Skipping 716 KB..
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 54.2063
LDB: Largest compute 200 load 0.429868 is 1.2% of average load 36.761350
LDB: Average compute 0.051493 is 0.1% of average load 36.761350
LDB: Partitioning computes with target load 3.676135
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055523
LDB: ============== END OF LOAD BALANCING =============== 54.2085
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2094
Info: Initial time: 4 CPUs 0.472895 s/step 5.47333 days/ns 3221.5 MB memory
TIMING: 100 CPU: 48.2622, 0.472041/step Wall: 48.2622, 0.472041/step, 0.052449 hours remaining, 3221.496094 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 ============== 63.6303
LDB: ============== END OF LOAD BALANCING =============== 63.6304
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.6309
TIMING: 120 CPU: 57.6822, 0.471001/step Wall: 57.6822, 0.471001/step, 0.0497168 hours remaining, 3221.726562 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 21874.8523 19195.4803 5730.8549 192.8766 -333203.4344 21083.5324 0.0000 0.0000 42784.9639 -222340.8739 155.6399 -265125.8378 -222213.1815 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.0944, 0.470609/step Wall: 67.0944, 0.470609/step, 0.0470609 hours remaining, 3221.945312 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 150 21015.8994 19956.3835 5767.3089 192.0924 -334899.3754 20845.5771 0.0000 0.0000 44606.5897 -222515.5244 162.2665 -267122.1141 -222153.2666 162.2665 -4472.9375 -2881.9211 921491.4634 -4472.9375 -2881.9211
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TIMING: 160 CPU: 76.4956, 0.47006/step Wall: 76.4956, 0.47006/step, 0.0443946 hours remaining, 3222.160156 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 178 21917.7899 18733.9560 5737.6245 154.5770 -332975.2976 21015.2132 0.0000 0.0000 43101.1546 -222314.9824 156.7902 -265416.1370 -222126.1321 156.7902 -2936.2256 -2665.7683 921491.4634 -2936.2256 -2665.7683
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TIMING: 180 CPU: 85.8853, 0.469483/step Wall: 85.8853, 0.469483/step, 0.0417318 hours remaining, 3222.160156 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 101.23
LDB: Largest compute 200 load 0.425884 is 1.2% of average load 36.584480
LDB: Average compute 0.051238 is 0.1% of average load 36.584480
LDB: TIME 101.232 LOAD: AVG 36.5845 MAX 37.5992 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.54 MB
LDB: TIME 101.234 LOAD: AVG 36.5845 MAX 37.4248 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.54 MB
LDB: ============== END OF LOAD BALANCING =============== 101.236
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.239
Info: Initial time: 4 CPUs 0.470182 s/step 5.44192 days/ns 3223.4 MB memory
TIMING: 200 CPU: 95.2903, 0.470251/step Wall: 95.2903, 0.470251/step, 0.0391876 hours remaining, 3223.402344 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: 104.697, 0.470325/step Wall: 104.697, 0.470325/step, 0.0365808 hours remaining, 3223.402344 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: 114.098, 0.47005/step Wall: 114.098, 0.47005/step, 0.033948 hours remaining, 3223.402344 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 -334213.1207 21705.0851 0.0000 0.0000 43600.4183 -222284.3178 158.6063 -265884.7361 -222067.4295 158.6063 -1173.7928 -2523.3912 921491.4634 -1173.7928 -2523.3912
