Skipping 712 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 ============== 54.2214
LDB: Largest compute 200 load 0.431477 is 1.2% of average load 36.866808
LDB: Average compute 0.051652 is 0.1% of average load 36.866808
LDB: Partitioning computes with target load 3.686681
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055724
LDB: ============== END OF LOAD BALANCING =============== 54.2235
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2243
Info: Initial time: 4 CPUs 0.473693 s/step 5.48255 days/ns 3221.59 MB memory
TIMING: 100 CPU: 48.34, 0.472655/step Wall: 48.34, 0.472655/step, 0.0525172 hours remaining, 3221.585938 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 ============== 63.6589
LDB: ============== END OF LOAD BALANCING =============== 63.6589
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.6594
TIMING: 120 CPU: 57.7747, 0.471737/step Wall: 57.7747, 0.471737/step, 0.0497944 hours remaining, 3221.789062 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 -333203.4342 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8376 -222213.1814 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.2011, 0.471317/step Wall: 67.2011, 0.471317/step, 0.0471317 hours remaining, 3221.941406 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 21015.8993 19956.3835 5767.3089 192.0924 -334899.3756 20845.5771 0.0000 0.0000 44606.5897 -222515.5245 162.2665 -267122.1142 -222153.2667 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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ENERGY: 158 21695.0846 19425.3238 5743.5667 171.3409 -332829.8101 20761.5805 0.0000 0.0000 42713.6821 -222319.2315 155.3806 -265032.9136 -222157.3220 155.3806 -715.5935 -2586.7969 921491.4634 -715.5935 -2586.7969
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TIMING: 160 CPU: 76.6193, 0.470912/step Wall: 76.6193, 0.470912/step, 0.044475 hours remaining, 3222.246094 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: 177 21863.3194 18664.1734 5738.9484 156.2659 -332371.2410 20981.6518 0.0000 0.0000 42714.2626 -222252.6195 155.3827 -264966.8821 -222125.5136 155.3827 -2870.6845 -2681.8089 921491.4634 -2870.6845 -2681.8089
ENERGY: 178 21917.7900 18733.9558 5737.6245 154.5770 -332975.2975 21015.2133 0.0000 0.0000 43101.1545 -222314.9824 156.7902 -265416.1370 -222126.1321 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 86.0278, 0.470423/step Wall: 86.0278, 0.470423/step, 0.0418154 hours remaining, 3222.246094 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 19471.4305 5678.7398 184.6336 -333156.1128 21076.9264 0.0000 0.0000 42449.0057 -222222.0801 154.4178 -264671.0858 -222130.9080 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 18800.3005 5711.3574 186.3640 -333385.4995 21161.1533 0.0000 0.0000 43911.2864 -222391.0318 159.7372 -266302.3182 -222090.4390 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.319
LDB: Largest compute 200 load 0.427817 is 1.2% of average load 36.683480
LDB: Average compute 0.051391 is 0.1% of average load 36.683480
LDB: TIME 101.321 LOAD: AVG 36.6835 MAX 37.6595 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.56 MB
LDB: TIME 101.323 LOAD: AVG 36.6835 MAX 37.509 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.56 MB
LDB: ============== END OF LOAD BALANCING =============== 101.325
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.328
Info: Initial time: 4 CPUs 0.470906 s/step 5.4503 days/ns 3223.54 MB memory
TIMING: 200 CPU: 95.4402, 0.470624/step Wall: 95.4402, 0.470624/step, 0.0392187 hours remaining, 3223.535156 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: 220 CPU: 104.863, 0.471116/step Wall: 104.863, 0.471116/step, 0.0366423 hours remaining, 3223.535156 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: 114.276, 0.47068/step Wall: 114.276, 0.47068/step, 0.0339935 hours remaining, 3223.535156 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 19853.7025 5716.8932 174.1558 -334213.1203 21705.0850 0.0000 0.0000 43600.4181 -222284.3177 158.6063 -265884.7358 -222067.4295 158.6063 -1173.7928 -2523.3912 921491.4634 -1173.7928 -2523.3912
