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 ============== 54.5139
LDB: Largest compute 200 load 0.429990 is 1.2% of average load 36.794511
LDB: Average compute 0.051542 is 0.1% of average load 36.794511
LDB: Partitioning computes with target load 3.679451
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055221
LDB: ============== END OF LOAD BALANCING =============== 54.5161
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.5169
Info: Initial time: 4 CPUs 0.473891 s/step 5.48485 days/ns 3221.55 MB memory
TIMING: 100 CPU: 48.3614, 0.473062/step Wall: 48.3614, 0.473062/step, 0.0525624 hours remaining, 3221.546875 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 ============== 63.9569
LDB: ============== END OF LOAD BALANCING =============== 63.9569
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9574
TIMING: 120 CPU: 57.8009, 0.47198/step Wall: 57.8009, 0.47198/step, 0.0498201 hours remaining, 3221.710938 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9638 -222340.8739 155.6399 -265125.8377 -222213.1816 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.2342, 0.471661/step Wall: 67.2342, 0.471661/step, 0.0471661 hours remaining, 3221.851562 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 44606.5898 -222515.5246 162.2665 -267122.1144 -222153.2667 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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TIMING: 160 CPU: 76.6566, 0.471123/step Wall: 76.6566, 0.471123/step, 0.044495 hours remaining, 3222.175781 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 178 21917.7899 18733.9558 5737.6245 154.5770 -332975.2976 21015.2133 0.0000 0.0000 43101.1546 -222314.9826 156.7902 -265416.1372 -222126.1323 156.7902 -2936.2256 -2665.7683 921491.4634 -2936.2256 -2665.7683
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TIMING: 180 CPU: 86.0676, 0.470549/step Wall: 86.0676, 0.470549/step, 0.0418266 hours remaining, 3222.175781 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 ============== 101.636
LDB: Largest compute 200 load 0.424980 is 1.2% of average load 36.614206
LDB: Average compute 0.051281 is 0.1% of average load 36.614206
LDB: TIME 101.638 LOAD: AVG 36.6142 MAX 37.6782 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.58 MB
LDB: TIME 101.64 LOAD: AVG 36.6142 MAX 37.5717 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.58 MB
LDB: ============== END OF LOAD BALANCING =============== 101.642
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.645
Info: Initial time: 4 CPUs 0.471147 s/step 5.45309 days/ns 3223.67 MB memory
TIMING: 200 CPU: 95.486, 0.470918/step Wall: 95.486, 0.470918/step, 0.0392431 hours remaining, 3223.667969 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: 104.922, 0.471789/step Wall: 104.922, 0.471789/step, 0.0366947 hours remaining, 3223.667969 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: 114.351, 0.471465/step Wall: 114.351, 0.471465/step, 0.0340503 hours remaining, 3223.667969 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 19853.7026 5716.8932 174.1558 -334213.1208 21705.0852 0.0000 0.0000 43600.4182 -222284.3179 158.6063 -265884.7361 -222067.4297 158.6063 -1173.7928 -2523.3912 921491.4634 -1173.7928 -2523.3912
ENERGY: 247 19868.5285 19979.6441 5712.7400 177.5412 -334802.1845 21719.8456 0.0000 0.0000 44912.1913 -222431.6938 163.3782 -267343.8851 -222068.1395 163.3782 -982.9999 -2552.5931 921491.4634 -982.9999 -2552.5931
ENERGY: 248 19035.4924 20164.4297 5713.8450 181.3144 -335623.1357 21746.4312 0.0000 0.0000 46185.9363 -222595.6867 168.0117 -268781.6230 -222090.3129 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 20899.4408 18950.9577 5693.4518 195.6570 -332975.5971 21757.6849 0.0000 0.0000 43181.1611 -222297.2439 157.0812 -265478.4050 -222071.2740 157.0812 -2042.2407 -2664.5199 921491.4634 -2042.2407 -2664.5199
