.058594 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: 161.031, 0.461615/step Wall: 161.031, 0.461615/step, 0.0205162 hours remaining, 3224.058594 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: 170.256, 0.461265/step Wall: 170.256, 0.461265/step, 0.0179381 hours remaining, 3224.058594 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: 179.477, 0.461041/step Wall: 179.477, 0.461041/step, 0.015368 hours remaining, 3224.058594 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 19981.2271 19220.9466 5707.6638 175.9384 -334865.1817 22880.7954 0.0000 0.0000 44519.8587 -222378.7517 161.9510 -266898.6104 -222051.0438 161.9510 122.6671 -2011.2430 921491.4634 122.6671 -2011.2430
ENERGY: 387 20367.2857 19202.4845 5710.9355 174.6759 -335109.8725 22905.2740 0.0000 0.0000 44377.1818 -222372.0350 161.4320 -266749.2168 -222053.0051 161.4320 -738.9583 -2019.1690 921491.4634 -738.9583 -2019.1690
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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 ============== 194.884
LDB: Largest compute 230 load 0.525936 is 1.2% of average load 45.707992
LDB: Average compute 0.064010 is 0.1% of average load 45.707992
LDB: TIME 194.886 LOAD: AVG 45.708 MAX 46.1421 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.06 MB
LDB: TIME 194.887 LOAD: AVG 45.708 MAX 46.1421 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.06 MB
LDB: TIME 194.887 LOAD: AVG 45.708 MAX 46.1421 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.06 MB
LDB: ============== END OF LOAD BALANCING =============== 194.887
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.888
Info: Benchmark time: 4 CPUs 0.461366 s/step 5.33989 days/ns 3224.06 MB memory
TIMING: 400 CPU: 188.701, 0.461204/step Wall: 188.701, 0.461204/step, 0.0128112 hours remaining, 3224.058594 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 195.6953 -336157.5857 23063.1717 0.0000 0.0000 44200.2846 -222384.0420 160.7885 -266584.3266 -222052.9643 160.7885 -282.7609 -2224.6896 921491.4634 -282.7609 -2224.6896
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ENERGY: 418 20154.6645 20457.0910 5705.5847 188.6536 -336970.7863 23098.6727 0.0000 0.0000 44915.1421 -222450.9777 163.3889 -267366.1198 -222046.7092 163.3889 -671.8542 -2269.9920 921491.4634 -671.8542 -2269.9920
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TIMING: 420 CPU: 197.895, 0.459682/step Wall: 197.895, 0.459682/step, 0.0102152 hours remaining, 3224.058594 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 19603.3346 19432.3071 5702.4947 169.0990 -335270.6875 23080.2888 0.0000 0.0000 44862.7388 -222420.4246 163.1983 -267283.1633 -222049.1089 163.1983 -1125.8050 -2237.7216 921491.4634 -1125.8050 -2237.7216
ENERGY: 427 19598.5314 19595.2899 5707.1504 168.7509 -335498.4317 23074.5001 0.0000 0.0000 44915.2780 -222438.9310 163.3894 -267354.2089 -222048.7338 163.3894 -741.9008 -2207.6357 921491.4634 -741.9008 -2207.6357
ENERGY: 428 20140.4226 19760.4170 5710.4629 168.5259 -336199.9850 23087.7671 0.0000 0.0000 44884.2600 -222448.1295 163.2766 -267332.3895 -222058.0548 163.2766 -935.5731 -2206.9586 921491.4634 -935.5731 -2206.9586
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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 22013.9874 20024.3736 5712.1700 168.1897 -338096.9201 23149.4486 0.0000 0.0000 44626.3104 -222402.4404 162.3383 -267028.7508 -222047.3913 162.3383 -2472.2459 -2268.0467 921491.4634 -2472.2459 -2268.0467