ENERGY: 247 19868.5287 19979.6440 5712.7400 177.5412 -334802.1844 21719.8455 0.0000 0.0000 44912.1913 -222431.6937 163.3782 -267343.8849 -222068.1394 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4925 20164.4297 5713.8450 181.3144 -335623.1355 21746.4311 0.0000 0.0000 46185.9363 -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 18950.9579 5693.4518 195.6570 -332975.5974 21757.6849 0.0000 0.0000 43181.1612 -222297.2438 157.0812 -265478.4050 -222071.2739 157.0812 -2042.2407 -2664.5198 921491.4634 -2042.2407 -2664.5198
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ENERGY: 258 19453.5867 18882.0667 5673.2911 193.6684 -334373.1546 21817.5079 0.0000 0.0000 45796.2578 -222556.7762 166.5942 -268353.0340 -222062.0608 166.5942 -2331.2327 -2737.1920 921491.4634 -2331.2327 -2737.1920
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TIMING: 260 CPU: 123.484, 0.469316/step Wall: 123.484, 0.469316/step, 0.0312877 hours remaining, 3223.707031 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 19385.2260 20436.4304 5710.6950 187.5052 -334855.9511 21907.7774 0.0000 0.0000 44751.4784 -222476.8387 162.7936 -267228.3171 -222069.1982 162.7936 -2191.1926 -2723.5293 921491.4634 -2191.1926 -2723.5293
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ENERGY: 268 19962.9159 20375.7517 5700.1930 187.9286 -335513.7449 21959.1259 0.0000 0.0000 44823.5375 -222504.2923 163.0557 -267327.8299 -222075.9874 163.0557 -2903.2123 -2658.6180 921491.4634 -2903.2123 -2658.6180
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 278 20199.4576 19713.7760 5686.9122 183.6585 -334821.1001 22041.3360 0.0000 0.0000 44532.2540 -222463.7059 161.9961 -266995.9599 -222063.4128 161.9961 -3254.8155 -2593.7695 921491.4634 -3254.8155 -2593.7695
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TIMING: 280 CPU: 132.863, 0.468932/step Wall: 132.863, 0.468932/step, 0.0286569 hours remaining, 3223.707031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 286 19396.6309 20966.5624 5721.5031 185.8230 -334658.1151 22176.6864 0.0000 0.0000 43785.6881 -222425.2213 159.2803 -266210.9094 -222054.0583 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 ============== 148.212
LDB: Largest compute 200 load 0.519169 is 1.1% of average load 45.664471
LDB: Average compute 0.063951 is 0.1% of average load 45.664471
LDB: TIME 148.214 LOAD: AVG 45.6645 MAX 46.9731 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.1 MB
LDB: TIME 148.215 LOAD: AVG 45.6645 MAX 46.9731 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.1 MB
LDB: TIME 148.23 LOAD: AVG 45.6645 MAX 46.1879 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.1 MB
LDB: ============== END OF LOAD BALANCING =============== 148.231
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.233
Info: Initial time: 4 CPUs 0.46939 s/step 5.43276 days/ns 3224.1 MB memory
