Skipping 716 KB..
Full Log
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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 ============== 54.3042
LDB: Largest compute 200 load 0.435128 is 1.2% of average load 36.798519
LDB: Average compute 0.051544 is 0.1% of average load 36.798519
LDB: Partitioning computes with target load 3.679852
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055186
LDB: ============== END OF LOAD BALANCING =============== 54.3062
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.307
Info: Initial time: 4 CPUs 0.473983 s/step 5.48591 days/ns 3221.68 MB memory
TIMING: 100 CPU: 48.3712, 0.472972/step Wall: 48.3712, 0.472972/step, 0.0525524 hours remaining, 3221.675781 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 ============== 63.7491
LDB: ============== END OF LOAD BALANCING =============== 63.7491
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7496
TIMING: 120 CPU: 57.8127, 0.472072/step Wall: 57.8127, 0.472072/step, 0.0498299 hours remaining, 3221.832031 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 19195.4801 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9638 -222340.8739 155.6399 -265125.8377 -222213.1815 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.2476, 0.471746/step Wall: 67.2476, 0.471746/step, 0.0471746 hours remaining, 3222.031250 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 -334899.3757 20845.5771 0.0000 0.0000 44606.5898 -222515.5247 162.2665 -267122.1145 -222153.2668 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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TIMING: 160 CPU: 76.6717, 0.471206/step Wall: 76.6717, 0.471206/step, 0.0445028 hours remaining, 3222.320312 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 21917.7900 18733.9558 5737.6245 154.5770 -332975.2975 21015.2133 0.0000 0.0000 43101.1544 -222314.9825 156.7902 -265416.1369 -222126.1322 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 86.0851, 0.470672/step Wall: 86.0851, 0.470672/step, 0.0418375 hours remaining, 3222.320312 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 22073.2968 19471.4304 5678.7398 184.6336 -333156.1129 21076.9265 0.0000 0.0000 42449.0056 -222222.0802 154.4178 -264671.0858 -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 21224.0060 18800.3006 5711.3574 186.3640 -333385.4999 21161.1534 0.0000 0.0000 43911.2862 -222391.0323 159.7372 -266302.3185 -222090.4395 159.7372 -4381.6809 -2646.7680 921491.4634 -4381.6809 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.438
LDB: Largest compute 200 load 0.429732 is 1.2% of average load 36.617225
LDB: Average compute 0.051290 is 0.1% of average load 36.617225
LDB: TIME 101.44 LOAD: AVG 36.6172 MAX 37.6883 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.7 MB
LDB: TIME 101.442 LOAD: AVG 36.6172 MAX 37.5585 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.7 MB
LDB: ============== END OF LOAD BALANCING =============== 101.444
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.447
Info: Initial time: 4 CPUs 0.471231 s/step 5.45406 days/ns 3223.93 MB memory
TIMING: 200 CPU: 95.5041, 0.47095/step Wall: 95.5041, 0.47095/step, 0.0392458 hours remaining, 3223.933594 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 21385.1734 20194.2569 5705.3139 178.4614 -336615.7770 21385.1096 0.0000 0.0000 45251.4335 -222516.0283 164.6123 -267767.4618 -222108.2018 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