ENERGY: 257 20029.5652 18878.1872 5681.1759 194.7976 -333481.0038 21780.2420 0.0000 0.0000 44488.5468 -222428.4891 161.8371 -266917.0359 -222060.1684 161.8371 -2035.5361 -2692.1442 921491.4634 -2035.5361 -2692.1442
ENERGY: 258 19453.5866 18882.0665 5673.2911 193.6684 -334373.1545 21817.5079 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: 123.769, 0.470885/step Wall: 123.769, 0.470885/step, 0.0313924 hours remaining, 3224.015625 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 19385.2258 20436.4306 5710.6950 187.5052 -334855.9511 21907.7773 0.0000 0.0000 44751.4781 -222476.8390 162.7936 -267228.3171 -222069.1984 162.7936 -2191.1925 -2723.5293 921491.4634 -2191.1925 -2723.5293
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ENERGY: 266 20048.7897 20788.8701 5712.1327 187.6137 -334399.4576 21914.4806 0.0000 0.0000 43399.3795 -222348.1913 157.8750 -265747.5709 -222054.3636 157.8750 -2130.7238 -2664.5955 921491.4634 -2130.7238 -2664.5955
ENERGY: 267 19648.0904 20691.2678 5707.0583 187.8501 -334831.4856 21930.8375 0.0000 0.0000 44220.2168 -222446.1647 160.8610 -266666.3815 -222055.6586 160.8610 -2435.4233 -2662.6782 921491.4634 -2435.4233 -2662.6782
ENERGY: 268 19962.9160 20375.7515 5700.1930 187.9286 -335513.7452 21959.1258 0.0000 0.0000 44823.5377 -222504.2925 163.0557 -267327.8303 -222075.9876 163.0557 -2903.2124 -2658.6181 921491.4634 -2903.2124 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1935 19450.9167 5690.3173 187.1618 -336650.6779 22028.8072 0.0000 0.0000 44308.0075 -222365.2739 161.1804 -266673.2814 -222067.0435 161.1804 -3583.3636 -2617.7583 921491.4634 -3583.3636 -2617.7583
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ENERGY: 272 21021.5585 18896.0661 5692.8269 184.9335 -335921.4617 22015.0581 0.0000 0.0000 45607.7077 -222503.3110 165.9083 -268111.0186 -222081.1571 165.9083 -2551.9685 -2501.8804 921491.4634 -2551.9685 -2501.8804
ENERGY: 273 20123.2135 18932.9080 5697.5118 183.8526 -334925.7013 21985.5297 0.0000 0.0000 45502.7161 -222499.9695 165.5264 -268002.6856 -222069.0458 165.5264 -1837.1975 -2434.6760 921491.4634 -1837.1975 -2434.6760
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ENERGY: 276 19401.8499 19594.7506 5701.2546 182.4904 -333292.1279 21971.0411 0.0000 0.0000 44028.5270 -222412.2141 160.1637 -266440.7411 -222072.9395 160.1637 -1580.1298 -2417.6040 921491.4634 -1580.1298 -2417.6040
ENERGY: 277 19149.2970 19724.7158 5695.5210 182.9396 -333864.3451 21997.2389 0.0000 0.0000 44632.8111 -222481.8218 162.3619 -267114.6329 -222061.0988 162.3619 -2311.7543 -2498.0545 921491.4634 -2311.7543 -2498.0545
ENERGY: 278 20199.4576 19713.7758 5686.9122 183.6585 -334821.1002 22041.3361 0.0000 0.0000 44532.2539 -222463.7062 161.9961 -266995.9601 -222063.4131 161.9961 -3254.8157 -2593.7696 921491.4634 -3254.8157 -2593.7696
ENERGY: 279 21984.3651 19593.9429 5677.5176 184.5187 -335888.5801 22096.4201 0.0000 0.0000 43975.0878 -222376.7280 159.9693 -266351.8157 -222065.2024 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 133.174, 0.470271/step Wall: 133.174, 0.470271/step, 0.0287388 hours remaining, 3224.015625 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 19396.6307 20966.5622 5721.5031 185.8230 -334658.1150 22176.6865 0.0000 0.0000 43785.6881 -222425.2214 159.2803 -266210.9095 -222054.0584 159.2803 -1306.7500 -2717.2847 921491.4634 -1306.7500 -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 ============== 148.749
LDB: Largest compute 200 load 0.522928 is 1.1% of average load 45.728461
LDB: Average compute 0.064058 is 0.1% of average load 45.728461
LDB: TIME 148.751 LOAD: AVG 45.7285 MAX 47.1043 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.41 MB
LDB: TIME 148.752 LOAD: AVG 45.7285 MAX 47.1043 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.41 MB
