Skipping 716 KB..
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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 ============== 54.4047
LDB: Largest compute 200 load 0.428926 is 1.2% of average load 36.887979
LDB: Average compute 0.051681 is 0.1% of average load 36.887979
LDB: Partitioning computes with target load 3.688798
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055330
LDB: ============== END OF LOAD BALANCING =============== 54.4068
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.4077
Info: Initial time: 4 CPUs 0.474828 s/step 5.49569 days/ns 3221.52 MB memory
TIMING: 100 CPU: 48.4579, 0.473855/step Wall: 48.4579, 0.473855/step, 0.0526505 hours remaining, 3221.515625 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 ============== 63.8663
LDB: ============== END OF LOAD BALANCING =============== 63.8664
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.8669
TIMING: 120 CPU: 57.9158, 0.472894/step Wall: 57.9158, 0.472894/step, 0.0499166 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
ENERGY: 130 21553.6088 18898.7761 5736.4508 185.0194 -334776.0138 21118.0422 0.0000 0.0000 44811.1497 -222472.9667 163.0106 -267284.1164 -222216.5365 163.0106 -5536.0557 -2842.3154 921491.4634 -5536.0557 -2842.3154
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ENERGY: 138 21874.8524 19195.4802 5730.8549 192.8766 -333203.4344 21083.5324 0.0000 0.0000 42784.9640 -222340.8739 155.6399 -265125.8379 -222213.1815 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.3679, 0.472606/step Wall: 67.3679, 0.472606/step, 0.0472606 hours remaining, 3221.898438 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
ENERGY: 150 21015.8994 19956.3835 5767.3089 192.0924 -334899.3752 20845.5771 0.0000 0.0000 44606.5897 -222515.5242 162.2665 -267122.1139 -222153.2664 162.2665 -4472.9375 -2881.9210 921491.4634 -4472.9375 -2881.9210
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TIMING: 160 CPU: 76.8061, 0.471912/step Wall: 76.8061, 0.471912/step, 0.0445695 hours remaining, 3222.171875 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: 168 21619.4181 19999.6890 5775.3367 206.4584 -333382.4925 20963.4338 0.0000 0.0000 42492.3351 -222325.8215 154.5754 -264818.1566 -222149.7706 154.5754 -1735.9905 -2933.5976 921491.4634 -1735.9905 -2933.5976
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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: 177 21863.3194 18664.1736 5738.9484 156.2659 -332371.2411 20981.6518 0.0000 0.0000 42714.2625 -222252.6195 155.3827 -264966.8820 -222125.5136 155.3827 -2870.6845 -2681.8089 921491.4634 -2870.6845 -2681.8089
ENERGY: 178 21917.7900 18733.9560 5737.6245 154.5770 -332975.2976 21015.2132 0.0000 0.0000 43101.1545 -222314.9824 156.7902 -265416.1369 -222126.1321 156.7902 -2936.2257 -2665.7683 921491.4634 -2936.2257 -2665.7683
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TIMING: 180 CPU: 86.2359, 0.471487/step Wall: 86.2359, 0.471487/step, 0.04191 hours remaining, 3222.171875 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: 187 22073.2966 19471.4303 5678.7398 184.6336 -333156.1127 21076.9264 0.0000 0.0000 42449.0056 -222222.0803 154.4178 -264671.0859 -222130.9081 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 198 21224.0061 18800.3006 5711.3574 186.3640 -333385.4998 21161.1533 0.0000 0.0000 43911.2863 -222391.0321 159.7372 -266302.3184 -222090.4392 159.7372 -4381.6809 -2646.7679 921491.4634 -4381.6809 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.618
LDB: Largest compute 200 load 0.424427 is 1.2% of average load 36.704057
LDB: Average compute 0.051418 is 0.1% of average load 36.704057
LDB: TIME 101.62 LOAD: AVG 36.7041 MAX 37.751 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.55 MB
LDB: TIME 101.622 LOAD: AVG 36.7041 MAX 37.5774 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.55 MB
LDB: ============== END OF LOAD BALANCING =============== 101.624
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.627
Info: Initial time: 4 CPUs 0.47208 s/step 5.46388 days/ns 3223.21 MB memory