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TIMING: 220 CPU: 104.92, 0.470774/step Wall: 104.92, 0.470774/step, 0.0366158 hours remaining, 3223.933594 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: 114.327, 0.470381/step Wall: 114.327, 0.470381/step, 0.033972 hours remaining, 3223.933594 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: 242 22110.7716 20111.8208 5758.5348 169.0441 -335904.8196 21831.0567 0.0000 0.0000 43526.8720 -222396.7197 158.3388 -265923.5916 -222063.5737 158.3388 -4623.1688 -2633.0913 921491.4634 -4623.1688 -2633.0913
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ENERGY: 246 20878.5482 19853.7024 5716.8932 174.1558 -334213.1205 21705.0850 0.0000 0.0000 43600.4180 -222284.3179 158.6063 -265884.7359 -222067.4296 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5287 19979.6440 5712.7400 177.5412 -334802.1842 21719.8454 0.0000 0.0000 44912.1911 -222431.6938 163.3782 -267343.8848 -222068.1395 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4925 20164.4296 5713.8450 181.3144 -335623.1352 21746.4310 0.0000 0.0000 46185.9361 -222595.6866 168.0117 -268781.6227 -222090.3128 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 256 20899.4410 18950.9578 5693.4518 195.6570 -332975.5972 21757.6846 0.0000 0.0000 43181.1610 -222297.2440 157.0812 -265478.4050 -222071.2742 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5653 18878.1873 5681.1759 194.7976 -333481.0039 21780.2418 0.0000 0.0000 44488.5467 -222428.4893 161.8371 -266917.0360 -222060.1686 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5867 18882.0666 5673.2911 193.6684 -334373.1545 21817.5076 0.0000 0.0000 45796.2577 -222556.7764 166.5942 -268353.0341 -222062.0610 166.5942 -2331.2329 -2737.1920 921491.4634 -2331.2329 -2737.1920
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TIMING: 260 CPU: 123.726, 0.469941/step Wall: 123.726, 0.469941/step, 0.0313294 hours remaining, 3224.242188 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 264 19385.2259 20436.4305 5710.6950 187.5052 -334855.9510 21907.7771 0.0000 0.0000 44751.4783 -222476.8390 162.7936 -267228.3173 -222069.1985 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
ENERGY: 265 19946.8414 20681.9926 5713.6241 187.4392 -334395.6631 21906.0162 0.0000 0.0000 43607.6373 -222352.1122 158.6326 -265959.7495 -222054.3373 158.6326 -2038.0573 -2683.6035 921491.4634 -2038.0573 -2683.6035
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ENERGY: 267 19648.0906 20691.2678 5707.0583 187.8501 -334831.4856 21930.8373 0.0000 0.0000 44220.2168 -222446.1647 160.8610 -266666.3815 -222055.6586 160.8610 -2435.4236 -2662.6783 921491.4634 -2435.4236 -2662.6783
ENERGY: 268 19962.9161 20375.7515 5700.1930 187.9286 -335513.7450 21959.1256 0.0000 0.0000 44823.5377 -222504.2926 163.0557 -267327.8303 -222075.9877 163.0557 -2903.2126 -2658.6181 921491.4634 -2903.2126 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 276 19401.8502 19594.7508 5701.2547 182.4904 -333292.1283 21971.0408 0.0000 0.0000 44028.5273 -222412.2141 160.1637 -266440.7414 -222072.9396 160.1637 -1580.1301 -2417.6041 921491.4634 -1580.1301 -2417.6041
ENERGY: 277 19149.2972 19724.7160 5695.5210 182.9396 -333864.3455 21997.2386 0.0000 0.0000 44632.8113 -222481.8219 162.3619 -267114.6331 -222061.0989 162.3619 -2311.7546 -2498.0545 921491.4634 -2311.7546 -2498.0545
ENERGY: 278 20199.4577 19713.7759 5686.9122 183.6585 -334821.1005 22041.3358 0.0000 0.0000 44532.2542 -222463.7062 161.9961 -266995.9604 -222063.4132 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
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TIMING: 280 CPU: 133.11, 0.469205/step Wall: 133.11, 0.469205/step, 0.0286737 hours remaining, 3224.242188 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 19396.6310 20966.5622 5721.5031 185.8229 -334658.1150 22176.6862 0.0000 0.0000 43785.6882 -222425.2213 159.2803 -266210.9095 -222054.0583 159.2803 -1306.7503 -2717.2847 921491.4634 -1306.7503 -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 ============== 148.452