LDB: TIME 148.767 LOAD: AVG 45.7285 MAX 46.2501 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.41 MB
LDB: ============== END OF LOAD BALANCING =============== 148.768
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.77
Info: Initial time: 4 CPUs 0.470725 s/step 5.4482 days/ns 3224.41 MB memory
TIMING: 300 CPU: 142.58, 0.470266/step Wall: 142.58, 0.470266/step, 0.0261259 hours remaining, 3224.410156 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: 151.804, 0.461205/step Wall: 151.804, 0.461205/step, 0.0230603 hours remaining, 3224.410156 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: 161.019, 0.46075/step Wall: 161.019, 0.46075/step, 0.0204778 hours remaining, 3224.410156 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: 170.229, 0.460535/step Wall: 170.229, 0.460535/step, 0.0179097 hours remaining, 3224.410156 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 20251.1591 5706.5521 182.3249 -335763.5795 22794.3770 0.0000 0.0000 43848.2756 -222334.4303 159.5080 -266182.7058 -222041.4013 159.5080 -1819.5855 -2472.4986 921491.4634 -1819.5855 -2472.4986
ENERGY: 378 20473.8099 20495.6592 5711.4639 183.2952 -336584.2274 22821.5833 0.0000 0.0000 44474.7538 -222423.6621 161.7869 -266898.4159 -222044.3967 161.7869 -2972.9872 -2523.3499 921491.4634 -2972.9872 -2523.3499
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TIMING: 380 CPU: 179.435, 0.460293/step Wall: 179.435, 0.460293/step, 0.0153431 hours remaining, 3224.410156 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: 385 19327.8180 19356.8912 5707.7751 177.4354 -335210.6400 22871.6139 0.0000 0.0000 45299.7173 -222469.3890 164.7879 -267769.1063 -222051.0994 164.7879 215.3515 -2064.3637 921491.4634 215.3515 -2064.3637
ENERGY: 386 19981.2271 19220.9466 5707.6637 175.9385 -334865.1816 22880.7953 0.0000 0.0000 44519.8588 -222378.7517 161.9510 -266898.6104 -222051.0438 161.9510 122.6672 -2011.2429 921491.4634 122.6672 -2011.2429
ENERGY: 387 20367.2858 19202.4846 5710.9354 174.6759 -335109.8724 22905.2739 0.0000 0.0000 44377.1817 -222372.0350 161.4320 -266749.2167 -222053.0051 161.4320 -738.9583 -2019.1689 921491.4634 -738.9583 -2019.1689
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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 20133.3591 5716.9814 176.0456 -336812.3373 23014.0583 0.0000 0.0000 45592.7320 -222486.3495 165.8538 -268079.0815 -222045.7221 165.8538 -1710.2236 -2443.6966 921491.4634 -1710.2236 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 194.834
LDB: Largest compute 230 load 0.525869 is 1.2% of average load 45.636655
LDB: Average compute 0.063904 is 0.1% of average load 45.636655
LDB: TIME 194.836 LOAD: AVG 45.6367 MAX 46.0643 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.41 MB
LDB: TIME 194.837 LOAD: AVG 45.6367 MAX 46.0643 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.41 MB
LDB: TIME 194.837 LOAD: AVG 45.6367 MAX 46.0643 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.41 MB
LDB: ============== END OF LOAD BALANCING =============== 194.837
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.838
Info: Benchmark time: 4 CPUs 0.460583 s/step 5.33082 days/ns 3224.41 MB memory
TIMING: 400 CPU: 188.642, 0.460346/step Wall: 188.642, 0.460346/step, 0.0127874 hours remaining, 3224.410156 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 22444.0482 19835.9109 5715.8942 173.8391 -338107.6286 23109.6377 0.0000 0.0000 44436.8095 -222391.4890 161.6489 -266828.2985 -222049.2226 161.6489 -4939.3799 -2681.7026 921491.4634 -4939.3799 -2681.7026
ENERGY: 403 20784.9696 19778.4829 5715.7218 174.2695 -337239.9782 23077.8401 0.0000 0.0000 45225.5960 -222483.0984 164.5183 -267708.6944 -222046.6854 164.5183 -3613.5981 -2605.7429 921491.4634 -3613.5981 -2605.7429