TIMING: 200 CPU: 95.6757, 0.471992/step Wall: 95.6757, 0.471992/step, 0.0393326 hours remaining, 3223.210938 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
ENERGY: 210 21385.1737 20194.2568 5705.3139 178.4614 -336615.7768 21385.1096 0.0000 0.0000 45251.4334 -222516.0280 164.6123 -267767.4614 -222108.2014 164.6123 -6091.3664 -2896.2626 921491.4634 -6091.3664 -2896.2626
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TIMING: 220 CPU: 105.121, 0.472244/step Wall: 105.121, 0.472244/step, 0.0367301 hours remaining, 3223.210938 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: 114.561, 0.472013/step Wall: 114.561, 0.472013/step, 0.0340898 hours remaining, 3223.210938 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 19853.7024 5716.8932 174.1558 -334213.1204 21705.0850 0.0000 0.0000 43600.4181 -222284.3179 158.6063 -265884.7360 -222067.4296 158.6063 -1173.7928 -2523.3912 921491.4634 -1173.7928 -2523.3912
ENERGY: 247 19868.5286 19979.6440 5712.7400 177.5412 -334802.1842 21719.8454 0.0000 0.0000 44912.1911 -222431.6938 163.3782 -267343.8849 -222068.1395 163.3782 -982.9999 -2552.5931 921491.4634 -982.9999 -2552.5931
ENERGY: 248 19035.4925 20164.4297 5713.8450 181.3144 -335623.1354 21746.4310 0.0000 0.0000 46185.9362 -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 18950.9578 5693.4518 195.6570 -332975.5972 21757.6847 0.0000 0.0000 43181.1612 -222297.2438 157.0812 -265478.4050 -222071.2740 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
ENERGY: 257 20029.5653 18878.1873 5681.1759 194.7976 -333481.0039 21780.2419 0.0000 0.0000 44488.5468 -222428.4891 161.8371 -266917.0359 -222060.1684 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5867 18882.0666 5673.2911 193.6684 -334373.1545 21817.5077 0.0000 0.0000 45796.2577 -222556.7763 166.5942 -268353.0340 -222062.0609 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 123.997, 0.471783/step Wall: 123.997, 0.471783/step, 0.0314522 hours remaining, 3223.617188 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 263 19781.1228 20140.5622 5703.8103 187.9445 -335614.9711 21924.4740 0.0000 0.0000 45349.7770 -222527.2803 164.9700 -267877.0573 -222051.1547 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2259 20436.4305 5710.6950 187.5052 -334855.9510 21907.7772 0.0000 0.0000 44751.4783 -222476.8389 162.7936 -267228.3172 -222069.1984 162.7936 -2191.1925 -2723.5293 921491.4634 -2191.1925 -2723.5293
ENERGY: 265 19946.8414 20681.9926 5713.6241 187.4392 -334395.6631 21906.0163 0.0000 0.0000 43607.6373 -222352.1121 158.6326 -265959.7494 -222054.3372 158.6326 -2038.0571 -2683.6034 921491.4634 -2038.0571 -2683.6034
ENERGY: 266 20048.7898 20788.8701 5712.1327 187.6137 -334399.4576 21914.4805 0.0000 0.0000 43399.3796 -222348.1912 157.8750 -265747.5708 -222054.3635 157.8750 -2130.7239 -2664.5955 921491.4634 -2130.7239 -2664.5955
ENERGY: 267 19648.0905 20691.2679 5707.0583 187.8501 -334831.4856 21930.8374 0.0000 0.0000 44220.2167 -222446.1646 160.8610 -266666.3813 -222055.6585 160.8610 -2435.4233 -2662.6782 921491.4634 -2435.4233 -2662.6782
ENERGY: 268 19962.9161 20375.7517 5700.1930 187.9286 -335513.7452 21959.1258 0.0000 0.0000 44823.5376 -222504.2925 163.0557 -267327.8301 -222075.9876 163.0557 -2903.2124 -2658.6180 921491.4634 -2903.2124 -2658.6180
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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 22620.1934 19450.9168 5690.3173 187.1618 -336650.6777 22028.8071 0.0000 0.0000 44308.0074 -222365.2739 161.1804 -266673.2813 -222067.0435 161.1804 -3583.3634 -2617.7582 921491.4634 -3583.3634 -2617.7582
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ENERGY: 272 21021.5585 18896.0662 5692.8269 184.9335 -335921.4614 22015.0581 0.0000 0.0000 45607.7075 -222503.3108 165.9083 -268111.0183 -222081.1570 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7011 21985.5297 0.0000 0.0000 45502.7160 -222499.9694 165.5264 -268002.6854 -222069.0457 165.5264 -1837.1974 -2434.6759 921491.4634 -1837.1974 -2434.6759