ENERGY: 247 19868.5286 19979.6440 5712.7400 177.5412 -334802.1840 21719.8454 0.0000 0.0000 44912.1911 -222431.6936 163.3782 -267343.8847 -222068.1393 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4925 20164.4296 5713.8450 181.3144 -335623.1352 21746.4310 0.0000 0.0000 46185.9362 -222595.6865 168.0117 -268781.6228 -222090.3127 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: 256 20899.4409 18950.9578 5693.4518 195.6570 -332975.5971 21757.6847 0.0000 0.0000 43181.1614 -222297.2436 157.0812 -265478.4050 -222071.2738 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
ENERGY: 257 20029.5653 18878.1873 5681.1759 194.7976 -333481.0039 21780.2418 0.0000 0.0000 44488.5470 -222428.4889 161.8371 -266917.0359 -222060.1682 161.8371 -2035.5361 -2692.1442 921491.4634 -2035.5361 -2692.1442
ENERGY: 258 19453.5867 18882.0666 5673.2911 193.6684 -334373.1545 21817.5077 0.0000 0.0000 45796.2580 -222556.7760 166.5942 -268353.0340 -222062.0606 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 123.678, 0.470104/step Wall: 123.678, 0.470104/step, 0.0313403 hours remaining, 3223.839844 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 20140.5622 5703.8103 187.9445 -335614.9713 21924.4739 0.0000 0.0000 45349.7772 -222527.2804 164.9700 -267877.0575 -222051.1547 164.9700 -2647.8116 -2773.3903 921491.4634 -2647.8116 -2773.3903
ENERGY: 264 19385.2260 20436.4305 5710.6950 187.5052 -334855.9511 21907.7771 0.0000 0.0000 44751.4784 -222476.8388 162.7936 -267228.3172 -222069.1983 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
ENERGY: 265 19946.8415 20681.9925 5713.6241 187.4392 -334395.6631 21906.0162 0.0000 0.0000 43607.6375 -222352.1120 158.6326 -265959.7495 -222054.3371 158.6326 -2038.0572 -2683.6034 921491.4634 -2038.0572 -2683.6034
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ENERGY: 267 19648.0905 20691.2677 5707.0583 187.8501 -334831.4854 21930.8373 0.0000 0.0000 44220.2170 -222446.1645 160.8610 -266666.3815 -222055.6584 160.8610 -2435.4233 -2662.6783 921491.4634 -2435.4233 -2662.6783
ENERGY: 268 19962.9160 20375.7515 5700.1930 187.9286 -335513.7448 21959.1256 0.0000 0.0000 44823.5378 -222504.2922 163.0557 -267327.8301 -222075.9873 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -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 18896.0661 5692.8269 184.9335 -335921.4615 22015.0579 0.0000 0.0000 45607.7077 -222503.3109 165.9083 -268111.0186 -222081.1571 165.9083 -2551.9685 -2501.8805 921491.4634 -2551.9685 -2501.8805
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ENERGY: 277 19149.2971 19724.7160 5695.5210 182.9396 -333864.3453 21997.2387 0.0000 0.0000 44632.8112 -222481.8216 162.3619 -267114.6328 -222061.0987 162.3619 -2311.7544 -2498.0545 921491.4634 -2311.7544 -2498.0545
ENERGY: 278 20199.4576 19713.7760 5686.9122 183.6585 -334821.1003 22041.3359 0.0000 0.0000 44532.2540 -222463.7060 161.9961 -266995.9600 -222063.4130 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
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TIMING: 280 CPU: 133.074, 0.469803/step Wall: 133.074, 0.469803/step, 0.0287102 hours remaining, 3223.839844 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 19396.6308 20966.5621 5721.5031 185.8230 -334658.1146 22176.6863 0.0000 0.0000 43785.6882 -222425.2211 159.2803 -266210.9093 -222054.0581 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 ============== 148.371
LDB: Largest compute 200 load 0.517426 is 1.1% of average load 45.814550
LDB: Average compute 0.064173 is 0.1% of average load 45.814550
LDB: TIME 148.373 LOAD: AVG 45.8146 MAX 47.0436 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.04 MB
LDB: TIME 148.374 LOAD: AVG 45.8146 MAX 47.0436 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.04 MB
LDB: TIME 148.384 LOAD: AVG 45.8146 MAX 46.3346 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.04 MB
LDB: ============== END OF LOAD BALANCING =============== 148.385
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.386
Info: Initial time: 4 CPUs 0.470083 s/step 5.44078 days/ns 3224.04 MB memory