TIMING: 300 CPU: 142.25, 0.469359/step Wall: 142.25, 0.469359/step, 0.0260755 hours remaining, 3224.101562 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: 151.453, 0.460134/step Wall: 151.453, 0.460134/step, 0.0230067 hours remaining, 3224.101562 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: 160.648, 0.459765/step Wall: 160.648, 0.459765/step, 0.020434 hours remaining, 3224.101562 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: 169.834, 0.459286/step Wall: 169.834, 0.459286/step, 0.0178611 hours remaining, 3224.101562 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 -336175.1996 22790.5192 0.0000 0.0000 46034.3490 -222532.9308 167.4603 -268567.2798 -222068.5913 167.4603 -1420.0425 -2476.3756 921491.4634 -1420.0425 -2476.3756
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ENERGY: 368 20561.5937 19748.2119 5739.6691 179.8275 -335728.0875 22808.6653 0.0000 0.0000 44272.8410 -222417.2791 161.0524 -266690.1201 -222068.2910 161.0524 -2928.4885 -2487.3069 921491.4634 -2928.4885 -2487.3069
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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 20646.4608 20251.1592 5706.5521 182.3248 -335763.5804 22794.3776 0.0000 0.0000 43848.2757 -222334.4302 159.5080 -266182.7058 -222041.4012 159.5080 -1819.5856 -2472.4985 921491.4634 -1819.5856 -2472.4985
ENERGY: 378 20473.8099 20495.6594 5711.4639 183.2952 -336584.2281 22821.5839 0.0000 0.0000 44474.7538 -222423.6620 161.7869 -266898.4159 -222044.3966 161.7869 -2972.9872 -2523.3498 921491.4634 -2972.9872 -2523.3498
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TIMING: 380 CPU: 179.015, 0.459086/step Wall: 179.015, 0.459086/step, 0.0153029 hours remaining, 3224.101562 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 19596.0352 5710.5349 179.0647 -336052.0487 22884.2536 0.0000 0.0000 45539.1831 -222517.5657 165.6590 -268056.7488 -222062.0925 165.6590 -569.2378 -2166.9357 921491.4634 -569.2378 -2166.9357
ENERGY: 385 19327.8181 19356.8910 5707.7751 177.4354 -335210.6400 22871.6146 0.0000 0.0000 45299.7168 -222469.3889 164.7879 -267769.1057 -222051.0992 164.7879 215.3516 -2064.3636 921491.4634 215.3516 -2064.3636
ENERGY: 386 19981.2273 19220.9463 5707.6637 175.9384 -334865.1816 22880.7960 0.0000 0.0000 44519.8583 -222378.7515 161.9510 -266898.6098 -222051.0437 161.9510 122.6671 -2011.2427 921491.4634 122.6671 -2011.2427
ENERGY: 387 20367.2859 19202.4843 5710.9354 174.6759 -335109.8724 22905.2745 0.0000 0.0000 44377.1814 -222372.0349 161.4320 -266749.2162 -222053.0049 161.4320 -738.9584 -2019.1688 921491.4634 -738.9584 -2019.1688
ENERGY: 388 20282.3986 19280.0167 5717.2934 173.7038 -335824.1513 22938.2902 0.0000 0.0000 44972.7758 -222459.6727 163.5986 -267432.4486 -222067.4813 163.5986 -2063.8552 -2076.2819 921491.4634 -2063.8552 -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: 398 19692.8115 20133.3592 5716.9814 176.0456 -336812.3378 23014.0583 0.0000 0.0000 45592.7322 -222486.3496 165.8538 -268079.0818 -222045.7222 165.8538 -1710.2237 -2443.6966 921491.4634 -1710.2237 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 194.178
LDB: Largest compute 230 load 0.524095 is 1.1% of average load 45.606930
LDB: Average compute 0.063858 is 0.1% of average load 45.606930
LDB: TIME 194.18 LOAD: AVG 45.6069 MAX 45.9453 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.1 MB
LDB: TIME 194.18 LOAD: AVG 45.6069 MAX 45.9453 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.1 MB
LDB: TIME 194.181 LOAD: AVG 45.6069 MAX 45.9453 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.1 MB