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ENERGY: 276 19401.8501 19594.7508 5701.2547 182.4904 -333292.1280 21971.0411 0.0000 0.0000 44028.5270 -222412.2139 160.1637 -266440.7410 -222072.9394 160.1637 -1580.1299 -2417.6040 921491.4634 -1580.1299 -2417.6040
ENERGY: 277 19149.2972 19724.7160 5695.5210 182.9396 -333864.3452 21997.2388 0.0000 0.0000 44632.8110 -222481.8217 162.3619 -267114.6327 -222061.0987 162.3619 -2311.7544 -2498.0545 921491.4634 -2311.7544 -2498.0545
ENERGY: 278 20199.4577 19713.7759 5686.9122 183.6585 -334821.1003 22041.3360 0.0000 0.0000 44532.2539 -222463.7060 161.9961 -266995.9600 -222063.4130 161.9961 -3254.8157 -2593.7696 921491.4634 -3254.8157 -2593.7696
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TIMING: 280 CPU: 133.418, 0.471056/step Wall: 133.418, 0.471056/step, 0.0287868 hours remaining, 3223.617188 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 286 19396.6309 20966.5624 5721.5031 185.8230 -334658.1149 22176.6864 0.0000 0.0000 43785.6880 -222425.2212 159.2803 -266210.9092 -222054.0582 159.2803 -1306.7501 -2717.2847 921491.4634 -1306.7501 -2717.2847
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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 ============== 148.803
LDB: Largest compute 200 load 0.519188 is 1.1% of average load 45.842182
LDB: Average compute 0.064211 is 0.1% of average load 45.842182
LDB: TIME 148.804 LOAD: AVG 45.8422 MAX 47.1652 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.04 MB
LDB: TIME 148.805 LOAD: AVG 45.8422 MAX 47.1652 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.04 MB
LDB: TIME 148.822 LOAD: AVG 45.8422 MAX 46.353 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.04 MB
LDB: ============== END OF LOAD BALANCING =============== 148.823
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.824
Info: Initial time: 4 CPUs 0.471419 s/step 5.45624 days/ns 3224.04 MB memory
TIMING: 300 CPU: 142.84, 0.471104/step Wall: 142.84, 0.471104/step, 0.0261724 hours remaining, 3224.039062 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: 152.079, 0.461984/step Wall: 152.079, 0.461984/step, 0.0230992 hours remaining, 3224.039062 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: 161.311, 0.461565/step Wall: 161.311, 0.461565/step, 0.020514 hours remaining, 3224.039062 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: 170.536, 0.461276/step Wall: 170.536, 0.461276/step, 0.0179385 hours remaining, 3224.039062 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 20646.4606 20251.1596 5706.5521 182.3249 -335763.5803 22794.3775 0.0000 0.0000 43848.2752 -222334.4304 159.5080 -266182.7056 -222041.4014 159.5080 -1819.5854 -2472.4985 921491.4634 -1819.5854 -2472.4985
ENERGY: 378 20473.8098 20495.6597 5711.4639 183.2952 -336584.2281 22821.5838 0.0000 0.0000 44474.7534 -222423.6622 161.7869 -266898.4156 -222044.3969 161.7869 -2972.9871 -2523.3498 921491.4634 -2972.9871 -2523.3498
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TIMING: 380 CPU: 179.755, 0.460936/step Wall: 179.755, 0.460936/step, 0.0153645 hours remaining, 3224.039062 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 19981.2272 19220.9462 5707.6637 175.9384 -334865.1814 22880.7957 0.0000 0.0000 44519.8584 -222378.7518 161.9510 -266898.6102 -222051.0440 161.9510 122.6671 -2011.2428 921491.4634 122.6671 -2011.2428
ENERGY: 387 20367.2859 19202.4842 5710.9354 174.6759 -335109.8721 22905.2743 0.0000 0.0000 44377.1813 -222372.0352 161.4320 -266749.2165 -222053.0053 161.4320 -738.9584 -2019.1689 921491.4634 -738.9584 -2019.1689
ENERGY: 388 20282.3986 19280.0165 5717.2934 173.7038 -335824.1513 22938.2899 0.0000 0.0000 44972.7758 -222459.6733 163.5986 -267432.4491 -222067.4820 163.5986 -2063.8553 -2076.2822 921491.4634 -2063.8553 -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 19692.8114 20133.3596 5716.9814 176.0456 -336812.3377 23014.0581 0.0000 0.0000 45592.7321 -222486.3496 165.8538 -268079.0816 -222045.7222 165.8538 -1710.2236 -2443.6965 921491.4634 -1710.2236 -2443.6965