LDB: Largest compute 200 load 0.522482 is 1.1% of average load 45.758712
LDB: Average compute 0.064088 is 0.1% of average load 45.758712
LDB: TIME 148.454 LOAD: AVG 45.7587 MAX 46.998 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.44 MB
LDB: TIME 148.455 LOAD: AVG 45.7587 MAX 46.998 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.44 MB
LDB: TIME 148.47 LOAD: AVG 45.7587 MAX 46.2768 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.44 MB
LDB: ============== END OF LOAD BALANCING =============== 148.471
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.473
Info: Initial time: 4 CPUs 0.469795 s/step 5.43744 days/ns 3224.44 MB memory
TIMING: 300 CPU: 142.504, 0.469707/step Wall: 142.504, 0.469707/step, 0.0260949 hours remaining, 3224.441406 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: 151.729, 0.461229/step Wall: 151.729, 0.461229/step, 0.0230615 hours remaining, 3224.441406 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: 160.949, 0.460984/step Wall: 160.949, 0.460984/step, 0.0204882 hours remaining, 3224.441406 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: 170.164, 0.460773/step Wall: 170.164, 0.460773/step, 0.017919 hours remaining, 3224.441406 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 20646.4609 20251.1592 5706.5521 182.3249 -335763.5805 22794.3772 0.0000 0.0000 43848.2758 -222334.4303 159.5080 -266182.7062 -222041.4014 159.5080 -1819.5858 -2472.4987 921491.4634 -1819.5858 -2472.4987
ENERGY: 378 20473.8100 20495.6594 5711.4639 183.2952 -336584.2283 22821.5836 0.0000 0.0000 44474.7540 -222423.6622 161.7869 -266898.4162 -222044.3968 161.7869 -2972.9874 -2523.3499 921491.4634 -2972.9874 -2523.3499
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TIMING: 380 CPU: 179.371, 0.460349/step Wall: 179.371, 0.460349/step, 0.015345 hours remaining, 3224.441406 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 19981.2274 19220.9465 5707.6637 175.9385 -334865.1821 22880.7961 0.0000 0.0000 44519.8584 -222378.7515 161.9510 -266898.6099 -222051.0437 161.9510 122.6671 -2011.2426 921491.4634 122.6671 -2011.2426
ENERGY: 387 20367.2860 19202.4844 5710.9354 174.6759 -335109.8730 22905.2748 0.0000 0.0000 44377.1815 -222372.0349 161.4320 -266749.2164 -222053.0050 161.4320 -738.9583 -2019.1687 921491.4634 -738.9583 -2019.1687
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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 19692.8117 20133.3594 5716.9813 176.0456 -336812.3393 23014.0594 0.0000 0.0000 45592.7323 -222486.3496 165.8538 -268079.0819 -222045.7222 165.8538 -1710.2234 -2443.6963 921491.4634 -1710.2234 -2443.6963
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LDB: ============= START OF LOAD BALANCING ============== 194.555
LDB: Largest compute 230 load 0.529930 is 1.2% of average load 45.640760
LDB: Average compute 0.063908 is 0.1% of average load 45.640760
LDB: TIME 194.557 LOAD: AVG 45.6408 MAX 46.082 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.44 MB
LDB: TIME 194.557 LOAD: AVG 45.6408 MAX 46.082 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.44 MB
LDB: TIME 194.557 LOAD: AVG 45.6408 MAX 46.082 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.44 MB
LDB: ============== END OF LOAD BALANCING =============== 194.558
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.559
Info: Benchmark time: 4 CPUs 0.460757 s/step 5.33283 days/ns 3224.44 MB memory
TIMING: 400 CPU: 188.584, 0.460647/step Wall: 188.584, 0.460647/step, 0.0127958 hours remaining, 3224.441406 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 22444.0480 19835.9110 5715.8942 173.8391 -338107.6296 23109.6387 0.0000 0.0000 44436.8094 -222391.4892 161.6489 -266828.2986 -222049.2228 161.6489 -4939.3793 -2681.7023 921491.4634 -4939.3793 -2681.7023