ENERGY: 431 22204.1022 20111.4150 5711.2600 168.0704 -338644.7641 23172.3798 0.0000 0.0000 44858.4636 -222419.0730 163.1828 -267277.5366 -222048.7167 163.1828 -3116.2809 -2293.5593 921491.4634 -3116.2809 -2293.5593
ENERGY: 432 21768.3703 20188.6722 5710.3547 168.1086 -338651.2098 23176.0839 0.0000 0.0000 45177.9917 -222461.6285 164.3451 -267639.6202 -222065.9058 164.3451 -3350.2746 -2296.1500 921491.4634 -3350.2746 -2296.1500
ENERGY: 433 21200.9071 20275.9662 5710.3763 168.4633 -338164.0635 23162.2904 0.0000 0.0000 45192.9291 -222453.1311 164.3995 -267646.0602 -222052.5982 164.3995 -3187.3738 -2272.1278 921491.4634 -3187.3738 -2272.1278
ENERGY: 434 20730.3412 20338.1498 5711.6061 169.3247 -337394.2702 23140.7729 0.0000 0.0000 44883.1003 -222420.9752 163.2724 -267304.0754 -222051.1462 163.2724 -2694.3112 -2227.7887 921491.4634 -2694.3112 -2227.7887
ENERGY: 435 20235.2201 20362.4015 5714.0003 170.8455 -336680.6553 23123.4092 0.0000 0.0000 44675.9843 -222398.7944 162.5190 -267074.7787 -222049.5889 162.5190 -2061.3584 -2179.8953 921491.4634 -2061.3584 -2179.8953
ENERGY: 436 19670.9242 20349.9982 5717.2346 173.0864 -336303.8810 23119.9073 0.0000 0.0000 44847.0987 -222425.6316 163.1414 -267272.7304 -222059.6958 163.1414 -1520.6599 -2145.1619 921491.4634 -1520.6599 -2145.1619
ENERGY: 437 19434.5514 20329.5094 5720.9894 175.9827 -336411.9783 23136.3863 0.0000 0.0000 45159.2692 -222455.2900 164.2770 -267614.5591 -222050.7501 164.2770 -1319.1168 -2134.4850 921491.4634 -1319.1168 -2134.4850
ENERGY: 438 19935.1530 20278.6097 5724.6884 179.3848 -336899.4576 23173.5515 0.0000 0.0000 45148.1328 -222459.9372 164.2365 -267608.0700 -222051.5667 164.2365 -1493.0940 -2145.0882 921491.4634 -1493.0940 -2145.0882
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TIMING: 440 CPU: 207.085, 0.459514/step Wall: 207.085, 0.459514/step, 0.00765856 hours remaining, 3224.058594 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 20036.2372 5729.7527 186.7201 -338123.1810 23276.2483 0.0000 0.0000 44417.5462 -222405.1080 161.5788 -266822.6542 -222059.4774 161.5788 -2408.4614 -2197.9673 921491.4634 -2408.4614 -2197.9673
ENERGY: 441 22355.5486 19860.0409 5730.3488 190.1145 -338361.1718 23313.2043 0.0000 0.0000 44502.6967 -222409.2180 161.8886 -266911.9148 -222050.0861 161.8886 -2716.1030 -2221.5315 921491.4634 -2716.1030 -2221.5315
ENERGY: 442 21853.6117 19664.5348 5729.4854 192.9411 -338090.1536 23327.1566 0.0000 0.0000 44880.6324 -222441.7915 163.2634 -267322.4239 -222049.7757 163.2634 -2710.5580 -2229.0698 921491.4634 -2710.5580 -2229.0698
ENERGY: 443 21064.3316 19487.0721 5727.6165 194.9329 -337369.3153 23320.0157 0.0000 0.0000 45118.1111 -222457.2356 164.1273 -267575.3466 -222048.5997 164.1273 -2448.1652 -2220.3532 921491.4634 -2448.1652 -2220.3532
ENERGY: 444 20449.3364 19357.2687 5725.4095 195.8735 -336464.1920 23301.5275 0.0000 0.0000 44987.7179 -222447.0584 163.6530 -267434.7763 -222057.9793 163.6530 -2090.2100 -2206.4398 921491.4634 -2090.2100 -2206.4398
ENERGY: 445 20125.5609 19307.2515 5723.6513 195.6942 -335759.3911 23283.8138 0.0000 0.0000 44708.7156 -222414.7037 162.6380 -267123.4193 -222046.5424 162.6380 -1846.9626 -2201.6925 921491.4634 -1846.9626 -2201.6925
ENERGY: 446 19947.6805 19324.9004 5722.5430 194.3235 -335494.5705 23276.0451 0.0000 0.0000 44620.2947 -222408.7835 162.3164 -267029.0781 -222046.1616 162.3164 -1800.7516 -2216.7292 921491.4634 -1800.7516 -2216.7292