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ENERGY: 408 19735.8468 19387.6644 5692.2151 187.5226 -335902.8211 23017.8173 0.0000 0.0000 45394.4116 -222487.3432 165.1324 -267881.7548 -222063.5312 165.1324 -920.8278 -2294.1555 921491.4634 -920.8278 -2294.1555
ENERGY: 409 20350.1187 19376.4607 5688.4775 191.1593 -336896.6840 23057.9922 0.0000 0.0000 45733.6053 -222498.8704 166.3663 -268232.4757 -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 21850.5212 19470.1802 5687.6649 194.4179 -337813.1839 23106.2028 0.0000 0.0000 45077.0709 -222427.1261 163.9780 -267504.1969 -222054.6427 163.9780 -3838.6213 -2402.0239 921491.4634 -3838.6213 -2402.0239
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ENERGY: 412 22535.8953 19878.8219 5694.3233 198.8205 -338356.4965 23146.2935 0.0000 0.0000 44499.5078 -222402.8341 161.8770 -266902.3419 -222068.4597 161.8770 -4717.2142 -2436.3027 921491.4634 -4717.2142 -2436.3027
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ENERGY: 415 19745.2663 20572.1258 5708.7452 198.1487 -336456.1959 23071.1990 0.0000 0.0000 44733.2267 -222427.4843 162.7272 -267160.7110 -222049.0345 162.7272 -1174.6450 -2266.5614 921491.4634 -1174.6450 -2266.5614
ENERGY: 416 19942.3166 20661.9895 5710.0857 195.6953 -336157.5848 23063.1713 0.0000 0.0000 44200.2843 -222384.0420 160.7885 -266584.3264 -222052.9644 160.7885 -282.7609 -2224.6896 921491.4634 -282.7609 -2224.6896
ENERGY: 417 20031.3746 20631.3209 5709.0494 192.4696 -336373.1062 23072.1096 0.0000 0.0000 44338.4613 -222398.3209 161.2911 -266736.7821 -222044.6993 161.2911 -112.4549 -2227.1699 921491.4634 -112.4549 -2227.1699
ENERGY: 418 20154.6645 20457.0909 5705.5847 188.6536 -336970.7856 23098.6724 0.0000 0.0000 44915.1417 -222450.9778 163.3889 -267366.1194 -222046.7093 163.3889 -671.8543 -2269.9921 921491.4634 -671.8543 -2269.9921
ENERGY: 419 20790.7630 20185.5524 5700.4810 184.6055 -337717.8748 23139.8021 0.0000 0.0000 45250.3096 -222466.3613 164.6082 -267716.6708 -222049.5950 164.6082 -1783.9421 -2336.6464 921491.4634 -1783.9421 -2336.6464
TIMING: 420 CPU: 197.825, 0.459156/step Wall: 197.825, 0.459156/step, 0.0102035 hours remaining, 3224.410156 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 22275.7617 19449.5351 5688.9976 174.4058 -338225.0312 23208.5472 0.0000 0.0000 45004.7080 -222423.0757 163.7148 -267427.7837 -222052.8449 163.7148 -4363.1156 -2465.6374 921491.4634 -4363.1156 -2465.6374
ENERGY: 423 21418.8987 19324.4275 5689.6736 172.2146 -337416.8954 23180.6036 0.0000 0.0000 45183.9711 -222447.1063 164.3669 -267631.0774 -222051.5232 164.3669 -3955.8310 -2434.9306 921491.4634 -3955.8310 -2434.9306
ENERGY: 424 20531.3309 19270.7818 5692.6542 170.6563 -336406.2761 23140.4642 0.0000 0.0000 45151.0456 -222449.3430 164.2471 -267600.3887 -222060.4127 164.2471 -3030.1609 -2370.2033 921491.4634 -3030.1609 -2370.2033
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ENERGY: 427 19598.5313 19595.2900 5707.1504 168.7509 -335498.4314 23074.5002 0.0000 0.0000 44915.2775 -222438.9310 163.3894 -267354.2085 -222048.7338 163.3894 -741.9006 -2207.6355 921491.4634 -741.9006 -2207.6355
ENERGY: 428 20140.4225 19760.4171 5710.4628 168.5259 -336199.9849 23087.7672 0.0000 0.0000 44884.2595 -222448.1297 163.2766 -267332.3892 -222058.0549 163.2766 -935.5730 -2206.9585 921491.4634 -935.5730 -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 22013.9874 20024.3736 5712.1700 168.1897 -338096.9203 23149.4489 0.0000 0.0000 44626.3100 -222402.4406 162.3383 -267028.7507 -222047.3915 162.3383 -2472.2458 -2268.0465 921491.4634 -2472.2458 -2268.0465
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ENERGY: 432 21768.3707 20188.6722 5710.3546 168.1086 -338651.2102 23176.0842 0.0000 0.0000 45177.9910 -222461.6288 164.3451 -267639.6198 -222065.9061 164.3451 -3350.2746 -2296.1498 921491.4634 -3350.2746 -2296.1498