ENERGY: 403 20784.9694 19778.4829 5715.7217 174.2695 -337239.9792 23077.8411 0.0000 0.0000 45225.5959 -222483.0986 164.5183 -267708.6945 -222046.6856 164.5183 -3613.5976 -2605.7426 921491.4634 -3613.5976 -2605.7426
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ENERGY: 409 20350.1188 19376.4605 5688.4774 191.1593 -336896.6850 23057.9929 0.0000 0.0000 45733.6056 -222498.8705 166.3663 -268232.4761 -222051.6706 166.3663 -2367.4918 -2346.9323 921491.4634 -2367.4918 -2346.9323
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: 414 19987.3856 20381.5506 5705.1134 199.5118 -337122.7804 23094.4561 0.0000 0.0000 45271.6526 -222483.1102 164.6858 -267754.7629 -222052.1628 164.6858 -2501.3243 -2333.9464 921491.4634 -2501.3243 -2333.9464
ENERGY: 415 19745.2667 20572.1259 5708.7451 198.1487 -336456.1978 23071.1994 0.0000 0.0000 44733.2272 -222427.4849 162.7272 -267160.7121 -222049.0351 162.7272 -1174.6453 -2266.5616 921491.4634 -1174.6453 -2266.5616
ENERGY: 416 19942.3170 20661.9897 5710.0856 195.6954 -336157.5863 23063.1716 0.0000 0.0000 44200.2849 -222384.0422 160.7885 -266584.3271 -222052.9645 160.7885 -282.7613 -2224.6897 921491.4634 -282.7613 -2224.6897
ENERGY: 417 20031.3749 20631.3210 5709.0493 192.4696 -336373.1076 23072.1099 0.0000 0.0000 44338.4618 -222398.3210 161.2911 -266736.7829 -222044.6994 161.2911 -112.4553 -2227.1700 921491.4634 -112.4553 -2227.1700
ENERGY: 418 20154.6647 20457.0910 5705.5847 188.6536 -336970.7866 23098.6725 0.0000 0.0000 44915.1421 -222450.9779 163.3889 -267366.1201 -222046.7094 163.3889 -671.8546 -2269.9922 921491.4634 -671.8546 -2269.9922
ENERGY: 419 20790.7631 20185.5524 5700.4810 184.6055 -337717.8753 23139.8021 0.0000 0.0000 45250.3098 -222466.3614 164.6082 -267716.6712 -222049.5951 164.6082 -1783.9422 -2336.6465 921491.4634 -1783.9422 -2336.6465
TIMING: 420 CPU: 197.762, 0.458918/step Wall: 197.762, 0.458918/step, 0.0101982 hours remaining, 3224.441406 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 21418.8982 19324.4270 5689.6735 172.2145 -337416.8943 23180.6035 0.0000 0.0000 45183.9710 -222447.1065 164.3669 -267631.0775 -222051.5234 164.3669 -3955.8308 -2434.9307 921491.4634 -3955.8308 -2434.9307
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ENERGY: 428 20140.4227 19760.4166 5710.4628 168.5259 -336199.9836 23087.7669 0.0000 0.0000 44884.2594 -222448.1294 163.2766 -267332.3888 -222058.0546 163.2766 -935.5733 -2206.9585 921491.4634 -935.5733 -2206.9585
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9873 20024.3736 5712.1699 168.1897 -338096.9190 23149.4484 0.0000 0.0000 44626.3097 -222402.4403 162.3382 -267028.7500 -222047.3912 162.3382 -2472.2458 -2268.0466 921491.4634 -2472.2458 -2268.0466
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ENERGY: 432 21768.3701 20188.6726 5710.3546 168.1086 -338651.2092 23176.0837 0.0000 0.0000 45177.9909 -222461.6287 164.3451 -267639.6196 -222065.9060 164.3451 -3350.2744 -2296.1500 921491.4634 -3350.2744 -2296.1500
ENERGY: 433 21200.9069 20275.9666 5710.3763 168.4633 -338164.0628 23162.2901 0.0000 0.0000 45192.9284 -222453.1313 164.3995 -267646.0596 -222052.5984 164.3995 -3187.3735 -2272.1279 921491.4634 -3187.3735 -2272.1279
ENERGY: 434 20730.3410 20338.1503 5711.6060 169.3247 -337394.2696 23140.7726 0.0000 0.0000 44883.0996 -222420.9753 163.2724 -267304.0750 -222051.1464 163.2724 -2694.3110 -2227.7888 921491.4634 -2694.3110 -2227.7888
ENERGY: 435 20235.2200 20362.4019 5714.0003 170.8455 -336680.6547 23123.4088 0.0000 0.0000 44675.9838 -222398.7946 162.5190 -267074.7783 -222049.5890 162.5190 -2061.3585 -2179.8954 921491.4634 -2061.3585 -2179.8954