ENERGY: 447 19914.2847 19416.0209 5722.2107 191.8642 -335769.4397 23282.7458 0.0000 0.0000 44816.5090 -222425.8046 163.0301 -267242.3135 -222046.8339 163.0301 -1993.3109 -2253.0602 921491.4634 -1993.3109 -2253.0602
ENERGY: 448 20187.5920 19583.6799 5722.5764 188.5554 -336503.1802 23303.8904 0.0000 0.0000 45065.6676 -222451.2184 163.9365 -267516.8860 -222059.3480 163.9365 -2372.1876 -2303.7898 921491.4634 -2372.1876 -2303.7898
ENERGY: 449 20877.4060 19832.6985 5723.5712 184.8596 -337500.9074 23334.5923 0.0000 0.0000 45101.1679 -222446.6118 164.0657 -267547.7797 -222047.7098 164.0657 -2827.1080 -2356.1407 921491.4634 -2827.1080 -2356.1407
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4854 20108.1299 5724.4776 181.0898 -338419.3253 23364.6243 0.0000 0.0000 44854.3098 -222432.2085 163.1677 -267286.5183 -222048.7860 163.1677 -3116.6756 -2394.3896 921491.4634 -3116.6756 -2394.3896
ENERGY: 451 22355.5902 20357.7255 5724.7144 177.6517 -338952.0914 23381.8007 0.0000 0.0000 44542.6990 -222411.9099 162.0341 -266954.6089 -222048.8245 162.0341 -3074.2534 -2405.7797 921491.4634 -3074.2534 -2405.7797
ENERGY: 452 22246.2014 20536.0135 5723.8953 174.8859 -338927.1542 23378.0944 0.0000 0.0000 44452.9201 -222415.1437 161.7075 -266868.0638 -222059.6368 161.7075 -2659.9606 -2384.7567 921491.4634 -2659.9606 -2384.7567
ENERGY: 453 21399.8726 20641.1312 5722.2878 173.1350 -338392.7940 23354.5908 0.0000 0.0000 44683.7037 -222418.0728 162.5470 -267101.7765 -222043.5369 162.5470 -2048.3340 -2342.4667 921491.4634 -2048.3340 -2342.4667
ENERGY: 454 20248.3383 20654.1376 5720.2217 172.3637 -337567.1422 23320.6902 0.0000 0.0000 45008.1468 -222443.2439 163.7273 -267451.3907 -222041.8389 163.7273 -1453.4580 -2293.1449 921491.4634 -1453.4580 -2293.1449
ENERGY: 455 19486.7909 20584.7123 5718.4844 172.5169 -336790.6461 23290.4024 0.0000 0.0000 45086.5790 -222451.1601 164.0126 -267537.7391 -222040.8568 164.0126 -1151.8824 -2255.8570 921491.4634 -1151.8824 -2255.8570
ENERGY: 456 19493.3722 20440.6804 5717.7555 173.4248 -336350.1085 23274.9632 0.0000 0.0000 44811.4728 -222438.4395 163.0118 -267249.9122 -222055.3485 163.0118 -1305.5004 -2245.5823 921491.4634 -1305.5004 -2245.5823
ENERGY: 457 20047.4929 20251.9438 5718.5580 174.9241 -336395.8173 23277.8276 0.0000 0.0000 44521.8708 -222403.2002 161.9583 -266925.0710 -222049.4132 161.9583 -1906.4164 -2263.5013 921491.4634 -1906.4164 -2263.5013
ENERGY: 458 20585.8434 20019.2725 5720.7060 176.6081 -336835.0965 23294.7174 0.0000 0.0000 44632.7892 -222405.1598 162.3618 -267037.9491 -222051.2821 162.3618 -2684.6985 -2301.0427 921491.4634 -2684.6985 -2301.0427
ENERGY: 459 20903.4946 19784.9691 5724.0021 178.1985 -337468.1648 23318.6984 0.0000 0.0000 45113.9371 -222444.8652 164.1121 -267558.8022 -222053.1411 164.1121 -3350.5830 -2341.5796 921491.4634 -3350.5830 -2341.5796
TIMING: 460 CPU: 216.271, 0.459311/step Wall: 216.271, 0.459311/step, 0.00510345 hours remaining, 3224.058594 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 -338014.3770 23341.8002 0.0000 0.0000 45423.8569 -222480.6115 165.2395 -267904.4684 -222064.6834 165.2395 -3669.8202 -2365.2413 921491.4634 -3669.8202 -2365.2413
ENERGY: 461 21862.8763 19507.1075 5732.5752 180.4333 -338251.6219 23355.3935 0.0000 0.0000 45154.6142 -222458.6218 164.2601 -267613.2360 -222058.0505 164.2601 -3556.1667 -2361.1800 921491.4634 -3556.1667 -2361.1800