LDB: ============== END OF LOAD BALANCING =============== 194.181
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.182
Info: Benchmark time: 4 CPUs 0.459394 s/step 5.31706 days/ns 3224.1 MB memory
TIMING: 400 CPU: 188.193, 0.458903/step Wall: 188.193, 0.458903/step, 0.0127473 hours remaining, 3224.101562 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 19835.9107 5715.8942 173.8391 -338107.6286 23109.6374 0.0000 0.0000 44436.8102 -222391.4889 161.6489 -266828.2991 -222049.2225 161.6489 -4939.3797 -2681.7026 921491.4634 -4939.3797 -2681.7026
ENERGY: 403 20784.9695 19778.4826 5715.7218 174.2695 -337239.9783 23077.8398 0.0000 0.0000 45225.5967 -222483.0983 164.5183 -267708.6951 -222046.6853 164.5183 -3613.5980 -2605.7430 921491.4634 -3613.5980 -2605.7430
ENERGY: 404 19687.5954 19735.4026 5713.8114 175.5084 -336169.1139 23038.2896 0.0000 0.0000 45313.8398 -222504.6667 164.8393 -267818.5065 -222060.2369 164.8393 -1967.0748 -2494.0440 921491.4634 -1967.0748 -2494.0440
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ENERGY: 408 19735.8470 19387.6644 5692.2152 187.5226 -335902.8219 23017.8169 0.0000 0.0000 45394.4126 -222487.3432 165.1324 -267881.7558 -222063.5311 165.1324 -920.8282 -2294.1557 921491.4634 -920.8282 -2294.1557
ENERGY: 409 20350.1188 19376.4607 5688.4775 191.1593 -336896.6847 23057.9918 0.0000 0.0000 45733.6063 -222498.8703 166.3663 -268232.4766 -222051.6704 166.3663 -2367.4922 -2346.9327 921491.4634 -2367.4922 -2346.9327
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 19470.1803 5687.6649 194.4179 -337813.1847 23106.2025 0.0000 0.0000 45077.0719 -222427.1260 163.9780 -267504.1979 -222054.6427 163.9780 -3838.6214 -2402.0241 921491.4634 -3838.6214 -2402.0241
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ENERGY: 413 21130.1418 20138.5249 5699.9334 199.7191 -337872.5320 23125.1114 0.0000 0.0000 45113.2148 -222465.8867 164.1095 -267579.1015 -222055.3450 164.1095 -3850.6270 -2398.9549 921491.4634 -3850.6270 -2398.9549
ENERGY: 414 19987.3858 20381.5507 5705.1135 199.5118 -337122.7799 23094.4556 0.0000 0.0000 45271.6532 -222483.1094 164.6858 -267754.7626 -222052.1621 164.6858 -2501.3242 -2333.9464 921491.4634 -2501.3242 -2333.9464
ENERGY: 415 19745.2668 20572.1259 5708.7452 198.1487 -336456.1975 23071.1990 0.0000 0.0000 44733.2277 -222427.4842 162.7272 -267160.7119 -222049.0343 162.7272 -1174.6452 -2266.5616 921491.4634 -1174.6452 -2266.5616
ENERGY: 416 19942.3170 20661.9896 5710.0857 195.6954 -336157.5867 23063.1714 0.0000 0.0000 44200.2854 -222384.0422 160.7885 -266584.3276 -222052.9645 160.7885 -282.7613 -2224.6898 921491.4634 -282.7613 -2224.6898
ENERGY: 417 20031.3749 20631.3210 5709.0494 192.4696 -336373.1080 23072.1098 0.0000 0.0000 44338.4623 -222398.3210 161.2911 -266736.7833 -222044.6994 161.2911 -112.4553 -2227.1700 921491.4634 -112.4553 -2227.1700
ENERGY: 418 20154.6648 20457.0910 5705.5847 188.6537 -336970.7873 23098.6727 0.0000 0.0000 44915.1426 -222450.9779 163.3889 -267366.1205 -222046.7093 163.3889 -671.8546 -2269.9921 921491.4634 -671.8546 -2269.9921
ENERGY: 419 20790.7631 20185.5524 5700.4810 184.6055 -337717.8762 23139.8024 0.0000 0.0000 45250.3104 -222466.3614 164.6082 -267716.6717 -222049.5951 164.6082 -1783.9422 -2336.6464 921491.4634 -1783.9422 -2336.6464