ENERGY: 436 19670.9241 20349.9985 5717.2345 173.0864 -336303.8805 23119.9069 0.0000 0.0000 44847.0982 -222425.6319 163.1414 -267272.7301 -222059.6961 163.1414 -1520.6601 -2145.1620 921491.4634 -1520.6601 -2145.1620
ENERGY: 437 19434.5515 20329.5096 5720.9893 175.9827 -336411.9778 23136.3859 0.0000 0.0000 45159.2686 -222455.2903 164.2770 -267614.5589 -222050.7505 164.2770 -1319.1172 -2134.4851 921491.4634 -1319.1172 -2134.4851
ENERGY: 438 19935.1532 20278.6098 5724.6883 179.3848 -336899.4569 23173.5510 0.0000 0.0000 45148.1322 -222459.9376 164.2365 -267608.0698 -222051.5670 164.2365 -1493.0944 -2145.0883 921491.4634 -1493.0944 -2145.0883
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TIMING: 440 CPU: 206.94, 0.458883/step Wall: 206.94, 0.458883/step, 0.00764806 hours remaining, 3224.441406 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 20036.2371 5729.7526 186.7201 -338123.1796 23276.2477 0.0000 0.0000 44417.5456 -222405.1079 161.5788 -266822.6535 -222059.4773 161.5788 -2408.4615 -2197.9673 921491.4634 -2408.4615 -2197.9673
ENERGY: 441 22355.5486 19860.0407 5730.3487 190.1145 -338361.1703 23313.2036 0.0000 0.0000 44502.6962 -222409.2180 161.8886 -266911.9142 -222050.0861 161.8886 -2716.1029 -2221.5315 921491.4634 -2716.1029 -2221.5315
ENERGY: 442 21853.6116 19664.5345 5729.4854 192.9411 -338090.1519 23327.1559 0.0000 0.0000 44880.6320 -222441.7914 163.2634 -267322.4234 -222049.7756 163.2634 -2710.5577 -2229.0698 921491.4634 -2710.5577 -2229.0698
ENERGY: 443 21064.3313 19487.0717 5727.6164 194.9329 -337369.3135 23320.0149 0.0000 0.0000 45118.1107 -222457.2355 164.1273 -267575.3462 -222048.5996 164.1273 -2448.1649 -2220.3533 921491.4634 -2448.1649 -2220.3533
ENERGY: 444 20449.3362 19357.2684 5725.4095 195.8735 -336464.1910 23301.5267 0.0000 0.0000 44987.7177 -222447.0591 163.6530 -267434.7768 -222057.9800 163.6530 -2090.2100 -2206.4401 921491.4634 -2090.2100 -2206.4401
ENERGY: 445 20125.5608 19307.2512 5723.6512 195.6942 -335759.3903 23283.8130 0.0000 0.0000 44708.7155 -222414.7044 162.6380 -267123.4199 -222046.5431 162.6380 -1846.9628 -2201.6927 921491.4634 -1846.9628 -2201.6927
ENERGY: 446 19947.6804 19324.9002 5722.5429 194.3235 -335494.5700 23276.0442 0.0000 0.0000 44620.2946 -222408.7842 162.3164 -267029.0788 -222046.1623 162.3164 -1800.7520 -2216.7296 921491.4634 -1800.7520 -2216.7296
ENERGY: 447 19914.2848 19416.0208 5722.2106 191.8641 -335769.4394 23282.7449 0.0000 0.0000 44816.5089 -222425.8053 163.0301 -267242.3142 -222046.8346 163.0301 -1993.3115 -2253.0605 921491.4634 -1993.3115 -2253.0605
ENERGY: 448 20187.5922 19583.6799 5722.5764 188.5554 -336503.1795 23303.8895 0.0000 0.0000 45065.6675 -222451.2186 163.9365 -267516.8861 -222059.3482 163.9365 -2372.1882 -2303.7900 921491.4634 -2372.1882 -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 21754.4855 20108.1302 5724.4776 181.0898 -338419.3249 23364.6234 0.0000 0.0000 44854.3098 -222432.2087 163.1677 -267286.5185 -222048.7861 163.1677 -3116.6760 -2394.3898 921491.4634 -3116.6760 -2394.3898
ENERGY: 451 22355.5902 20357.7258 5724.7143 177.6517 -338952.0909 23381.7999 0.0000 0.0000 44542.6989 -222411.9101 162.0341 -266954.6090 -222048.8247 162.0341 -3074.2535 -2405.7800 921491.4634 -3074.2535 -2405.7800
ENERGY: 452 22246.2014 20536.0137 5723.8953 174.8859 -338927.1541 23378.0936 0.0000 0.0000 44452.9200 -222415.1443 161.7075 -266868.0642 -222059.6373 161.7075 -2659.9607 -2384.7570 921491.4634 -2659.9607 -2384.7570
ENERGY: 453 21399.8726 20641.1314 5722.2878 173.1350 -338392.7938 23354.5900 0.0000 0.0000 44683.7036 -222418.0733 162.5470 -267101.7769 -222043.5375 162.5470 -2048.3340 -2342.4670 921491.4634 -2048.3340 -2342.4670