ENERGY: 462 22264.2256 19487.8108 5736.4822 180.9531 -337988.7172 23351.1086 0.0000 0.0000 44559.9295 -222408.2073 162.0968 -266968.1368 -222056.7212 162.0968 -2954.8202 -2323.4251 921491.4634 -2954.8202 -2323.4251
ENERGY: 463 21821.1793 19513.9015 5738.9361 181.1160 -337284.1030 23326.9477 0.0000 0.0000 44313.4573 -222388.5651 161.2002 -266702.0224 -222054.6240 161.2002 -2012.4427 -2264.0779 921491.4634 -2012.4427 -2264.0779
ENERGY: 464 20535.2463 19559.9271 5739.2518 181.0096 -336389.3836 23291.1942 0.0000 0.0000 44654.0268 -222428.7279 162.4391 -267082.7547 -222058.5723 162.4391 -1050.9226 -2205.5266 921491.4634 -1050.9226 -2205.5266
ENERGY: 465 19322.7829 19631.8854 5737.2898 180.7155 -335701.1528 23259.7391 0.0000 0.0000 45094.5688 -222474.1714 164.0416 -267568.7402 -222052.9382 164.0416 -512.3344 -2174.4006 921491.4634 -512.3344 -2174.4006
ENERGY: 466 19088.4511 19708.3581 5733.2107 180.2808 -335443.7718 23245.0603 0.0000 0.0000 45020.7908 -222467.6201 163.7733 -267488.4108 -222052.9780 163.7733 -630.3311 -2182.6708 921491.4634 -630.3311 -2182.6708
ENERGY: 467 19841.8069 19783.1742 5727.6703 179.7757 -335721.0942 23249.4529 0.0000 0.0000 44523.6664 -222415.5477 161.9649 -266939.2141 -222054.3489 161.9649 -1393.6025 -2232.5921 921491.4634 -1393.6025 -2232.5921
ENERGY: 468 20761.8481 19845.4941 5721.5089 179.2779 -336451.5662 23265.8125 0.0000 0.0000 44291.6584 -222385.9664 161.1209 -266677.6247 -222056.3591 161.1209 -2508.6714 -2314.1341 921491.4634 -2508.6714 -2314.1341
ENERGY: 469 21236.3015 19910.2019 5715.6824 178.8504 -337458.3197 23284.3961 0.0000 0.0000 44720.3201 -222412.5673 162.6802 -267132.8874 -222046.0751 162.6802 -3596.7406 -2405.7973 921491.4634 -3596.7406 -2405.7973
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1730 19972.8932 5710.9491 178.5947 -338383.2503 23297.0672 0.0000 0.0000 45346.4574 -222466.1157 164.9579 -267812.5731 -222047.6089 164.9579 -4259.6997 -2477.6832 921491.4634 -4259.6997 -2477.6832
ENERGY: 471 21732.8677 20054.6832 5707.9626 178.5890 -338913.2448 23297.5084 0.0000 0.0000 45471.3367 -222470.2971 165.4122 -267941.6339 -222047.5360 165.4122 -4290.5686 -2504.3177 921491.4634 -4290.5686 -2504.3177
ENERGY: 472 22081.2361 20161.5549 5707.0091 178.9047 -338870.6763 23279.4491 0.0000 0.0000 45028.5297 -222433.9928 163.8014 -267462.5225 -222059.5057 163.8014 -3659.7363 -2479.9185 921491.4634 -3659.7363 -2479.9185
ENERGY: 473 21866.1363 20289.3424 5707.9843 179.6165 -338307.7189 23240.7363 0.0000 0.0000 44634.5174 -222389.3858 162.3681 -267023.9032 -222043.8538 162.3681 -2556.3619 -2408.1658 921491.4634 -2556.3619 -2408.1658
ENERGY: 474 20842.9705 20372.0985 5710.2160 180.7466 -337438.4552 23189.2348 0.0000 0.0000 44733.2307 -222409.9580 162.7272 -267143.1887 -222041.2618 162.7272 -1295.5527 -2316.2729 921491.4634 -1295.5527 -2316.2729
ENERGY: 475 19674.2081 20371.7673 5712.9876 182.2512 -336604.2315 23142.3818 0.0000 0.0000 45070.2139 -222450.4215 163.9531 -267520.6354 -222039.4529 163.9531 -344.6450 -2232.2127 921491.4634 -344.6450 -2232.2127
ENERGY: 476 19235.7862 20282.0275 5715.7683 184.0125 -336100.0906 23115.8467 0.0000 0.0000 45106.0634 -222460.5860 164.0835 -267566.6494 -222053.6137 164.0835 -92.4049 -2183.0653 921491.4634 -92.4049 -2183.0653
ENERGY: 477 19704.7250 20145.9814 5718.4976 185.9230 -336101.8793 23114.2940 0.0000 0.0000 44812.3209 -222420.1373 163.0149 -267232.4582 -222044.8410 163.0149 -667.4945 -2171.8229 921491.4634 -667.4945 -2171.8229