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LDB: ============= START OF LOAD BALANCING ============== 194.961
LDB: Largest compute 230 load 0.524958 is 1.1% of average load 45.719951
LDB: Average compute 0.064036 is 0.1% of average load 45.719951
LDB: TIME 194.962 LOAD: AVG 45.72 MAX 46.1363 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.04 MB
LDB: TIME 194.963 LOAD: AVG 45.72 MAX 46.1363 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.04 MB
LDB: TIME 194.963 LOAD: AVG 45.72 MAX 46.1363 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.04 MB
LDB: ============== END OF LOAD BALANCING =============== 194.964
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.965
Info: Benchmark time: 4 CPUs 0.461301 s/step 5.33914 days/ns 3224.04 MB memory
TIMING: 400 CPU: 188.974, 0.460952/step Wall: 188.974, 0.460952/step, 0.0128042 hours remaining, 3224.039062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 402 22444.0481 19835.9107 5715.8942 173.8391 -338107.6285 23109.6374 0.0000 0.0000 44436.8099 -222391.4890 161.6489 -266828.2989 -222049.2226 161.6489 -4939.3798 -2681.7026 921491.4634 -4939.3798 -2681.7026
ENERGY: 403 20784.9696 19778.4826 5715.7218 174.2695 -337239.9781 23077.8398 0.0000 0.0000 45225.5964 -222483.0984 164.5183 -267708.6948 -222046.6854 164.5183 -3613.5980 -2605.7429 921491.4634 -3613.5980 -2605.7429
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ENERGY: 408 19735.8468 19387.6642 5692.2151 187.5226 -335902.8213 23017.8170 0.0000 0.0000 45394.4123 -222487.3432 165.1324 -267881.7555 -222063.5312 165.1324 -920.8281 -2294.1556 921491.4634 -920.8281 -2294.1556
ENERGY: 409 20350.1187 19376.4606 5688.4775 191.1593 -336896.6843 23057.9919 0.0000 0.0000 45733.6060 -222498.8704 166.3663 -268232.4764 -222051.6705 166.3663 -2367.4921 -2346.9326 921491.4634 -2367.4921 -2346.9326
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5211 19470.1802 5687.6649 194.4179 -337813.1845 23106.2026 0.0000 0.0000 45077.0717 -222427.1261 163.9780 -267504.1978 -222054.6427 163.9780 -3838.6214 -2402.0241 921491.4634 -3838.6214 -2402.0241
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ENERGY: 413 21130.1419 20138.5251 5699.9333 199.7191 -337872.5326 23125.1114 0.0000 0.0000 45113.2144 -222465.8873 164.1095 -267579.1016 -222055.3457 164.1095 -3850.6272 -2398.9551 921491.4634 -3850.6272 -2398.9551
ENERGY: 414 19987.3857 20381.5510 5705.1134 199.5118 -337122.7805 23094.4556 0.0000 0.0000 45271.6529 -222483.1101 164.6858 -267754.7629 -222052.1627 164.6858 -2501.3244 -2333.9466 921491.4634 -2501.3244 -2333.9466
ENERGY: 415 19745.2665 20572.1263 5708.7451 198.1487 -336456.1979 23071.1990 0.0000 0.0000 44733.2274 -222427.4848 162.7272 -267160.7123 -222049.0350 162.7272 -1174.6453 -2266.5617 921491.4634 -1174.6453 -2266.5617
ENERGY: 416 19942.3168 20661.9900 5710.0857 195.6954 -336157.5865 23063.1714 0.0000 0.0000 44200.2850 -222384.0423 160.7885 -266584.3273 -222052.9646 160.7885 -282.7612 -2224.6897 921491.4634 -282.7612 -2224.6897
ENERGY: 417 20031.3748 20631.3212 5709.0493 192.4696 -336373.1077 23072.1098 0.0000 0.0000 44338.4618 -222398.3211 161.2911 -266736.7829 -222044.6995 161.2911 -112.4552 -2227.1700 921491.4634 -112.4552 -2227.1700
ENERGY: 418 20154.6646 20457.0911 5705.5847 188.6536 -336970.7869 23098.6726 0.0000 0.0000 44915.1422 -222450.9780 163.3889 -267366.1202 -222046.7095 163.3889 -671.8545 -2269.9921 921491.4634 -671.8545 -2269.9921
ENERGY: 419 20790.7629 20185.5524 5700.4810 184.6055 -337717.8758 23139.8024 0.0000 0.0000 45250.3101 -222466.3615 164.6082 -267716.6716 -222049.5952 164.6082 -1783.9422 -2336.6464 921491.4634 -1783.9422 -2336.6464
TIMING: 420 CPU: 198.171, 0.459828/step Wall: 198.171, 0.459828/step, 0.0102184 hours remaining, 3224.039062 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: 423 21418.8987 19324.4270 5689.6736 172.2145 -337416.8954 23180.6040 0.0000 0.0000 45183.9710 -222447.1065 164.3669 -267631.0775 -222051.5234 164.3669 -3955.8307 -2434.9305 921491.4634 -3955.8307 -2434.9305