TIMING: 300 CPU: 142.464, 0.469473/step Wall: 142.464, 0.469473/step, 0.0260818 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: 151.673, 0.460477/step Wall: 151.673, 0.460477/step, 0.0230239 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: 160.873, 0.459962/step Wall: 160.873, 0.459962/step, 0.0204428 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: 170.07, 0.459849/step Wall: 170.07, 0.459849/step, 0.017883 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: 364 19323.8976 19612.6014 5699.8913 181.0103 -336175.2001 22790.5194 0.0000 0.0000 46034.3491 -222532.9310 167.4603 -268567.2801 -222068.5916 167.4603 -1420.0425 -2476.3756 921491.4634 -1420.0425 -2476.3756
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ENERGY: 368 20561.5936 19748.2120 5739.6691 179.8275 -335728.0876 22808.6655 0.0000 0.0000 44272.8408 -222417.2791 161.0524 -266690.1199 -222068.2910 161.0524 -2928.4883 -2487.3068 921491.4634 -2928.4883 -2487.3068
ENERGY: 369 20346.9677 19812.6207 5741.6370 179.5048 -336580.3312 22825.3362 0.0000 0.0000 45155.6310 -222518.6338 164.2638 -267674.2648 -222061.0999 164.2638 -3666.9888 -2542.4572 921491.4634 -3666.9888 -2542.4572
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 20251.1594 5706.5522 182.3248 -335763.5805 22794.3778 0.0000 0.0000 43848.2754 -222334.4302 159.5080 -266182.7057 -222041.4013 159.5080 -1819.5854 -2472.4984 921491.4634 -1819.5854 -2472.4984
ENERGY: 378 20473.8098 20495.6595 5711.4639 183.2952 -336584.2281 22821.5841 0.0000 0.0000 44474.7536 -222423.6621 161.7869 -266898.4156 -222044.3967 161.7869 -2972.9869 -2523.3497 921491.4634 -2972.9869 -2523.3497
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TIMING: 380 CPU: 179.258, 0.459427/step Wall: 179.258, 0.459427/step, 0.0153142 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: 384 19625.4114 19596.0353 5710.5349 179.0647 -336052.0488 22884.2538 0.0000 0.0000 45539.1829 -222517.5657 165.6590 -268056.7486 -222062.0924 165.6590 -569.2379 -2166.9355 921491.4634 -569.2379 -2166.9355
ENERGY: 385 19327.8179 19356.8912 5707.7752 177.4354 -335210.6401 22871.6148 0.0000 0.0000 45299.7168 -222469.3888 164.7879 -267769.1056 -222051.0992 164.7879 215.3516 -2064.3634 921491.4634 215.3516 -2064.3634
ENERGY: 386 19981.2270 19220.9465 5707.6638 175.9385 -334865.1817 22880.7962 0.0000 0.0000 44519.8583 -222378.7514 161.9510 -266898.6098 -222051.0436 161.9510 122.6672 -2011.2425 921491.4634 122.6672 -2011.2425
ENERGY: 387 20367.2857 19202.4845 5710.9354 174.6759 -335109.8724 22905.2748 0.0000 0.0000 44377.1812 -222372.0348 161.4320 -266749.2160 -222053.0048 161.4320 -738.9581 -2019.1686 921491.4634 -738.9581 -2019.1686
ENERGY: 388 20282.3985 19280.0168 5717.2935 173.7038 -335824.1518 22938.2905 0.0000 0.0000 44972.7757 -222459.6731 163.5986 -267432.4488 -222067.4817 163.5986 -2063.8549 -2076.2819 921491.4634 -2063.8549 -2076.2819
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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: 397 19906.7781 20200.7713 5721.4919 176.2273 -336102.8177 22990.0379 0.0000 0.0000 44712.8673 -222394.6440 162.6531 -267107.5113 -222042.6598 162.6531 -376.0860 -2327.2101 921491.4634 -376.0860 -2327.2101
ENERGY: 398 19692.8114 20133.3593 5716.9814 176.0456 -336812.3380 23014.0589 0.0000 0.0000 45592.7320 -222486.3495 165.8538 -268079.0815 -222045.7221 165.8538 -1710.2234 -2443.6964 921491.4634 -1710.2234 -2443.6964
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LDB: ============= START OF LOAD BALANCING ============== 194.37
LDB: Largest compute 230 load 0.527937 is 1.2% of average load 45.738279
LDB: Average compute 0.064057 is 0.1% of average load 45.738279
LDB: TIME 194.372 LOAD: AVG 45.7383 MAX 45.9835 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.04 MB
LDB: TIME 194.372 LOAD: AVG 45.7383 MAX 45.9835 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.04 MB
LDB: TIME 194.372 LOAD: AVG 45.7383 MAX 45.9835 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.04 MB
LDB: ============== END OF LOAD BALANCING =============== 194.373
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.374