ENERGY: 433 21200.9074 20275.9662 5710.3763 168.4633 -338164.0637 23162.2907 0.0000 0.0000 45192.9284 -222453.1314 164.3995 -267646.0598 -222052.5985 164.3995 -3187.3736 -2272.1277 921491.4634 -3187.3736 -2272.1277
ENERGY: 434 20730.3412 20338.1498 5711.6061 169.3247 -337394.2701 23140.7732 0.0000 0.0000 44883.0997 -222420.9755 163.2724 -267304.0752 -222051.1466 163.2724 -2694.3109 -2227.7885 921491.4634 -2694.3109 -2227.7885
ENERGY: 435 20235.2199 20362.4014 5714.0003 170.8455 -336680.6550 23123.4094 0.0000 0.0000 44675.9838 -222398.7947 162.5190 -267074.7786 -222049.5892 162.5190 -2061.3581 -2179.8951 921491.4634 -2061.3581 -2179.8951
ENERGY: 436 19670.9239 20349.9981 5717.2345 173.0864 -336303.8808 23119.9075 0.0000 0.0000 44847.0982 -222425.6322 163.1414 -267272.7305 -222059.6964 163.1414 -1520.6596 -2145.1618 921491.4634 -1520.6596 -2145.1618
ENERGY: 437 19434.5511 20329.5092 5720.9893 175.9827 -336411.9782 23136.3866 0.0000 0.0000 45159.2687 -222455.2906 164.2770 -267614.5593 -222050.7508 164.2770 -1319.1166 -2134.4849 921491.4634 -1319.1166 -2134.4849
ENERGY: 438 19935.1528 20278.6095 5724.6883 179.3848 -336899.4576 23173.5518 0.0000 0.0000 45148.1325 -222459.9379 164.2365 -267608.0704 -222051.5673 164.2365 -1493.0939 -2145.0881 921491.4634 -1493.0939 -2145.0881
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TIMING: 440 CPU: 207.001, 0.458777/step Wall: 207.001, 0.458777/step, 0.00764629 hours remaining, 3224.410156 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5684 20036.2372 5729.7527 186.7202 -338123.1812 23276.2486 0.0000 0.0000 44417.5460 -222405.1083 161.5788 -266822.6543 -222059.4776 161.5788 -2408.4614 -2197.9672 921491.4634 -2408.4614 -2197.9672
ENERGY: 441 22355.5489 19860.0409 5730.3487 190.1146 -338361.1724 23313.2045 0.0000 0.0000 44502.6965 -222409.2182 161.8886 -266911.9147 -222050.0863 161.8886 -2716.1031 -2221.5314 921491.4634 -2716.1031 -2221.5314
ENERGY: 442 21853.6120 19664.5350 5729.4854 192.9412 -338090.1543 23327.1569 0.0000 0.0000 44880.6321 -222441.7917 163.2634 -267322.4238 -222049.7759 163.2634 -2710.5580 -2229.0697 921491.4634 -2710.5580 -2229.0697
ENERGY: 443 21064.3316 19487.0724 5727.6164 194.9329 -337369.3159 23320.0159 0.0000 0.0000 45118.1109 -222457.2358 164.1273 -267575.3467 -222048.5999 164.1273 -2448.1652 -2220.3532 921491.4634 -2448.1652 -2220.3532
ENERGY: 444 20449.3362 19357.2692 5725.4095 195.8735 -336464.1926 23301.5277 0.0000 0.0000 44987.7177 -222447.0587 163.6530 -267434.7764 -222057.9797 163.6530 -2090.2099 -2206.4398 921491.4634 -2090.2099 -2206.4398
ENERGY: 445 20125.5607 19307.2520 5723.6513 195.6942 -335759.3916 23283.8141 0.0000 0.0000 44708.7153 -222414.7041 162.6380 -267123.4194 -222046.5427 162.6380 -1846.9624 -2201.6924 921491.4634 -1846.9624 -2201.6924
ENERGY: 446 19947.6803 19324.9007 5722.5430 194.3235 -335494.5708 23276.0453 0.0000 0.0000 44620.2943 -222408.7838 162.3164 -267029.0781 -222046.1620 162.3164 -1800.7514 -2216.7291 921491.4634 -1800.7514 -2216.7291
ENERGY: 447 19914.2845 19416.0211 5722.2107 191.8641 -335769.4399 23282.7460 0.0000 0.0000 44816.5085 -222425.8049 163.0301 -267242.3135 -222046.8342 163.0301 -1993.3107 -2253.0601 921491.4634 -1993.3107 -2253.0601
ENERGY: 448 20187.5918 19583.6800 5722.5764 188.5554 -336503.1803 23303.8907 0.0000 0.0000 45065.6672 -222451.2187 163.9365 -267516.8859 -222059.3482 163.9365 -2372.1875 -2303.7897 921491.4634 -2372.1875 -2303.7897
ENERGY: 449 20877.4058 19832.6985 5723.5712 184.8596 -337500.9074 23334.5926 0.0000 0.0000 45101.1675 -222446.6121 164.0657 -267547.7796 -222047.7101 164.0657 -2827.1079 -2356.1406 921491.4634 -2827.1079 -2356.1406
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 20108.1299 5724.4776 181.0897 -338419.3253 23364.6246 0.0000 0.0000 44854.3092 -222432.2088 163.1676 -267286.5180 -222048.7862 163.1676 -3116.6756 -2394.3895 921491.4634 -3116.6756 -2394.3895