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ENERGY: 427 19598.5314 19595.2899 5707.1504 168.7509 -335498.4310 23074.5006 0.0000 0.0000 44915.2771 -222438.9307 163.3894 -267354.2078 -222048.7335 163.3894 -741.9005 -2207.6352 921491.4634 -741.9005 -2207.6352
ENERGY: 428 20140.4226 19760.4172 5710.4628 168.5259 -336199.9850 23087.7676 0.0000 0.0000 44884.2591 -222448.1298 163.2766 -267332.3889 -222058.0551 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 22013.9872 20024.3741 5712.1700 168.1897 -338096.9206 23149.4491 0.0000 0.0000 44626.3097 -222402.4407 162.3382 -267028.7504 -222047.3916 162.3382 -2472.2458 -2268.0465 921491.4634 -2472.2458 -2268.0465
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ENERGY: 432 21768.3706 20188.6729 5710.3546 168.1086 -338651.2103 23176.0843 0.0000 0.0000 45177.9908 -222461.6285 164.3451 -267639.6193 -222065.9058 164.3451 -3350.2743 -2296.1497 921491.4634 -3350.2743 -2296.1497
ENERGY: 433 21200.9073 20275.9668 5710.3763 168.4633 -338164.0639 23162.2908 0.0000 0.0000 45192.9283 -222453.1311 164.3995 -267646.0594 -222052.5982 164.3995 -3187.3733 -2272.1276 921491.4634 -3187.3733 -2272.1276
ENERGY: 434 20730.3411 20338.1503 5711.6061 169.3247 -337394.2704 23140.7732 0.0000 0.0000 44883.0998 -222420.9751 163.2724 -267304.0749 -222051.1462 163.2724 -2694.3107 -2227.7885 921491.4634 -2694.3107 -2227.7885
ENERGY: 435 20235.2199 20362.4018 5714.0003 170.8455 -336680.6553 23123.4094 0.0000 0.0000 44675.9840 -222398.7944 162.5190 -267074.7784 -222049.5888 162.5190 -2061.3581 -2179.8951 921491.4634 -2061.3581 -2179.8951
ENERGY: 436 19670.9240 20349.9984 5717.2345 173.0864 -336303.8810 23119.9074 0.0000 0.0000 44847.0985 -222425.6318 163.1414 -267272.7303 -222059.6960 163.1414 -1520.6598 -2145.1618 921491.4634 -1520.6598 -2145.1618
ENERGY: 437 19434.5514 20329.5093 5720.9893 175.9827 -336411.9783 23136.3864 0.0000 0.0000 45159.2689 -222455.2902 164.2770 -267614.5591 -222050.7504 164.2770 -1319.1169 -2134.4849 921491.4634 -1319.1169 -2134.4849
ENERGY: 438 19935.1531 20278.6096 5724.6883 179.3848 -336899.4575 23173.5516 0.0000 0.0000 45148.1327 -222459.9375 164.2365 -267608.0701 -222051.5669 164.2365 -1493.0942 -2145.0882 921491.4634 -1493.0942 -2145.0882
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TIMING: 440 CPU: 207.359, 0.459419/step Wall: 207.359, 0.459419/step, 0.00765698 hours remaining, 3224.039062 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 22071.5685 20036.2370 5729.7526 186.7201 -338123.1809 23276.2483 0.0000 0.0000 44417.5462 -222405.1083 161.5788 -266822.6544 -222059.4776 161.5788 -2408.4616 -2197.9673 921491.4634 -2408.4616 -2197.9673
ENERGY: 441 22355.5488 19860.0407 5730.3487 190.1145 -338361.1718 23313.2042 0.0000 0.0000 44502.6965 -222409.2182 161.8886 -266911.9148 -222050.0863 161.8886 -2716.1031 -2221.5315 921491.4634 -2716.1031 -2221.5315
ENERGY: 442 21853.6120 19664.5347 5729.4854 192.9411 -338090.1534 23327.1565 0.0000 0.0000 44880.6320 -222441.7917 163.2634 -267322.4237 -222049.7759 163.2634 -2710.5579 -2229.0698 921491.4634 -2710.5579 -2229.0698
ENERGY: 443 21064.3316 19487.0721 5727.6164 194.9329 -337369.3149 23320.0155 0.0000 0.0000 45118.1107 -222457.2358 164.1273 -267575.3464 -222048.5999 164.1273 -2448.1651 -2220.3533 921491.4634 -2448.1651 -2220.3533
ENERGY: 444 20449.3362 19357.2688 5725.4095 195.8735 -336464.1919 23301.5273 0.0000 0.0000 44987.7175 -222447.0591 163.6530 -267434.7766 -222057.9800 163.6530 -2090.2101 -2206.4401 921491.4634 -2090.2101 -2206.4401
ENERGY: 445 20125.5606 19307.2516 5723.6513 195.6942 -335759.3908 23283.8135 0.0000 0.0000 44708.7151 -222414.7044 162.6380 -267123.4195 -222046.5431 162.6380 -1846.9627 -2201.6927 921491.4634 -1846.9627 -2201.6927
ENERGY: 446 19947.6803 19324.9004 5722.5429 194.3235 -335494.5701 23276.0448 0.0000 0.0000 44620.2940 -222408.7841 162.3164 -267029.0782 -222046.1623 162.3164 -1800.7518 -2216.7295 921491.4634 -1800.7518 -2216.7295