Info: Benchmark time: 4 CPUs 0.459773 s/step 5.32145 days/ns 3224.04 MB memory
TIMING: 400 CPU: 188.445, 0.459349/step Wall: 188.445, 0.459349/step, 0.0127597 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 -338107.6290 23109.6382 0.0000 0.0000 44436.8097 -222391.4889 161.6489 -266828.2987 -222049.2225 161.6489 -4939.3796 -2681.7024 921491.4634 -4939.3796 -2681.7024
ENERGY: 403 20784.9697 19778.4826 5715.7218 174.2695 -337239.9787 23077.8406 0.0000 0.0000 45225.5962 -222483.0983 164.5183 -267708.6945 -222046.6853 164.5183 -3613.5979 -2605.7427 921491.4634 -3613.5979 -2605.7427
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ENERGY: 408 19735.8469 19387.6645 5692.2152 187.5226 -335902.8223 23017.8176 0.0000 0.0000 45394.4122 -222487.3432 165.1324 -267881.7555 -222063.5312 165.1324 -920.8280 -2294.1556 921491.4634 -920.8280 -2294.1556
ENERGY: 409 20350.1186 19376.4609 5688.4775 191.1593 -336896.6852 23057.9924 0.0000 0.0000 45733.6061 -222498.8704 166.3663 -268232.4765 -222051.6705 166.3663 -2367.4919 -2346.9325 921491.4634 -2367.4919 -2346.9325
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5209 19470.1805 5687.6650 194.4179 -337813.1853 23106.2031 0.0000 0.0000 45077.0719 -222427.1261 163.9780 -267504.1980 -222054.6428 163.9780 -3838.6212 -2402.0240 921491.4634 -3838.6212 -2402.0240
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ENERGY: 412 22535.8953 19878.8223 5694.3234 198.8205 -338356.4983 23146.2937 0.0000 0.0000 44499.5088 -222402.8342 161.8770 -266902.3430 -222068.4598 161.8770 -4717.2141 -2436.3028 921491.4634 -4717.2141 -2436.3028
ENERGY: 413 21130.1420 20138.5251 5699.9334 199.7191 -337872.5327 23125.1116 0.0000 0.0000 45113.2145 -222465.8869 164.1095 -267579.1014 -222055.3453 164.1095 -3850.6272 -2398.9549 921491.4634 -3850.6272 -2398.9549
ENERGY: 414 19987.3858 20381.5509 5705.1135 199.5118 -337122.7804 23094.4557 0.0000 0.0000 45271.6530 -222483.1097 164.6858 -267754.7627 -222052.1623 164.6858 -2501.3243 -2333.9464 921491.4634 -2501.3243 -2333.9464
ENERGY: 415 19745.2665 20572.1261 5708.7452 198.1487 -336456.1976 23071.1990 0.0000 0.0000 44733.2277 -222427.4844 162.7272 -267160.7121 -222049.0346 162.7272 -1174.6453 -2266.5616 921491.4634 -1174.6453 -2266.5616
ENERGY: 416 19942.3167 20661.9897 5710.0857 195.6953 -336157.5863 23063.1713 0.0000 0.0000 44200.2853 -222384.0422 160.7885 -266584.3275 -222052.9645 160.7885 -282.7613 -2224.6898 921491.4634 -282.7613 -2224.6898
ENERGY: 417 20031.3748 20631.3210 5709.0494 192.4696 -336373.1074 23072.1096 0.0000 0.0000 44338.4621 -222398.3210 161.2911 -266736.7831 -222044.6994 161.2911 -112.4552 -2227.1700 921491.4634 -112.4552 -2227.1700
ENERGY: 418 20154.6646 20457.0909 5705.5848 188.6536 -336970.7865 23098.6723 0.0000 0.0000 44915.1424 -222450.9779 163.3889 -267366.1203 -222046.7094 163.3889 -671.8545 -2269.9922 921491.4634 -671.8545 -2269.9922
ENERGY: 419 20790.7629 20185.5522 5700.4811 184.6054 -337717.8753 23139.8020 0.0000 0.0000 45250.3103 -222466.3614 164.6082 -267716.6717 -222049.5951 164.6082 -1783.9422 -2336.6466 921491.4634 -1783.9422 -2336.6466
TIMING: 420 CPU: 197.606, 0.458059/step Wall: 197.606, 0.458059/step, 0.0101791 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: 422 22275.7615 19449.5348 5688.9977 174.4058 -338225.0310 23208.5471 0.0000 0.0000 45004.7083 -222423.0758 163.7148 -267427.7841 -222052.8450 163.7148 -4363.1156 -2465.6375 921491.4634 -4363.1156 -2465.6375
ENERGY: 423 21418.8987 19324.4273 5689.6737 172.2145 -337416.8951 23180.6035 0.0000 0.0000 45183.9712 -222447.1063 164.3669 -267631.0775 -222051.5233 164.3669 -3955.8311 -2434.9307 921491.4634 -3955.8311 -2434.9307
ENERGY: 424 20531.3309 19270.7816 5692.6543 170.6563 -336406.2760 23140.4641 0.0000 0.0000 45151.0457 -222449.3432 164.2471 -267600.3889 -222060.4128 164.2471 -3030.1612 -2370.2035 921491.4634 -3030.1612 -2370.2035
ENERGY: 425 19942.3358 19314.5609 5697.3263 169.6877 -335607.5201 23103.7915 0.0000 0.0000 44956.0481 -222423.7698 163.5377 -267379.8180 -222050.7964 163.5377 -1980.9655 -2297.0092 921491.4634 -1980.9655 -2297.0092