ENERGY: 454 20248.3382 20654.1377 5720.2217 172.3637 -337567.1419 23320.6895 0.0000 0.0000 45008.1466 -222443.2445 163.7273 -267451.3911 -222041.8394 163.7273 -1453.4580 -2293.1452 921491.4634 -1453.4580 -2293.1452
ENERGY: 455 19486.7908 20584.7123 5718.4844 172.5169 -336790.6456 23290.4018 0.0000 0.0000 45086.5789 -222451.1606 164.0126 -267537.7395 -222040.8573 164.0126 -1151.8825 -2255.8573 921491.4634 -1151.8825 -2255.8573
ENERGY: 456 19493.3722 20440.6803 5717.7555 173.4248 -336350.1075 23274.9626 0.0000 0.0000 44811.4725 -222438.4395 163.0118 -267249.9120 -222055.3485 163.0118 -1305.5004 -2245.5823 921491.4634 -1305.5004 -2245.5823
ENERGY: 457 20047.4929 20251.9437 5718.5580 174.9241 -336395.8163 23277.8270 0.0000 0.0000 44521.8704 -222403.2002 161.9583 -266925.0706 -222049.4132 161.9583 -1906.4166 -2263.5013 921491.4634 -1906.4166 -2263.5013
ENERGY: 458 20585.8436 20019.2724 5720.7060 176.6081 -336835.0955 23294.7169 0.0000 0.0000 44632.7887 -222405.1599 162.3618 -267037.9485 -222051.2822 162.3618 -2684.6989 -2301.0427 921491.4634 -2684.6989 -2301.0427
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TIMING: 460 CPU: 216.113, 0.458644/step Wall: 216.113, 0.458644/step, 0.00509604 hours remaining, 3224.441406 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 19597.9063 5728.0971 179.4910 -338014.3762 23341.7999 0.0000 0.0000 45423.8562 -222480.6118 165.2395 -267904.4680 -222064.6837 165.2395 -3669.8204 -2365.2414 921491.4634 -3669.8204 -2365.2414
ENERGY: 461 21862.8762 19507.1074 5732.5752 180.4333 -338251.6210 23355.3934 0.0000 0.0000 45154.6135 -222458.6221 164.2601 -267613.2355 -222058.0508 164.2601 -3556.1668 -2361.1800 921491.4634 -3556.1668 -2361.1800
ENERGY: 462 22264.2255 19487.8107 5736.4822 180.9531 -337988.7163 23351.1085 0.0000 0.0000 44559.9288 -222408.2076 162.0968 -266968.1363 -222056.7215 162.0968 -2954.8200 -2323.4251 921491.4634 -2954.8200 -2323.4251
ENERGY: 463 21821.1791 19513.9013 5738.9360 181.1160 -337284.1022 23326.9478 0.0000 0.0000 44313.4566 -222388.5654 161.2002 -266702.0220 -222054.6243 161.2002 -2012.4424 -2264.0779 921491.4634 -2012.4424 -2264.0779
ENERGY: 464 20535.2461 19559.9270 5739.2518 181.0096 -336389.3833 23291.1943 0.0000 0.0000 44654.0262 -222428.7284 162.4391 -267082.7546 -222058.5728 162.4391 -1050.9225 -2205.5267 921491.4634 -1050.9225 -2205.5267
ENERGY: 465 19322.7828 19631.8852 5737.2898 180.7155 -335701.1528 23259.7393 0.0000 0.0000 45094.5684 -222474.1719 164.0416 -267568.7402 -222052.9387 164.0416 -512.3345 -2174.4007 921491.4634 -512.3345 -2174.4007
ENERGY: 466 19088.4511 19708.3580 5733.2107 180.2808 -335443.7722 23245.0606 0.0000 0.0000 45020.7905 -222467.6206 163.7733 -267488.4110 -222052.9784 163.7733 -630.3313 -2182.6709 921491.4634 -630.3313 -2182.6709
ENERGY: 467 19841.8070 19783.1742 5727.6703 179.7757 -335721.0949 23249.4533 0.0000 0.0000 44523.6662 -222415.5482 161.9649 -266939.2144 -222054.3494 161.9649 -1393.6029 -2232.5923 921491.4634 -1393.6029 -2232.5923
ENERGY: 468 20761.8483 19845.4943 5721.5089 179.2779 -336451.5668 23265.8129 0.0000 0.0000 44291.6582 -222385.9663 161.1209 -266677.6245 -222056.3591 161.1209 -2508.6716 -2314.1340 921491.4634 -2508.6716 -2314.1340
ENERGY: 469 21236.3017 19910.2023 5715.6824 178.8504 -337458.3206 23284.3966 0.0000 0.0000 44720.3200 -222412.5673 162.6802 -267132.8872 -222046.0750 162.6802 -3596.7408 -2405.7972 921491.4634 -3596.7408 -2405.7972
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1731 19972.8937 5710.9491 178.5947 -338383.2513 23297.0677 0.0000 0.0000 45346.4573 -222466.1157 164.9579 -267812.5729 -222047.6089 164.9579 -4259.6996 -2477.6831 921491.4634 -4259.6996 -2477.6831