ENERGY: 447 19914.2846 19416.0209 5722.2107 191.8641 -335769.4392 23282.7454 0.0000 0.0000 44816.5082 -222425.8052 163.0301 -267242.3135 -222046.8345 163.0301 -1993.3113 -2253.0604 921491.4634 -1993.3113 -2253.0604
ENERGY: 448 20187.5919 19583.6799 5722.5764 188.5554 -336503.1792 23303.8901 0.0000 0.0000 45065.6669 -222451.2187 163.9365 -267516.8855 -222059.3482 163.9365 -2372.1879 -2303.7900 921491.4634 -2372.1879 -2303.7900
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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 21754.4854 20108.1300 5724.4776 181.0897 -338419.3243 23364.6240 0.0000 0.0000 44854.3089 -222432.2088 163.1676 -267286.5177 -222048.7862 163.1676 -3116.6759 -2394.3897 921491.4634 -3116.6759 -2394.3897
ENERGY: 451 22355.5904 20357.7256 5724.7144 177.6517 -338952.0904 23381.8004 0.0000 0.0000 44542.6978 -222411.9102 162.0341 -266954.6080 -222048.8247 162.0341 -3074.2536 -2405.7799 921491.4634 -3074.2536 -2405.7799
ENERGY: 452 22246.2016 20536.0136 5723.8953 174.8859 -338927.1535 23378.0941 0.0000 0.0000 44452.9188 -222415.1443 161.7075 -266868.0631 -222059.6374 161.7075 -2659.9608 -2384.7570 921491.4634 -2659.9608 -2384.7570
ENERGY: 453 21399.8726 20641.1313 5722.2878 173.1350 -338392.7932 23354.5904 0.0000 0.0000 44683.7026 -222418.0734 162.5470 -267101.7760 -222043.5375 162.5470 -2048.3341 -2342.4670 921491.4634 -2048.3341 -2342.4670
ENERGY: 454 20248.3379 20654.1377 5720.2217 172.3637 -337567.1412 23320.6898 0.0000 0.0000 45008.1459 -222443.2445 163.7273 -267451.3904 -222041.8395 163.7273 -1453.4581 -2293.1452 921491.4634 -1453.4581 -2293.1452
ENERGY: 455 19486.7905 20584.7123 5718.4844 172.5169 -336790.6450 23290.4020 0.0000 0.0000 45086.5781 -222451.1607 164.0126 -267537.7388 -222040.8574 164.0126 -1151.8825 -2255.8573 921491.4634 -1151.8825 -2255.8573
ENERGY: 456 19493.3720 20440.6803 5717.7556 173.4248 -336350.1069 23274.9628 0.0000 0.0000 44811.4719 -222438.4395 163.0118 -267249.9114 -222055.3486 163.0118 -1305.5004 -2245.5824 921491.4634 -1305.5004 -2245.5824
ENERGY: 457 20047.4927 20251.9437 5718.5580 174.9241 -336395.8159 23277.8271 0.0000 0.0000 44521.8701 -222403.2003 161.9583 -266925.0703 -222049.4133 161.9583 -1906.4165 -2263.5014 921491.4634 -1906.4165 -2263.5014
ENERGY: 458 20585.8432 20019.2724 5720.7061 176.6081 -336835.0954 23294.7169 0.0000 0.0000 44632.7887 -222405.1600 162.3618 -267037.9487 -222051.2823 162.3618 -2684.6988 -2301.0428 921491.4634 -2684.6988 -2301.0428
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TIMING: 460 CPU: 216.539, 0.459018/step Wall: 216.539, 0.459018/step, 0.0051002 hours remaining, 3224.039062 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: 462 22264.2258 19487.8109 5736.4823 180.9531 -337988.7171 23351.1082 0.0000 0.0000 44559.9293 -222408.2075 162.0968 -266968.1368 -222056.7215 162.0968 -2954.8203 -2323.4252 921491.4634 -2954.8203 -2323.4252
ENERGY: 463 21821.1792 19513.9017 5738.9361 181.1160 -337284.1028 23326.9473 0.0000 0.0000 44313.4573 -222388.5653 161.2002 -266702.0226 -222054.6243 161.2002 -2012.4426 -2264.0779 921491.4634 -2012.4426 -2264.0779
ENERGY: 464 20535.2460 19559.9274 5739.2518 181.0096 -336389.3840 23291.1937 0.0000 0.0000 44654.0269 -222428.7287 162.4391 -267082.7555 -222058.5731 162.4391 -1050.9229 -2205.5271 921491.4634 -1050.9229 -2205.5271
ENERGY: 465 19322.7826 19631.8856 5737.2899 180.7155 -335701.1533 23259.7386 0.0000 0.0000 45094.5689 -222474.1721 164.0416 -267568.7410 -222052.9389 164.0416 -512.3348 -2174.4010 921491.4634 -512.3348 -2174.4010
ENERGY: 466 19088.4510 19708.3583 5733.2107 180.2808 -335443.7724 23245.0599 0.0000 0.0000 45020.7909 -222467.6208 163.7733 -267488.4117 -222052.9787 163.7733 -630.3315 -2182.6713 921491.4634 -630.3315 -2182.6713
ENERGY: 467 19841.8068 19783.1744 5727.6704 179.7757 -335721.0949 23249.4525 0.0000 0.0000 44523.6668 -222415.5484 161.9649 -266939.2152 -222054.3496 161.9649 -1393.6031 -2232.5926 921491.4634 -1393.6031 -2232.5926
ENERGY: 468 20761.8480 19845.4943 5721.5090 179.2778 -336451.5664 23265.8120 0.0000 0.0000 44291.6589 -222385.9664 161.1209 -266677.6253 -222056.3592 161.1209 -2508.6715 -2314.1341 921491.4634 -2508.6715 -2314.1341