TIMING: 420 CPU: 197.349, 0.457797/step Wall: 197.349, 0.457797/step, 0.0101733 hours remaining, 3224.101562 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 19449.5349 5688.9976 174.4058 -338225.0318 23208.5478 0.0000 0.0000 45004.7086 -222423.0756 163.7148 -267427.7841 -222052.8448 163.7148 -4363.1152 -2465.6372 921491.4634 -4363.1152 -2465.6372
ENERGY: 423 21418.8987 19324.4273 5689.6736 172.2145 -337416.8960 23180.6043 0.0000 0.0000 45183.9714 -222447.1062 164.3669 -267631.0776 -222051.5231 164.3669 -3955.8306 -2434.9305 921491.4634 -3955.8306 -2434.9305
ENERGY: 424 20531.3311 19270.7817 5692.6542 170.6563 -336406.2771 23140.4650 0.0000 0.0000 45151.0457 -222449.3431 164.2471 -267600.3888 -222060.4128 164.2471 -3030.1609 -2370.2033 921491.4634 -3030.1609 -2370.2033
ENERGY: 425 19942.3362 19314.5610 5697.3263 169.6876 -335607.5213 23103.7924 0.0000 0.0000 44956.0479 -222423.7698 163.5377 -267379.8177 -222050.7964 163.5377 -1980.9653 -2297.0090 921491.4634 -1980.9653 -2297.0090
ENERGY: 426 19603.3347 19432.3072 5702.4947 169.0990 -335270.6883 23080.2897 0.0000 0.0000 44862.7383 -222420.4247 163.1983 -267283.1630 -222049.1090 163.1983 -1125.8050 -2237.7214 921491.4634 -1125.8050 -2237.7214
ENERGY: 427 19598.5316 19595.2901 5707.1504 168.7509 -335498.4326 23074.5012 0.0000 0.0000 44915.2773 -222438.9311 163.3894 -267354.2084 -222048.7339 163.3894 -741.9008 -2207.6354 921491.4634 -741.9008 -2207.6354
ENERGY: 428 20140.4228 19760.4173 5710.4628 168.5259 -336199.9858 23087.7683 0.0000 0.0000 44884.2592 -222448.1295 163.2766 -267332.3888 -222058.0548 163.2766 -935.5730 -2206.9583 921491.4634 -935.5730 -2206.9583
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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 20024.3739 5712.1700 168.1897 -338096.9210 23149.4499 0.0000 0.0000 44626.3096 -222402.4405 162.3382 -267028.7501 -222047.3914 162.3382 -2472.2455 -2268.0464 921491.4634 -2472.2455 -2268.0464
ENERGY: 431 22204.1023 20111.4154 5711.2600 168.0704 -338644.7649 23172.3811 0.0000 0.0000 44858.4627 -222419.0731 163.1828 -267277.5358 -222048.7168 163.1828 -3116.2804 -2293.5590 921491.4634 -3116.2804 -2293.5590
ENERGY: 432 21768.3705 20188.6725 5710.3547 168.1086 -338651.2104 23176.0852 0.0000 0.0000 45177.9907 -222461.6283 164.3451 -267639.6190 -222065.9056 164.3451 -3350.2741 -2296.1496 921491.4634 -3350.2741 -2296.1496
ENERGY: 433 21200.9073 20275.9664 5710.3763 168.4633 -338164.0640 23162.2917 0.0000 0.0000 45192.9281 -222453.1309 164.3995 -267646.0590 -222052.5980 164.3995 -3187.3732 -2272.1274 921491.4634 -3187.3732 -2272.1274
ENERGY: 434 20730.3414 20338.1499 5711.6061 169.3247 -337394.2705 23140.7742 0.0000 0.0000 44883.0994 -222420.9749 163.2724 -267304.0743 -222051.1460 163.2724 -2694.3106 -2227.7883 921491.4634 -2694.3106 -2227.7883
ENERGY: 435 20235.2201 20362.4015 5714.0003 170.8455 -336680.6556 23123.4104 0.0000 0.0000 44675.9836 -222398.7942 162.5189 -267074.7778 -222049.5886 162.5189 -2061.3581 -2179.8949 921491.4634 -2061.3581 -2179.8949
ENERGY: 436 19670.9242 20349.9982 5717.2345 173.0864 -336303.8815 23119.9085 0.0000 0.0000 44847.0981 -222425.6316 163.1414 -267272.7297 -222059.6958 163.1414 -1520.6597 -2145.1615 921491.4634 -1520.6597 -2145.1615