ENERGY: 471 21732.8676 20054.6838 5707.9626 178.5890 -338913.2458 23297.5090 0.0000 0.0000 45471.3365 -222470.2971 165.4122 -267941.6336 -222047.5360 165.4122 -4290.5683 -2504.3175 921491.4634 -4290.5683 -2504.3175
ENERGY: 472 22081.2360 20161.5555 5707.0091 178.9047 -338870.6773 23279.4497 0.0000 0.0000 45028.5294 -222433.9928 163.8014 -267462.5223 -222059.5057 163.8014 -3659.7360 -2479.9183 921491.4634 -3659.7360 -2479.9183
ENERGY: 473 21866.1362 20289.3431 5707.9842 179.6165 -338307.7197 23240.7370 0.0000 0.0000 44634.5170 -222389.3858 162.3681 -267023.9028 -222043.8538 162.3681 -2556.3614 -2408.1657 921491.4634 -2556.3614 -2408.1657
ENERGY: 474 20842.9704 20372.0990 5710.2160 180.7466 -337438.4558 23189.2355 0.0000 0.0000 44733.2302 -222409.9580 162.7272 -267143.1882 -222041.2619 162.7272 -1295.5522 -2316.2727 921491.4634 -1295.5522 -2316.2727
ENERGY: 475 19674.2080 20371.7678 5712.9876 182.2512 -336604.2318 23142.3825 0.0000 0.0000 45070.2134 -222450.4215 163.9530 -267520.6349 -222039.4529 163.9530 -344.6447 -2232.2125 921491.4634 -344.6447 -2232.2125
ENERGY: 476 19235.7861 20282.0277 5715.7683 184.0125 -336100.0910 23115.8473 0.0000 0.0000 45106.0628 -222460.5863 164.0835 -267566.6490 -222053.6139 164.0835 -92.4047 -2183.0651 921491.4634 -92.4047 -2183.0651
ENERGY: 477 19704.7250 20145.9814 5718.4976 185.9230 -336101.8793 23114.2946 0.0000 0.0000 44812.3201 -222420.1376 163.0149 -267232.4577 -222044.8413 163.0149 -667.4945 -2171.8226 921491.4634 -667.4945 -2171.8226
ENERGY: 478 20493.4777 19974.7637 5721.0254 187.7262 -336537.4036 23131.2466 0.0000 0.0000 44627.0324 -222402.1316 162.3409 -267029.1640 -222047.4108 162.3409 -1807.1603 -2198.7954 921491.4634 -1807.1603 -2198.7954
ENERGY: 479 21125.3057 19793.3954 5723.3295 189.2099 -337215.5834 23156.6777 0.0000 0.0000 44802.1569 -222425.5084 162.9779 -267227.6653 -222050.5461 162.9779 -3089.8514 -2246.7915 921491.4634 -3089.8514 -2246.7915
TIMING: 480 CPU: 225.28, 0.458337/step Wall: 225.28, 0.458337/step, 0.00254632 hours remaining, 3224.441406 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 19623.1961 5725.3111 190.1901 -337854.6777 23181.5123 0.0000 0.0000 45051.6806 -222458.7552 163.8856 -267510.4358 -222064.6212 163.8856 -4077.7325 -2291.4889 921491.4634 -4077.7325 -2291.4889
ENERGY: 481 22092.4850 19510.0429 5727.0952 190.6351 -338199.2470 23196.7963 0.0000 0.0000 45041.3359 -222440.8565 163.8480 -267482.1924 -222052.5268 163.8480 -4466.2391 -2305.6730 921491.4634 -4466.2391 -2305.6730
ENERGY: 482 22186.3465 19466.6790 5728.4964 190.3598 -338044.5406 23192.7478 0.0000 0.0000 44865.8510 -222414.0602 163.2096 -267279.9112 -222051.4115 163.2096 -4059.3094 -2278.0612 921491.4634 -4059.3094 -2278.0612
ENERGY: 483 21553.1412 19511.5741 5729.5660 189.3227 -337426.2173 23165.8743 0.0000 0.0000 44861.8958 -222414.8432 163.1952 -267276.7390 -222048.7674 163.1952 -2964.1718 -2216.4113 921491.4634 -2964.1718 -2216.4113
ENERGY: 484 20460.8925 19631.1935 5730.2465 187.5455 -336590.8871 23126.1354 0.0000 0.0000 45003.6021 -222451.2716 163.7107 -267454.8738 -222059.8741 163.7107 -1565.2421 -2143.1847 921491.4634 -1565.2421 -2143.1847
ENERGY: 485 19688.7720 19800.2988 5730.5256 185.2458 -335902.5855 23092.8472 0.0000 0.0000 44955.5716 -222449.3245 163.5360 -267404.8961 -222045.9605 163.5360 -422.1566 -2086.8734 921491.4634 -422.1566 -2086.8734
ENERGY: 486 19602.5426 19954.8174 5729.7197 182.4662 -335612.3559 23080.3808 0.0000 0.0000 44645.9109 -222416.5181 162.4096 -267062.4290 -222044.6760 162.4096 87.3182 -2070.0981 921491.4634 87.3182 -2070.0981
ENERGY: 487 19881.0926 20072.0211 5727.4347 179.4360 -335846.4475 23091.0544 0.0000 0.0000 44503.3487 -222392.0599 161.8910 -266895.4086 -222045.2406 161.8910 -192.2346 -2106.8839 921491.4634 -192.2346 -2106.8839