ENERGY: 469 21236.3016 19910.2021 5715.6824 178.8504 -337458.3201 23284.3957 0.0000 0.0000 44720.3206 -222412.5673 162.6802 -267132.8880 -222046.0751 162.6802 -3596.7408 -2405.7974 921491.4634 -3596.7408 -2405.7974
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 19972.8934 5710.9491 178.5947 -338383.2508 23297.0668 0.0000 0.0000 45346.4577 -222466.1157 164.9580 -267812.5735 -222047.6089 164.9580 -4259.6998 -2477.6833 921491.4634 -4259.6998 -2477.6833
ENERGY: 471 21732.8681 20054.6836 5707.9626 178.5890 -338913.2453 23297.5080 0.0000 0.0000 45471.3368 -222470.2971 165.4122 -267941.6340 -222047.5360 165.4122 -4290.5686 -2504.3177 921491.4634 -4290.5686 -2504.3177
ENERGY: 472 22081.2363 20161.5552 5707.0091 178.9047 -338870.6768 23279.4487 0.0000 0.0000 45028.5298 -222433.9930 163.8014 -267462.5228 -222059.5059 163.8014 -3659.7363 -2479.9185 921491.4634 -3659.7363 -2479.9185
ENERGY: 473 21866.1363 20289.3427 5707.9843 179.6165 -338307.7190 23240.7359 0.0000 0.0000 44634.5174 -222389.3860 162.3681 -267023.9034 -222043.8541 162.3681 -2556.3618 -2408.1659 921491.4634 -2556.3618 -2408.1659
ENERGY: 474 20842.9703 20372.0986 5710.2160 180.7466 -337438.4549 23189.2344 0.0000 0.0000 44733.2306 -222409.9583 162.7272 -267143.1889 -222041.2621 162.7272 -1295.5525 -2316.2729 921491.4634 -1295.5525 -2316.2729
ENERGY: 475 19674.2078 20371.7673 5712.9876 182.2512 -336604.2308 23142.3814 0.0000 0.0000 45070.2138 -222450.4217 163.9531 -267520.6355 -222039.4531 163.9531 -344.6449 -2232.2127 921491.4634 -344.6449 -2232.2127
ENERGY: 476 19235.7859 20282.0272 5715.7683 184.0125 -336100.0897 23115.8463 0.0000 0.0000 45106.0633 -222460.5862 164.0835 -267566.6495 -222053.6139 164.0835 -92.4049 -2183.0654 921491.4634 -92.4049 -2183.0654
ENERGY: 477 19704.7246 20145.9810 5718.4976 185.9230 -336101.8784 23114.2936 0.0000 0.0000 44812.3210 -222420.1376 163.0149 -267232.4586 -222044.8412 163.0149 -667.4946 -2171.8229 921491.4634 -667.4946 -2171.8229
ENERGY: 478 20493.4774 19974.7635 5721.0254 187.7262 -336537.4032 23131.2457 0.0000 0.0000 44627.0335 -222402.1316 162.3409 -267029.1651 -222047.4108 162.3409 -1807.1605 -2198.7957 921491.4634 -1807.1605 -2198.7957
ENERGY: 479 21125.3058 19793.3953 5723.3295 189.2099 -337215.5837 23156.6769 0.0000 0.0000 44802.1580 -222425.5084 162.9779 -267227.6664 -222050.5461 162.9779 -3089.8517 -2246.7919 921491.4634 -3089.8517 -2246.7919
TIMING: 480 CPU: 225.718, 0.458921/step Wall: 225.718, 0.458921/step, 0.00254956 hours remaining, 3224.039062 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 19623.1962 5725.3111 190.1900 -337854.6785 23181.5115 0.0000 0.0000 45051.6815 -222458.7550 163.8856 -267510.4366 -222064.6210 163.8856 -4077.7328 -2291.4893 921491.4634 -4077.7328 -2291.4893
ENERGY: 481 22092.4857 19510.0432 5727.0952 190.6351 -338199.2482 23196.7956 0.0000 0.0000 45041.3370 -222440.8563 163.8480 -267482.1933 -222052.5266 163.8480 -4466.2396 -2305.6734 921491.4634 -4466.2396 -2305.6734
ENERGY: 482 22186.3469 19466.6794 5728.4963 190.3598 -338044.5420 23192.7472 0.0000 0.0000 44865.8523 -222414.0601 163.2096 -267279.9124 -222051.4113 163.2096 -4059.3100 -2278.0616 921491.4634 -4059.3100 -2278.0616
ENERGY: 483 21553.1414 19511.5746 5729.5660 189.3227 -337426.2187 23165.8738 0.0000 0.0000 44861.8972 -222414.8430 163.1953 -267276.7403 -222048.7673 163.1953 -2964.1725 -2216.4118 921491.4634 -2964.1725 -2216.4118
ENERGY: 484 20460.8926 19631.1940 5730.2465 187.5455 -336590.8891 23126.1349 0.0000 0.0000 45003.6034 -222451.2722 163.7107 -267454.8756 -222059.8747 163.7107 -1565.2430 -2143.1855 921491.4634 -1565.2430 -2143.1855
ENERGY: 485 19688.7720 19800.2992 5730.5256 185.2458 -335902.5872 23092.8469 0.0000 0.0000 44955.5727 -222449.3251 163.5360 -267404.8978 -222045.9611 163.5360 -422.1574 -2086.8741 921491.4634 -422.1574 -2086.8741
ENERGY: 486 19602.5424 19954.8177 5729.7197 182.4662 -335612.3574 23080.3806 0.0000 0.0000 44645.9121 -222416.5186 162.4096 -267062.4307 -222044.6765 162.4096 87.3176 -2070.0988 921491.4634 87.3176 -2070.0988