ENERGY: 451 22355.5904 20357.7254 5724.7144 177.6516 -338952.0911 23381.8010 0.0000 0.0000 44542.6981 -222411.9102 162.0341 -266954.6082 -222048.8247 162.0341 -3074.2534 -2405.7797 921491.4634 -3074.2534 -2405.7797
ENERGY: 452 22246.2016 20536.0134 5723.8953 174.8859 -338927.1538 23378.0947 0.0000 0.0000 44452.9190 -222415.1440 161.7075 -266868.0629 -222059.6370 161.7075 -2659.9607 -2384.7566 921491.4634 -2659.9607 -2384.7566
ENERGY: 453 21399.8725 20641.1311 5722.2878 173.1350 -338392.7932 23354.5911 0.0000 0.0000 44683.7027 -222418.0730 162.5470 -267101.7757 -222043.5372 162.5470 -2048.3340 -2342.4667 921491.4634 -2048.3340 -2342.4667
ENERGY: 454 20248.3379 20654.1375 5720.2217 172.3637 -337567.1411 23320.6905 0.0000 0.0000 45008.1457 -222443.2442 163.7273 -267451.3899 -222041.8391 163.7273 -1453.4579 -2293.1449 921491.4634 -1453.4579 -2293.1449
ENERGY: 455 19486.7905 20584.7122 5718.4844 172.5169 -336790.6447 23290.4026 0.0000 0.0000 45086.5779 -222451.1603 164.0126 -267537.7382 -222040.8570 164.0126 -1151.8822 -2255.8570 921491.4634 -1151.8822 -2255.8570
ENERGY: 456 19493.3719 20440.6802 5717.7556 173.4248 -336350.1067 23274.9634 0.0000 0.0000 44811.4716 -222438.4392 163.0118 -267249.9109 -222055.3483 163.0118 -1305.4999 -2245.5820 921491.4634 -1305.4999 -2245.5820
ENERGY: 457 20047.4925 20251.9436 5718.5580 174.9241 -336395.8157 23277.8277 0.0000 0.0000 44521.8698 -222403.2000 161.9583 -266925.0697 -222049.4130 161.9583 -1906.4160 -2263.5010 921491.4634 -1906.4160 -2263.5010
ENERGY: 458 20585.8432 20019.2724 5720.7061 176.6081 -336835.0953 23294.7175 0.0000 0.0000 44632.7884 -222405.1596 162.3618 -267037.9481 -222051.2819 162.3618 -2684.6983 -2301.0425 921491.4634 -2684.6983 -2301.0425
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TIMING: 460 CPU: 216.166, 0.458247/step Wall: 216.166, 0.458247/step, 0.00509164 hours remaining, 3224.410156 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 21262.6140 19597.9064 5728.0972 179.4910 -338014.3767 23341.8003 0.0000 0.0000 45423.8564 -222480.6114 165.2395 -267904.4678 -222064.6833 165.2395 -3669.8202 -2365.2411 921491.4634 -3669.8202 -2365.2411
ENERGY: 461 21862.8765 19507.1077 5732.5753 180.4333 -338251.6218 23355.3937 0.0000 0.0000 45154.6138 -222458.6217 164.2601 -267613.2355 -222058.0504 164.2601 -3556.1668 -2361.1799 921491.4634 -3556.1668 -2361.1799
ENERGY: 462 22264.2257 19487.8111 5736.4822 180.9531 -337988.7173 23351.1087 0.0000 0.0000 44559.9293 -222408.2072 162.0968 -266968.1364 -222056.7211 162.0968 -2954.8203 -2323.4250 921491.4634 -2954.8203 -2323.4250
ENERGY: 463 21821.1792 19513.9017 5738.9361 181.1160 -337284.1031 23326.9478 0.0000 0.0000 44313.4573 -222388.5650 161.2002 -266702.0223 -222054.6239 161.2002 -2012.4426 -2264.0778 921491.4634 -2012.4426 -2264.0778
ENERGY: 464 20535.2460 19559.9274 5739.2518 181.0096 -336389.3845 23291.1942 0.0000 0.0000 44654.0270 -222428.7284 162.4391 -267082.7554 -222058.5729 162.4391 -1050.9228 -2205.5269 921491.4634 -1050.9228 -2205.5269
ENERGY: 465 19322.7827 19631.8855 5737.2899 180.7155 -335701.1537 23259.7392 0.0000 0.0000 45094.5691 -222474.1719 164.0416 -267568.7411 -222052.9388 164.0416 -512.3346 -2174.4009 921491.4634 -512.3346 -2174.4009
ENERGY: 466 19088.4509 19708.3581 5733.2107 180.2808 -335443.7729 23245.0605 0.0000 0.0000 45020.7913 -222467.6206 163.7733 -267488.4119 -222052.9785 163.7733 -630.3313 -2182.6711 921491.4634 -630.3313 -2182.6711
ENERGY: 467 19841.8068 19783.1740 5727.6704 179.7757 -335721.0954 23249.4530 0.0000 0.0000 44523.6672 -222415.5482 161.9649 -266939.2154 -222054.3494 161.9649 -1393.6028 -2232.5924 921491.4634 -1393.6028 -2232.5924
ENERGY: 468 20761.8481 19845.4939 5721.5089 179.2779 -336451.5673 23265.8126 0.0000 0.0000 44291.6592 -222385.9667 161.1209 -266677.6259 -222056.3594 161.1209 -2508.6714 -2314.1342 921491.4634 -2508.6714 -2314.1342