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ENERGY: 427 19598.5314 19595.2899 5707.1504 168.7509 -335498.4314 23074.5001 0.0000 0.0000 44915.2776 -222438.9311 163.3894 -267354.2087 -222048.7339 163.3894 -741.9009 -2207.6357 921491.4634 -741.9009 -2207.6357
ENERGY: 428 20140.4226 19760.4172 5710.4629 168.5259 -336199.9850 23087.7671 0.0000 0.0000 44884.2596 -222448.1298 163.2766 -267332.3894 -222058.0551 163.2766 -935.5732 -2206.9587 921491.4634 -935.5732 -2206.9587
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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 20024.3740 5712.1700 168.1897 -338096.9205 23149.4487 0.0000 0.0000 44626.3102 -222402.4408 162.3383 -267028.7510 -222047.3916 162.3383 -2472.2459 -2268.0468 921491.4634 -2472.2459 -2268.0468
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ENERGY: 432 21768.3705 20188.6727 5710.3547 168.1086 -338651.2105 23176.0840 0.0000 0.0000 45177.9911 -222461.6288 164.3451 -267639.6199 -222065.9061 164.3451 -3350.2748 -2296.1501 921491.4634 -3350.2748 -2296.1501
ENERGY: 433 21200.9074 20275.9666 5710.3763 168.4633 -338164.0642 23162.2906 0.0000 0.0000 45192.9286 -222453.1314 164.3995 -267646.0599 -222052.5985 164.3995 -3187.3739 -2272.1280 921491.4634 -3187.3739 -2272.1280
ENERGY: 434 20730.3412 20338.1502 5711.6061 169.3247 -337394.2708 23140.7731 0.0000 0.0000 44883.1000 -222420.9754 163.2724 -267304.0755 -222051.1465 163.2724 -2694.3113 -2227.7888 921491.4634 -2694.3113 -2227.7888
ENERGY: 435 20235.2199 20362.4016 5714.0003 170.8455 -336680.6558 23123.4094 0.0000 0.0000 44675.9843 -222398.7947 162.5190 -267074.7790 -222049.5891 162.5190 -2061.3585 -2179.8954 921491.4634 -2061.3585 -2179.8954
ENERGY: 436 19670.9240 20349.9982 5717.2346 173.0864 -336303.8813 23119.9075 0.0000 0.0000 44847.0988 -222425.6318 163.1414 -267272.7305 -222059.6960 163.1414 -1520.6598 -2145.1618 921491.4634 -1520.6598 -2145.1618
ENERGY: 437 19434.5514 20329.5092 5720.9894 175.9827 -336411.9785 23136.3866 0.0000 0.0000 45159.2690 -222455.2902 164.2770 -267614.5592 -222050.7504 164.2770 -1319.1167 -2134.4849 921491.4634 -1319.1167 -2134.4849
ENERGY: 438 19935.1530 20278.6095 5724.6884 179.3848 -336899.4578 23173.5518 0.0000 0.0000 45148.1327 -222459.9375 164.2365 -267608.0702 -222051.5669 164.2365 -1493.0940 -2145.0882 921491.4634 -1493.0940 -2145.0882
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TIMING: 440 CPU: 206.77, 0.458202/step Wall: 206.77, 0.458202/step, 0.0076367 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 22071.5683 20036.2372 5729.7527 186.7201 -338123.1809 23276.2486 0.0000 0.0000 44417.5462 -222405.1078 161.5788 -266822.6539 -222059.4772 161.5788 -2408.4613 -2197.9672 921491.4634 -2408.4613 -2197.9672
ENERGY: 441 22355.5487 19860.0410 5730.3488 190.1145 -338361.1719 23313.2045 0.0000 0.0000 44502.6965 -222409.2178 161.8886 -266911.9143 -222050.0859 161.8886 -2716.1029 -2221.5314 921491.4634 -2716.1029 -2221.5314
ENERGY: 442 21853.6121 19664.5351 5729.4854 192.9411 -338090.1537 23327.1569 0.0000 0.0000 44880.6319 -222441.7912 163.2634 -267322.4231 -222049.7754 163.2634 -2710.5579 -2229.0696 921491.4634 -2710.5579 -2229.0696
ENERGY: 443 21064.3318 19487.0724 5727.6164 194.9329 -337369.3155 23320.0159 0.0000 0.0000 45118.1106 -222457.2353 164.1273 -267575.3459 -222048.5995 164.1273 -2448.1651 -2220.3531 921491.4634 -2448.1651 -2220.3531
ENERGY: 444 20449.3364 19357.2691 5725.4095 195.8735 -336464.1929 23301.5278 0.0000 0.0000 44987.7177 -222447.0590 163.6530 -267434.7767 -222057.9799 163.6530 -2090.2102 -2206.4401 921491.4634 -2090.2102 -2206.4401
ENERGY: 445 20125.5607 19307.2518 5723.6513 195.6942 -335759.3920 23283.8140 0.0000 0.0000 44708.7156 -222414.7043 162.6380 -267123.4199 -222046.5430 162.6380 -1846.9627 -2201.6926 921491.4634 -1846.9627 -2201.6926
ENERGY: 446 19947.6803 19324.9006 5722.5430 194.3235 -335494.5713 23276.0453 0.0000 0.0000 44620.2946 -222408.7841 162.3164 -267029.0787 -222046.1622 162.3164 -1800.7517 -2216.7294 921491.4634 -1800.7517 -2216.7294