ENERGY: 478 20493.4776 19974.7639 5721.0254 187.7262 -336537.4039 23131.2461 0.0000 0.0000 44627.0333 -222402.1313 162.3409 -267029.1647 -222047.4106 162.3409 -1807.1603 -2198.7957 921491.4634 -1807.1603 -2198.7957
ENERGY: 479 21125.3057 19793.3957 5723.3295 189.2099 -337215.5841 23156.6773 0.0000 0.0000 44802.1579 -222425.5081 162.9779 -267227.6660 -222050.5459 162.9779 -3089.8515 -2246.7918 921491.4634 -3089.8515 -2246.7918
TIMING: 480 CPU: 225.454, 0.459157/step Wall: 225.454, 0.459157/step, 0.00255087 hours remaining, 3224.058594 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 21624.0326 19623.1966 5725.3111 190.1900 -337854.6787 23181.5120 0.0000 0.0000 45051.6816 -222458.7547 163.8856 -267510.4364 -222064.6207 163.8856 -4077.7326 -2291.4892 921491.4634 -4077.7326 -2291.4892
ENERGY: 481 22092.4854 19510.0435 5727.0952 190.6351 -338199.2483 23196.7961 0.0000 0.0000 45041.3370 -222440.8560 163.8480 -267482.1930 -222052.5263 163.8480 -4466.2395 -2305.6733 921491.4634 -4466.2395 -2305.6733
ENERGY: 482 22186.3469 19466.6796 5728.4964 190.3598 -338044.5421 23192.7477 0.0000 0.0000 44865.8521 -222414.0598 163.2096 -267279.9118 -222051.4110 163.2096 -4059.3100 -2278.0615 921491.4634 -4059.3100 -2278.0615
ENERGY: 483 21553.1416 19511.5746 5729.5660 189.3226 -337426.2188 23165.8742 0.0000 0.0000 44861.8970 -222414.8427 163.1953 -267276.7397 -222048.7669 163.1953 -2964.1724 -2216.4116 921491.4634 -2964.1724 -2216.4116
ENERGY: 484 20460.8927 19631.1940 5730.2465 187.5455 -336590.8887 23126.1353 0.0000 0.0000 45003.6032 -222451.2715 163.7107 -267454.8747 -222059.8740 163.7107 -1565.2426 -2143.1850 921491.4634 -1565.2426 -2143.1850
ENERGY: 485 19688.7720 19800.2992 5730.5256 185.2458 -335902.5868 23092.8472 0.0000 0.0000 44955.5727 -222449.3244 163.5360 -267404.8971 -222045.9604 163.5360 -422.1570 -2086.8736 921491.4634 -422.1570 -2086.8736
ENERGY: 486 19602.5425 19954.8176 5729.7198 182.4662 -335612.3569 23080.3808 0.0000 0.0000 44645.9120 -222416.5179 162.4096 -267062.4300 -222044.6758 162.4096 87.3181 -2070.0983 921491.4634 87.3181 -2070.0983
ENERGY: 487 19881.0924 20072.0212 5727.4348 179.4360 -335846.4483 23091.0545 0.0000 0.0000 44503.3498 -222392.0597 161.8910 -266895.4095 -222045.2405 161.8910 -192.2345 -2106.8841 921491.4634 -192.2345 -2106.8841
ENERGY: 488 20125.2098 20156.1360 5723.5441 176.4338 -336552.5453 23118.8617 0.0000 0.0000 44827.0562 -222425.3037 163.0685 -267252.3599 -222057.1935 163.0685 -1145.7531 -2194.6679 921491.4634 -1145.7531 -2194.6679
ENERGY: 489 20526.8872 20236.4608 5718.5749 173.8639 -337540.4658 23156.7310 0.0000 0.0000 45266.1011 -222461.8469 164.6656 -267727.9480 -222045.6082 164.6656 -2511.2403 -2316.7066 921491.4634 -2511.2403 -2316.7066
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7490 20292.9021 5712.8912 171.8438 -338458.1366 23196.4877 0.0000 0.0000 45213.5638 -222459.6990 164.4745 -267673.2627 -222048.2204 164.4745 -3823.4038 -2437.4155 921491.4634 -3823.4038 -2437.4155
ENERGY: 491 22430.4641 20312.1361 5707.3795 170.5404 -338984.5801 23226.0936 0.0000 0.0000 44733.0099 -222404.9565 162.7264 -267137.9664 -222049.4634 162.7264 -4629.6936 -2524.6216 921491.4634 -4629.6936 -2524.6216
ENERGY: 492 22612.9550 20289.6812 5702.9945 170.0208 -338937.5826 23232.7204 0.0000 0.0000 44542.1960 -222387.0147 162.0323 -266929.2108 -222060.3857 162.0323 -4606.8527 -2557.4731 921491.4634 -4606.8527 -2557.4731