ENERGY: 469 21236.3017 19910.2018 5715.6824 178.8504 -337458.3209 23284.3962 0.0000 0.0000 44720.3208 -222412.5676 162.6802 -267132.8884 -222046.0754 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 21411.1734 19972.8931 5710.9491 178.5947 -338383.2516 23297.0673 0.0000 0.0000 45346.4579 -222466.1160 164.9580 -267812.5739 -222047.6092 164.9580 -4259.6999 -2477.6833 921491.4634 -4259.6999 -2477.6833
ENERGY: 471 21732.8680 20054.6833 5707.9626 178.5890 -338913.2460 23297.5086 0.0000 0.0000 45471.3370 -222470.2974 165.4122 -267941.6344 -222047.5363 165.4122 -4290.5688 -2504.3177 921491.4634 -4290.5688 -2504.3177
ENERGY: 472 22081.2363 20161.5550 5707.0091 178.9047 -338870.6769 23279.4492 0.0000 0.0000 45028.5298 -222433.9928 163.8014 -267462.5226 -222059.5057 163.8014 -3659.7364 -2479.9184 921491.4634 -3659.7364 -2479.9184
ENERGY: 473 21866.1364 20289.3425 5707.9843 179.6165 -338307.7192 23240.7365 0.0000 0.0000 44634.5172 -222389.3858 162.3681 -267023.9031 -222043.8539 162.3681 -2556.3618 -2408.1658 921491.4634 -2556.3618 -2408.1658
ENERGY: 474 20842.9705 20372.0985 5710.2161 180.7466 -337438.4550 23189.2350 0.0000 0.0000 44733.2303 -222409.9581 162.7272 -267143.1884 -222041.2619 162.7272 -1295.5525 -2316.2728 921491.4634 -1295.5525 -2316.2728
ENERGY: 475 19674.2080 20371.7672 5712.9876 182.2512 -336604.2309 23142.3820 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 19235.7860 20282.0272 5715.7683 184.0125 -336100.0901 23115.8468 0.0000 0.0000 45106.0628 -222460.5864 164.0835 -267566.6493 -222053.6141 164.0835 -92.4048 -2183.0653 921491.4634 -92.4048 -2183.0653
ENERGY: 477 19704.7247 20145.9810 5718.4976 185.9230 -336101.8786 23114.2941 0.0000 0.0000 44812.3203 -222420.1378 163.0149 -267232.4581 -222044.8414 163.0149 -667.4944 -2171.8229 921491.4634 -667.4944 -2171.8229
ENERGY: 478 20493.4774 19974.7635 5721.0254 187.7262 -336537.4033 23131.2462 0.0000 0.0000 44627.0327 -222402.1318 162.3409 -267029.1644 -222047.4110 162.3409 -1807.1602 -2198.7956 921491.4634 -1807.1602 -2198.7956
ENERGY: 479 21125.3057 19793.3954 5723.3295 189.2099 -337215.5835 23156.6774 0.0000 0.0000 44802.1570 -222425.5086 162.9779 -267227.6656 -222050.5463 162.9779 -3089.8516 -2246.7918 921491.4634 -3089.8516 -2246.7918
TIMING: 480 CPU: 225.33, 0.458217/step Wall: 225.33, 0.458217/step, 0.00254565 hours remaining, 3224.410156 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 21624.0328 19623.1964 5725.3111 190.1901 -337854.6782 23181.5121 0.0000 0.0000 45051.6806 -222458.7553 163.8856 -267510.4358 -222064.6212 163.8856 -4077.7328 -2291.4892 921491.4634 -4077.7328 -2291.4892
ENERGY: 481 22092.4854 19510.0434 5727.0952 190.6351 -338199.2479 23196.7962 0.0000 0.0000 45041.3359 -222440.8565 163.8480 -267482.1925 -222052.5268 163.8480 -4466.2396 -2305.6733 921491.4634 -4466.2396 -2305.6733
ENERGY: 482 22186.3468 19466.6796 5728.4964 190.3598 -338044.5417 23192.7477 0.0000 0.0000 44865.8512 -222414.0603 163.2096 -267279.9114 -222051.4115 163.2096 -4059.3101 -2278.0616 921491.4634 -4059.3101 -2278.0616
ENERGY: 483 21553.1413 19511.5747 5729.5660 189.3227 -337426.2185 23165.8743 0.0000 0.0000 44861.8962 -222414.8432 163.1952 -267276.7394 -222048.7675 163.1952 -2964.1725 -2216.4117 921491.4634 -2964.1725 -2216.4117
ENERGY: 484 20460.8926 19631.1941 5730.2465 187.5455 -336590.8881 23126.1355 0.0000 0.0000 45003.6025 -222451.2716 163.7107 -267454.8740 -222059.8741 163.7107 -1565.2423 -2143.1849 921491.4634 -1565.2423 -2143.1849
ENERGY: 485 19688.7720 19800.2993 5730.5256 185.2458 -335902.5864 23092.8474 0.0000 0.0000 44955.5720 -222449.3244 163.5360 -267404.8964 -222045.9604 163.5360 -422.1567 -2086.8734 921491.4634 -422.1567 -2086.8734
ENERGY: 486 19602.5425 19954.8177 5729.7197 182.4662 -335612.3568 23080.3811 0.0000 0.0000 44645.9115 -222416.5180 162.4096 -267062.4296 -222044.6759 162.4096 87.3183 -2070.0981 921491.4634 87.3183 -2070.0981