ENERGY: 488 20125.2099 20156.1361 5723.5441 176.4338 -336552.5448 23118.8616 0.0000 0.0000 44827.0552 -222425.3041 163.0685 -267252.3593 -222057.1938 163.0685 -1145.7535 -2194.6679 921491.4634 -1145.7535 -2194.6679
ENERGY: 489 20526.8872 20236.4610 5718.5748 173.8639 -337540.4652 23156.7309 0.0000 0.0000 45266.1001 -222461.8472 164.6656 -267727.9474 -222045.6085 164.6656 -2511.2406 -2316.7066 921491.4634 -2511.2406 -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 21410.7488 20292.9024 5712.8912 171.8438 -338458.1359 23196.4876 0.0000 0.0000 45213.5628 -222459.6993 164.4745 -267673.2620 -222048.2207 164.4745 -3823.4039 -2437.4155 921491.4634 -3823.4039 -2437.4155
ENERGY: 491 22430.4638 20312.1365 5707.3795 170.5404 -338984.5793 23226.0935 0.0000 0.0000 44733.0088 -222404.9568 162.7264 -267137.9656 -222049.4638 162.7264 -4629.6935 -2524.6215 921491.4634 -4629.6935 -2524.6215
ENERGY: 492 22612.9545 20289.6816 5702.9944 170.0208 -338937.5818 23232.7203 0.0000 0.0000 44542.1950 -222387.0152 162.0323 -266929.2102 -222060.3861 162.0323 -4606.8524 -2557.4730 921491.4634 -4606.8524 -2557.4730
ENERGY: 493 21558.2187 20260.7380 5700.7779 170.3200 -338358.0637 23214.0534 0.0000 0.0000 45033.8229 -222420.1327 163.8207 -267453.9556 -222046.5902 163.8207 -3796.3819 -2540.0997 921491.4634 -3796.3819 -2540.0997
ENERGY: 494 20068.3366 20225.0267 5700.9805 171.2193 -337454.3839 23183.0792 0.0000 0.0000 45622.2475 -222483.4940 165.9612 -268105.7415 -222044.0869 165.9612 -2500.8992 -2482.1070 921491.4634 -2500.8992 -2482.1070
ENERGY: 495 19383.2464 20186.8306 5703.5926 172.5416 -336566.9891 23159.4621 0.0000 0.0000 45484.1232 -222477.1926 165.4587 -267961.3159 -222041.5564 165.4587 -1249.6838 -2407.3057 921491.4634 -1249.6838 -2407.3057
ENERGY: 496 19722.4835 20130.6475 5708.0350 174.0933 -335998.7161 23154.2632 0.0000 0.0000 44699.5273 -222409.6663 162.6046 -267109.1936 -222049.0673 162.6046 -478.9000 -2343.4753 921491.4634 -478.9000 -2343.4753
ENERGY: 497 20212.6669 20059.9176 5713.4613 175.7242 -335952.5047 23166.3541 0.0000 0.0000 44261.0293 -222363.3513 161.0095 -266624.3806 -222042.7503 161.0095 -421.0235 -2316.7931 921491.4634 -421.0235 -2316.7931
ENERGY: 498 20182.0167 19957.1213 5718.5596 177.2604 -336366.4936 23189.3580 0.0000 0.0000 44728.2540 -222413.9236 162.7091 -267142.1776 -222044.5223 162.7091 -993.4683 -2331.6475 921491.4634 -993.4683 -2331.6475
ENERGY: 499 20158.0680 19847.7304 5722.4089 178.6361 -337058.4826 23219.2399 0.0000 0.0000 45439.2650 -222493.1342 165.2956 -267932.3993 -222047.2065 165.2956 -2020.8691 -2376.3393 921491.4634 -2020.8691 -2376.3393
Info: Benchmark time: 4 CPUs 0.45787 s/step 5.29942 days/ns 3224.44 MB memory
TIMING: 500 CPU: 234.371, 0.454575/step Wall: 234.371, 0.454575/step, 0 hours remaining, 3224.441406 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 20974.8937 19756.6579 5724.4523 179.8271 -337741.4190 23251.1003 0.0000 0.0000 45359.0785 -222495.4092 165.0039 -267854.4877 -222061.0910 165.0039 -3197.5170 -2425.4143 921491.4634 -3197.5170 -2425.4143
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, 3229.891 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.891 MB of memory in use
====================================================
WallClock: 241.235687 CPUTime: 241.235687 Memory: 3229.890625 MB
[Partition 0][Node 0] End of program
Application 102622487 resources: utime ~948s, stime ~19s, Rss ~127204, inblocks ~67012, outblocks ~72238
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins771609662994574388.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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