ENERGY: 493 21558.2192 20260.7377 5700.7779 170.3200 -338358.0644 23214.0535 0.0000 0.0000 45033.8239 -222420.1322 163.8207 -267453.9561 -222046.5897 163.8207 -3796.3823 -2540.0998 921491.4634 -3796.3823 -2540.0998
ENERGY: 494 20068.3370 20225.0264 5700.9806 171.2193 -337454.3845 23183.0793 0.0000 0.0000 45622.2484 -222483.4936 165.9612 -268105.7420 -222044.0864 165.9612 -2500.8996 -2482.1070 921491.4634 -2500.8996 -2482.1070
ENERGY: 495 19383.2464 20186.8304 5703.5926 172.5416 -336566.9895 23159.4623 0.0000 0.0000 45484.1241 -222477.1922 165.4587 -267961.3162 -222041.5560 165.4587 -1249.6840 -2407.3057 921491.4634 -1249.6840 -2407.3057
ENERGY: 496 19722.4832 20130.6474 5708.0350 174.0933 -335998.7163 23154.2633 0.0000 0.0000 44699.5281 -222409.6659 162.6046 -267109.1940 -222049.0669 162.6046 -478.8998 -2343.4752 921491.4634 -478.8998 -2343.4752
ENERGY: 497 20212.6666 20059.9177 5713.4613 175.7242 -335952.5048 23166.3543 0.0000 0.0000 44261.0299 -222363.3509 161.0095 -266624.3808 -222042.7499 161.0095 -421.0232 -2316.7930 921491.4634 -421.0232 -2316.7930
ENERGY: 498 20182.0164 19957.1215 5718.5597 177.2604 -336366.4938 23189.3582 0.0000 0.0000 44728.2544 -222413.9232 162.7091 -267142.1776 -222044.5218 162.7091 -993.4679 -2331.6474 921491.4634 -993.4679 -2331.6474
ENERGY: 499 20158.0678 19847.7308 5722.4090 178.6361 -337058.4828 23219.2401 0.0000 0.0000 45439.2653 -222493.1338 165.2956 -267932.3991 -222047.2061 165.2956 -2020.8687 -2376.3392 921491.4634 -2020.8687 -2376.3392
Info: Benchmark time: 4 CPUs 0.458597 s/step 5.30784 days/ns 3224.06 MB memory
TIMING: 500 CPU: 234.561, 0.455331/step Wall: 234.561, 0.455331/step, 0 hours remaining, 3224.058594 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 19756.6583 5724.4523 179.8271 -337741.4193 23251.1006 0.0000 0.0000 45359.0785 -222495.4087 165.0039 -267854.4873 -222061.0906 165.0039 -3197.5167 -2425.4142 921491.4634 -3197.5167 -2425.4142
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.148 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.148 MB of memory in use
====================================================
WallClock: 241.637894 CPUTime: 241.637894 Memory: 3229.148438 MB
[Partition 0][Node 0] End of program
Application 1110494 resources: utime ~949s, stime ~19s, Rss ~126460, inblocks ~66552, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.637894
CPU=241.637894
MEM=3229.148438
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 16 06:50 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 16 06:50 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 16 06:50 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 16 06:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189486 Dec 16 06:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 16 06:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 16 06:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 16 06:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 16 06:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 16 06:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 16 06:22 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 16 06:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 16 06:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 16 06:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 16 06:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 16 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/jenkins3842198030893656102.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}