ENERGY: 487 19881.0924 20072.0213 5727.4347 179.4360 -335846.4485 23091.0548 0.0000 0.0000 44503.3495 -222392.0598 161.8910 -266895.4093 -222045.2405 161.8910 -192.2344 -2106.8840 921491.4634 -192.2344 -2106.8840
ENERGY: 488 20125.2098 20156.1362 5723.5441 176.4338 -336552.5459 23118.8620 0.0000 0.0000 44827.0560 -222425.3041 163.0685 -267252.3601 -222057.1938 163.0685 -1145.7533 -2194.6680 921491.4634 -1145.7533 -2194.6680
ENERGY: 489 20526.8873 20236.4610 5718.5748 173.8639 -337540.4665 23156.7314 0.0000 0.0000 45266.1007 -222461.8473 164.6656 -267727.9480 -222045.6085 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 21410.7492 20292.9024 5712.8912 171.8438 -338458.1372 23196.4881 0.0000 0.0000 45213.5632 -222459.6993 164.4745 -267673.2625 -222048.2207 164.4745 -3823.4041 -2437.4156 921491.4634 -3823.4041 -2437.4156
ENERGY: 491 22430.4641 20312.1364 5707.3795 170.5404 -338984.5805 23226.0941 0.0000 0.0000 44733.0093 -222404.9568 162.7264 -267137.9661 -222049.4638 162.7264 -4629.6938 -2524.6216 921491.4634 -4629.6938 -2524.6216
ENERGY: 492 22612.9547 20289.6815 5702.9944 170.0208 -338937.5830 23232.7209 0.0000 0.0000 44542.1955 -222387.0153 162.0323 -266929.2108 -222060.3862 162.0323 -4606.8529 -2557.4732 921491.4634 -4606.8529 -2557.4732
ENERGY: 493 21558.2187 20260.7378 5700.7779 170.3200 -338358.0645 23214.0540 0.0000 0.0000 45033.8233 -222420.1328 163.8207 -267453.9561 -222046.5903 163.8207 -3796.3823 -2540.0999 921491.4634 -3796.3823 -2540.0999
ENERGY: 494 20068.3365 20225.0264 5700.9805 171.2193 -337454.3845 23183.0798 0.0000 0.0000 45622.2478 -222483.4941 165.9612 -268105.7419 -222044.0870 165.9612 -2500.8996 -2482.1071 921491.4634 -2500.8996 -2482.1071
ENERGY: 495 19383.2461 20186.8303 5703.5926 172.5416 -336566.9894 23159.4628 0.0000 0.0000 45484.1234 -222477.1927 165.4587 -267961.3161 -222041.5565 165.4587 -1249.6839 -2407.3058 921491.4634 -1249.6839 -2407.3058
ENERGY: 496 19722.4831 20130.6472 5708.0350 174.0933 -335998.7160 23154.2638 0.0000 0.0000 44699.5274 -222409.6660 162.6046 -267109.1934 -222049.0671 162.6046 -478.8997 -2343.4752 921491.4634 -478.8997 -2343.4752
ENERGY: 497 20212.6666 20059.9175 5713.4613 175.7242 -335952.5046 23166.3548 0.0000 0.0000 44261.0291 -222363.3511 161.0095 -266624.3802 -222042.7501 161.0095 -421.0231 -2316.7929 921491.4634 -421.0231 -2316.7929
ENERGY: 498 20182.0165 19957.1213 5718.5596 177.2604 -336366.4936 23189.3588 0.0000 0.0000 44728.2536 -222413.9234 162.7091 -267142.1770 -222044.5220 162.7091 -993.4678 -2331.6474 921491.4634 -993.4678 -2331.6474
ENERGY: 499 20158.0680 19847.7306 5722.4089 178.6361 -337058.4826 23219.2406 0.0000 0.0000 45439.2644 -222493.1340 165.2956 -267932.3983 -222047.2063 165.2956 -2020.8687 -2376.3391 921491.4634 -2020.8687 -2376.3391
Info: Benchmark time: 4 CPUs 0.457797 s/step 5.29857 days/ns 3224.41 MB memory
TIMING: 500 CPU: 234.422, 0.454592/step Wall: 234.422, 0.454592/step, 0 hours remaining, 3224.410156 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 19756.6582 5724.4523 179.8271 -337741.4196 23251.1010 0.0000 0.0000 45359.0776 -222495.4094 165.0039 -267854.4870 -222061.0912 165.0039 -3197.5170 -2425.4144 921491.4634 -3197.5170 -2425.4144
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, 3230.020 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3230.020 MB of memory in use
====================================================
WallClock: 241.504547 CPUTime: 241.504547 Memory: 3230.019531 MB
[Partition 0][Node 0] End of program
Application 87723354 resources: utime ~949s, stime ~19s, Rss ~127196, inblocks ~67012, outblocks ~72238
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins8087934774352183703.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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