ENERGY: 487 19881.0922 20072.0213 5727.4347 179.4360 -335846.4489 23091.0543 0.0000 0.0000 44503.3500 -222392.0604 161.8910 -266895.4104 -222045.2412 161.8910 -192.2350 -2106.8846 921491.4634 -192.2350 -2106.8846
ENERGY: 488 20125.2097 20156.1361 5723.5440 176.4338 -336552.5457 23118.8616 0.0000 0.0000 44827.0564 -222425.3040 163.0685 -267252.3604 -222057.1937 163.0685 -1145.7534 -2194.6681 921491.4634 -1145.7534 -2194.6681
ENERGY: 489 20526.8873 20236.4609 5718.5748 173.8639 -337540.4663 23156.7311 0.0000 0.0000 45266.1010 -222461.8472 164.6656 -267727.9482 -222045.6085 164.6656 -2511.2406 -2316.7068 921491.4634 -2511.2406 -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 20292.9023 5712.8912 171.8438 -338458.1372 23196.4879 0.0000 0.0000 45213.5634 -222459.6993 164.4745 -267673.2627 -222048.2207 164.4745 -3823.4041 -2437.4156 921491.4634 -3823.4041 -2437.4156
ENERGY: 491 22430.4644 20312.1362 5707.3795 170.5404 -338984.5806 23226.0939 0.0000 0.0000 44733.0094 -222404.9568 162.7264 -267137.9662 -222049.4638 162.7264 -4629.6937 -2524.6216 921491.4634 -4629.6937 -2524.6216
ENERGY: 492 22612.9550 20289.6812 5702.9944 170.0207 -338937.5829 23232.7208 0.0000 0.0000 44542.1956 -222387.0152 162.0323 -266929.2108 -222060.3862 162.0323 -4606.8528 -2557.4732 921491.4634 -4606.8528 -2557.4732
ENERGY: 493 21558.2190 20260.7375 5700.7779 170.3200 -338358.0645 23214.0540 0.0000 0.0000 45033.8233 -222420.1328 163.8207 -267453.9561 -222046.5902 163.8207 -3796.3822 -2540.0998 921491.4634 -3796.3822 -2540.0998
ENERGY: 494 20068.3367 20225.0261 5700.9805 171.2193 -337454.3844 23183.0799 0.0000 0.0000 45622.2477 -222483.4941 165.9612 -268105.7418 -222044.0869 165.9612 -2500.8994 -2482.1069 921491.4634 -2500.8994 -2482.1069
ENERGY: 495 19383.2462 20186.8300 5703.5926 172.5416 -336566.9892 23159.4630 0.0000 0.0000 45484.1232 -222477.1927 165.4587 -267961.3158 -222041.5565 165.4587 -1249.6837 -2407.3056 921491.4634 -1249.6837 -2407.3056
ENERGY: 496 19722.4831 20130.6470 5708.0350 174.0933 -335998.7158 23154.2641 0.0000 0.0000 44699.5271 -222409.6661 162.6046 -267109.1932 -222049.0671 162.6046 -478.8995 -2343.4750 921491.4634 -478.8995 -2343.4750
ENERGY: 497 20212.6664 20059.9174 5713.4613 175.7242 -335952.5044 23166.3551 0.0000 0.0000 44261.0289 -222363.3512 161.0095 -266624.3801 -222042.7501 161.0095 -421.0229 -2316.7927 921491.4634 -421.0229 -2316.7927
ENERGY: 498 20182.0162 19957.1213 5718.5597 177.2604 -336366.4935 23189.3591 0.0000 0.0000 44728.2534 -222413.9234 162.7091 -267142.1768 -222044.5221 162.7091 -993.4676 -2331.6471 921491.4634 -993.4676 -2331.6471
ENERGY: 499 20158.0678 19847.7307 5722.4090 178.6361 -337058.4827 23219.2411 0.0000 0.0000 45439.2641 -222493.1340 165.2956 -267932.3981 -222047.2063 165.2956 -2020.8685 -2376.3388 921491.4634 -2020.8685 -2376.3388
Info: Benchmark time: 4 CPUs 0.458421 s/step 5.3058 days/ns 3224.04 MB memory
TIMING: 500 CPU: 234.816, 0.454926/step Wall: 234.816, 0.454926/step, 0 hours remaining, 3224.039062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8939 19756.6583 5724.4523 179.8271 -337741.4195 23251.1016 0.0000 0.0000 45359.0772 -222495.4090 165.0039 -267854.4863 -222061.0909 165.0039 -3197.5166 -2425.4139 921491.4634 -3197.5166 -2425.4139
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, 3229.293 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.293 MB of memory in use
====================================================
WallClock: 241.696014 CPUTime: 241.696014 Memory: 3229.292969 MB
[Partition 0][Node 0] End of program
Application 88188503 resources: utime ~950s, stime ~19s, Rss ~126436, inblocks ~67012, outblocks ~72238
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins8744536254239364919.sh
+ scp BW_REMOTE_4:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_4:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_4:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/memory
Finished: SUCCESS
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