ENERGY: 447 19914.2847 19416.0210 5722.2107 191.8641 -335769.4404 23282.7460 0.0000 0.0000 44816.5088 -222425.8052 163.0301 -267242.3139 -222046.8345 163.0301 -1993.3110 -2253.0603 921491.4634 -1993.3110 -2253.0603
ENERGY: 448 20187.5920 19583.6800 5722.5764 188.5554 -336503.1801 23303.8906 0.0000 0.0000 45065.6673 -222451.2183 163.9365 -267516.8857 -222059.3479 163.9365 -2372.1875 -2303.7897 921491.4634 -2372.1875 -2303.7897
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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 20108.1300 5724.4776 181.0897 -338419.3250 23364.6244 0.0000 0.0000 44854.3096 -222432.2085 163.1677 -267286.5180 -222048.7859 163.1677 -3116.6755 -2394.3895 921491.4634 -3116.6755 -2394.3895
ENERGY: 451 22355.5902 20357.7255 5724.7144 177.6517 -338952.0909 23381.8008 0.0000 0.0000 44542.6985 -222411.9098 162.0341 -266954.6083 -222048.8244 162.0341 -3074.2533 -2405.7797 921491.4634 -3074.2533 -2405.7797
ENERGY: 452 22246.2016 20536.0134 5723.8953 174.8859 -338927.1543 23378.0945 0.0000 0.0000 44452.9194 -222415.1442 161.7075 -266868.0636 -222059.6373 161.7075 -2659.9609 -2384.7569 921491.4634 -2659.9609 -2384.7569
ENERGY: 453 21399.8728 20641.1310 5722.2878 173.1350 -338392.7939 23354.5908 0.0000 0.0000 44683.7032 -222418.0733 162.5470 -267101.7764 -222043.5374 162.5470 -2048.3342 -2342.4669 921491.4634 -2048.3342 -2342.4669
ENERGY: 454 20248.3381 20654.1373 5720.2217 172.3637 -337567.1420 23320.6902 0.0000 0.0000 45008.1465 -222443.2444 163.7273 -267451.3909 -222041.8394 163.7273 -1453.4582 -2293.1451 921491.4634 -1453.4582 -2293.1451
ENERGY: 455 19486.7906 20584.7119 5718.4844 172.5169 -336790.6457 23290.4024 0.0000 0.0000 45086.5789 -222451.1606 164.0126 -267537.7395 -222040.8573 164.0126 -1151.8826 -2255.8573 921491.4634 -1151.8826 -2255.8573
ENERGY: 456 19493.3721 20440.6799 5717.7556 173.4248 -336350.1076 23274.9632 0.0000 0.0000 44811.4726 -222438.4395 163.0118 -267249.9121 -222055.3486 163.0118 -1305.5004 -2245.5823 921491.4634 -1305.5004 -2245.5823
ENERGY: 457 20047.4928 20251.9433 5718.5580 174.9241 -336395.8164 23277.8275 0.0000 0.0000 44521.8704 -222403.2002 161.9583 -266925.0706 -222049.4132 161.9583 -1906.4163 -2263.5013 921491.4634 -1906.4163 -2263.5013
ENERGY: 458 20585.8434 20019.2722 5720.7061 176.6081 -336835.0958 23294.7173 0.0000 0.0000 44632.7888 -222405.1599 162.3618 -267037.9487 -222051.2822 162.3618 -2684.6986 -2301.0427 921491.4634 -2684.6986 -2301.0427
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TIMING: 460 CPU: 215.936, 0.458271/step Wall: 215.936, 0.458271/step, 0.0050919 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: 460 21262.6136 19597.9064 5728.0971 179.4910 -338014.3768 23341.8001 0.0000 0.0000 45423.8566 -222480.6119 165.2395 -267904.4686 -222064.6839 165.2395 -3669.8204 -2365.2414 921491.4634 -3669.8204 -2365.2414
ENERGY: 461 21862.8761 19507.1076 5732.5752 180.4333 -338251.6217 23355.3935 0.0000 0.0000 45154.6138 -222458.6222 164.2601 -267613.2360 -222058.0510 164.2601 -3556.1669 -2361.1801 921491.4634 -3556.1669 -2361.1801
ENERGY: 462 22264.2256 19487.8109 5736.4822 180.9531 -337988.7171 23351.1085 0.0000 0.0000 44559.9291 -222408.2077 162.0968 -266968.1368 -222056.7217 162.0968 -2954.8204 -2323.4253 921491.4634 -2954.8204 -2323.4253
ENERGY: 463 21821.1792 19513.9015 5738.9361 181.1160 -337284.1029 23326.9476 0.0000 0.0000 44313.4571 -222388.5655 161.2002 -266702.0226 -222054.6245 161.2002 -2012.4428 -2264.0780 921491.4634 -2012.4428 -2264.0780
ENERGY: 464 20535.2459 19559.9271 5739.2518 181.0096 -336389.3841 23291.1940 0.0000 0.0000 44654.0269 -222428.7287 162.4391 -267082.7556 -222058.5732 162.4391 -1050.9229 -2205.5270 921491.4634 -1050.9229 -2205.5270
ENERGY: 465 19322.7826 19631.8853 5737.2899 180.7155 -335701.1536 23259.7390 0.0000 0.0000 45094.5691 -222474.1722 164.0416 -267568.7413 -222052.9391 164.0416 -512.3347 -2174.4010 921491.4634 -512.3347 -2174.4010
ENERGY: 466 19088.4510 19708.3581 5733.2107 180.2808 -335443.7728 23245.0602 0.0000 0.0000 45020.7910 -222467.6209 163.7733 -267488.4120 -222052.9788 163.7733 -630.3314 -2182.6712 921491.4634 -630.3314 -2182.6712
ENERGY: 467 19841.8070 19783.1743 5727.6704 179.7757 -335721.0954 23249.4528 0.0000 0.0000 44523.6666 -222415.5485 161.9649 -266939.2152 -222054.3497 161.9649 -1393.6030 -2232.5925 921491.4634 -1393.6030 -2232.5925
ENERGY: 468 20761.8482 19845.4944 5721.5089 179.2779 -336451.5666 23265.8124 0.0000 0.0000 44291.6586 -222385.9662 161.1209 -266677.6248 -222056.3590 161.1209 -2508.6714 -2314.1341 921491.4634 -2508.6714 -2314.1341
ENERGY: 469 21236.3015 19910.2024 5715.6824 178.8504 -337458.3202 23284.3960 0.0000 0.0000 44720.3204 -222412.5671 162.6802 -267132.8875 -222046.0749 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 19972.8937 5710.9491 178.5947 -338383.2509 23297.0672 0.0000 0.0000 45346.4576 -222466.1155 164.9579 -267812.5732 -222047.6088 164.9579 -4259.6997 -2477.6832 921491.4634 -4259.6997 -2477.6832
ENERGY: 471 21732.8677 20054.6837 5707.9626 178.5890 -338913.2454 23297.5084 0.0000 0.0000 45471.3369 -222470.2970 165.4122 -267941.6338 -222047.5358 165.4122 -4290.5685 -2504.3176 921491.4634 -4290.5685 -2504.3176
ENERGY: 472 22081.2361 20161.5551 5707.0091 178.9047 -338870.6772 23279.4491 0.0000 0.0000 45028.5300 -222433.9931 163.8014 -267462.5230 -222059.5059 163.8014 -3659.7362 -2479.9185 921491.4634 -3659.7362 -2479.9185
ENERGY: 473 21866.1362 20289.3424 5707.9843 179.6165 -338307.7196 23240.7364 0.0000 0.0000 44634.5178 -222389.3861 162.3681 -267023.9039 -222043.8541 162.3681 -2556.3617 -2408.1658 921491.4634 -2556.3617 -2408.1658
ENERGY: 474 20842.9703 20372.0983 5710.2160 180.7467 -337438.4557 23189.2349 0.0000 0.0000 44733.2313 -222409.9583 162.7272 -267143.1896 -222041.2621 162.7272 -1295.5526 -2316.2729 921491.4634 -1295.5526 -2316.2729
ENERGY: 475 19674.2079 20371.7670 5712.9876 182.2512 -336604.2318 23142.3819 0.0000 0.0000 45070.2144 -222450.4218 163.9531 -267520.6362 -222039.4532 163.9531 -344.6449 -2232.2126 921491.4634 -344.6449 -2232.2126
ENERGY: 476 19235.7862 20282.0271 5715.7683 184.0125 -336100.0907 23115.8468 0.0000 0.0000 45106.0636 -222460.5862 164.0835 -267566.6498 -222053.6138 164.0835 -92.4049 -2183.0652 921491.4634 -92.4049 -2183.0652
ENERGY: 477 19704.7251 20145.9811 5718.4976 185.9230 -336101.8792 23114.2941 0.0000 0.0000 44812.3208 -222420.1375 163.0149 -267232.4583 -222044.8412 163.0149 -667.4945 -2171.8228 921491.4634 -667.4945 -2171.8228
ENERGY: 478 20493.4776 19974.7638 5721.0254 187.7262 -336537.4038 23131.2462 0.0000 0.0000 44627.0331 -222402.1315 162.3409 -267029.1646 -222047.4108 162.3409 -1807.1603 -2198.7955 921491.4634 -1807.1603 -2198.7955
ENERGY: 479 21125.3055 19793.3957 5723.3295 189.2099 -337215.5839 23156.6774 0.0000 0.0000 44802.1576 -222425.5084 162.9779 -267227.6660 -222050.5461 162.9779 -3089.8515 -2246.7917 921491.4634 -3089.8515 -2246.7917
TIMING: 480 CPU: 225.102, 0.458332/step Wall: 225.102, 0.458332/step, 0.00254629 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 21624.0324 19623.1966 5725.3111 190.1901 -337854.6786 23181.5120 0.0000 0.0000 45051.6812 -222458.7552 163.8856 -267510.4364 -222064.6211 163.8856 -4077.7326 -2291.4891 921491.4634 -4077.7326 -2291.4891
ENERGY: 481 22092.4852 19510.0434 5727.0952 190.6351 -338199.2481 23196.7961 0.0000 0.0000 45041.3365 -222440.8565 163.8480 -267482.1930 -222052.5267 163.8480 -4466.2393 -2305.6732 921491.4634 -4466.2393 -2305.6732
ENERGY: 482 22186.3466 19466.6795 5728.4964 190.3598 -338044.5418 23192.7476 0.0000 0.0000 44865.8517 -222414.0602 163.2096 -267279.9119 -222051.4114 163.2096 -4059.3097 -2278.0615 921491.4634 -4059.3097 -2278.0615
ENERGY: 483 21553.1412 19511.5746 5729.5660 189.3227 -337426.2185 23165.8742 0.0000 0.0000 44861.8968 -222414.8431 163.1953 -267276.7399 -222048.7674 163.1953 -2964.1721 -2216.4116 921491.4634 -2964.1721 -2216.4116
ENERGY: 484 20460.8923 19631.1940 5730.2465 187.5455 -336590.8882 23126.1353 0.0000 0.0000 45003.6031 -222451.2715 163.7107 -267454.8746 -222059.8740 163.7107 -1565.2423 -2143.1848 921491.4634 -1565.2423 -2143.1848
ENERGY: 485 19688.7719 19800.2993 5730.5256 185.2458 -335902.5864 23092.8471 0.0000 0.0000 44955.5724 -222449.3244 163.5360 -267404.8968 -222045.9604 163.5360 -422.1568 -2086.8735 921491.4634 -422.1568 -2086.8735
ENERGY: 486 19602.5427 19954.8179 5729.7198 182.4662 -335612.3566 23080.3807 0.0000 0.0000 44645.9114 -222416.5180 162.4096 -267062.4294 -222044.6759 162.4096 87.3181 -2070.0981 921491.4634 87.3181 -2070.0981
ENERGY: 487 19881.0925 20072.0216 5727.4348 179.4360 -335846.4480 23091.0543 0.0000 0.0000 44503.3490 -222392.0597 161.8910 -266895.4087 -222045.2405 161.8910 -192.2346 -2106.8840 921491.4634 -192.2346 -2106.8840
ENERGY: 488 20125.2097 20156.1365 5723.5441 176.4338 -336552.5453 23118.8615 0.0000 0.0000 44827.0555 -222425.3042 163.0685 -267252.3597 -222057.1940 163.0685 -1145.7535 -2194.6680 921491.4634 -1145.7535 -2194.6680
ENERGY: 489 20526.8869 20236.4612 5718.5749 173.8639 -337540.4655 23156.7308 0.0000 0.0000 45266.1005 -222461.8474 164.6656 -267727.9479 -222045.6087 164.6656 -2511.2405 -2316.7067 921491.4634 -2511.2405 -2316.7067
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7487 20292.9024 5712.8912 171.8438 -338458.1360 23196.4875 0.0000 0.0000 45213.5631 -222459.6995 164.4745 -267673.2625 -222048.2209 164.4745 -3823.4039 -2437.4156 921491.4634 -3823.4039 -2437.4156
ENERGY: 491 22430.4638 20312.1361 5707.3795 170.5404 -338984.5793 23226.0933 0.0000 0.0000 44733.0091 -222404.9569 162.7264 -267137.9661 -222049.4639 162.7264 -4629.6935 -2524.6216 921491.4634 -4629.6935 -2524.6216
ENERGY: 492 22612.9546 20289.6810 5702.9944 170.0208 -338937.5814 23232.7201 0.0000 0.0000 44542.1954 -222387.0151 162.0323 -266929.2105 -222060.3861 162.0323 -4606.8526 -2557.4731 921491.4634 -4606.8526 -2557.4731
ENERGY: 493 21558.2186 20260.7373 5700.7779 170.3200 -338358.0632 23214.0532 0.0000 0.0000 45033.8235 -222420.1326 163.8207 -267453.9562 -222046.5901 163.8207 -3796.3820 -2540.0998 921491.4634 -3796.3820 -2540.0998
ENERGY: 494 20068.3364 20225.0260 5700.9806 171.2193 -337454.3834 23183.0790 0.0000 0.0000 45622.2482 -222483.4940 165.9612 -268105.7422 -222044.0868 165.9612 -2500.8994 -2482.1070 921491.4634 -2500.8994 -2482.1070
ENERGY: 495 19383.2461 20186.8301 5703.5926 172.5416 -336566.9886 23159.4619 0.0000 0.0000 45484.1238 -222477.1926 165.4587 -267961.3163 -222041.5564 165.4587 -1249.6839 -2407.3058 921491.4634 -1249.6839 -2407.3058
ENERGY: 496 19722.4834 20130.6474 5708.0350 174.0933 -335998.7156 23154.2629 0.0000 0.0000 44699.5275 -222409.6660 162.6046 -267109.1935 -222049.0670 162.6046 -478.9000 -2343.4753 921491.4634 -478.9000 -2343.4753
ENERGY: 497 20212.6670 20059.9179 5713.4613 175.7242 -335952.5043 23166.3539 0.0000 0.0000 44261.0292 -222363.3510 161.0095 -266624.3802 -222042.7500 161.0095 -421.0235 -2316.7930 921491.4634 -421.0235 -2316.7930
ENERGY: 498 20182.0165 19957.1218 5718.5596 177.2604 -336366.4935 23189.3579 0.0000 0.0000 44728.2540 -222413.9233 162.7091 -267142.1772 -222044.5219 162.7091 -993.4682 -2331.6475 921491.4634 -993.4682 -2331.6475
ENERGY: 499 20158.0677 19847.7311 5722.4089 178.6361 -337058.4826 23219.2397 0.0000 0.0000 45439.2651 -222493.1339 165.2956 -267932.3990 -222047.2062 165.2956 -2020.8690 -2376.3393 921491.4634 -2020.8690 -2376.3393
Info: Benchmark time: 4 CPUs 0.457512 s/step 5.29528 days/ns 3224.04 MB memory
TIMING: 500 CPU: 234.196, 0.454706/step Wall: 234.196, 0.454706/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 20974.8935 19756.6586 5724.4523 179.8271 -337741.4196 23251.1002 0.0000 0.0000 45359.0786 -222495.4092 165.0039 -267854.4879 -222061.0910 165.0039 -3197.5171 -2425.4145 921491.4634 -3197.5171 -2425.4145
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, 3229.129 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.129 MB of memory in use
====================================================
WallClock: 241.007370 CPUTime: 241.007370 Memory: 3229.128906 MB
[Partition 0][Node 0] End of program
Application 102596567 resources: utime ~948s, stime ~18s, Rss ~126440, inblocks ~67176, outblocks ~72240
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins7303770828110615662.sh
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/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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