ENERGY: 437 19434.5515 20329.5093 5720.9893 175.9827 -336411.9789 23136.3875 0.0000 0.0000 45159.2686 -222455.2900 164.2770 -267614.5586 -222050.7502 164.2770 -1319.1167 -2134.4847 921491.4634 -1319.1167 -2134.4847
ENERGY: 438 19935.1532 20278.6096 5724.6884 179.3848 -336899.4582 23173.5526 0.0000 0.0000 45148.1323 -222459.9373 164.2365 -267608.0696 -222051.5667 164.2365 -1493.0940 -2145.0879 921491.4634 -1493.0940 -2145.0879
ENERGY: 439 21052.7408 20184.4297 5727.7929 183.0561 -337561.7726 23224.7489 0.0000 0.0000 44760.8210 -222428.1832 162.8276 -267189.0042 -222052.7965 162.8276 -1936.1987 -2169.8745 921491.4634 -1936.1987 -2169.8745
TIMING: 440 CPU: 206.496, 0.45734/step Wall: 206.496, 0.45734/step, 0.00762233 hours remaining, 3224.101562 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 20036.2373 5729.7527 186.7201 -338123.1813 23276.2493 0.0000 0.0000 44417.5458 -222405.1076 161.5788 -266822.6534 -222059.4770 161.5788 -2408.4610 -2197.9669 921491.4634 -2408.4610 -2197.9669
ENERGY: 441 22355.5488 19860.0411 5730.3488 190.1145 -338361.1722 23313.2052 0.0000 0.0000 44502.6964 -222409.2175 161.8886 -266911.9139 -222050.0856 161.8886 -2716.1025 -2221.5311 921491.4634 -2716.1025 -2221.5311
ENERGY: 442 21853.6119 19664.5351 5729.4854 192.9411 -338090.1540 23327.1575 0.0000 0.0000 44880.6320 -222441.7910 163.2634 -267322.4230 -222049.7752 163.2634 -2710.5573 -2229.0694 921491.4634 -2710.5573 -2229.0694
ENERGY: 443 21064.3317 19487.0725 5727.6165 194.9329 -337369.3157 23320.0165 0.0000 0.0000 45118.1107 -222457.2351 164.1273 -267575.3457 -222048.5992 164.1273 -2448.1646 -2220.3528 921491.4634 -2448.1646 -2220.3528
ENERGY: 444 20449.3364 19357.2692 5725.4095 195.8735 -336464.1930 23301.5283 0.0000 0.0000 44987.7175 -222447.0586 163.6530 -267434.7761 -222057.9795 163.6530 -2090.2098 -2206.4397 921491.4634 -2090.2098 -2206.4397
ENERGY: 445 20125.5609 19307.2520 5723.6513 195.6942 -335759.3921 23283.8146 0.0000 0.0000 44708.7151 -222414.7039 162.6380 -267123.4191 -222046.5426 162.6380 -1846.9625 -2201.6923 921491.4634 -1846.9625 -2201.6923
ENERGY: 446 19947.6806 19324.9007 5722.5430 194.3235 -335494.5714 23276.0458 0.0000 0.0000 44620.2941 -222408.7837 162.3164 -267029.0778 -222046.1618 162.3164 -1800.7516 -2216.7291 921491.4634 -1800.7516 -2216.7291
ENERGY: 447 19914.2848 19416.0211 5722.2107 191.8641 -335769.4404 23282.7465 0.0000 0.0000 44816.5084 -222425.8048 163.0301 -267242.3132 -222046.8341 163.0301 -1993.3110 -2253.0601 921491.4634 -1993.3110 -2253.0601
ENERGY: 448 20187.5922 19583.6800 5722.5765 188.5554 -336503.1805 23303.8911 0.0000 0.0000 45065.6670 -222451.2184 163.9365 -267516.8854 -222059.3479 163.9365 -2372.1876 -2303.7896 921491.4634 -2372.1876 -2303.7896
ENERGY: 449 20877.4061 19832.6985 5723.5713 184.8596 -337500.9074 23334.5930 0.0000 0.0000 45101.1673 -222446.6117 164.0657 -267547.7791 -222047.7098 164.0657 -2827.1078 -2356.1405 921491.4634 -2827.1078 -2356.1405
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 20108.1298 5724.4776 181.0898 -338419.3251 23364.6249 0.0000 0.0000 44854.3091 -222432.2084 163.1676 -267286.5176 -222048.7859 163.1676 -3116.6753 -2394.3894 921491.4634 -3116.6753 -2394.3894
ENERGY: 451 22355.5903 20357.7252 5724.7144 177.6517 -338952.0909 23381.8013 0.0000 0.0000 44542.6981 -222411.9098 162.0341 -266954.6080 -222048.8244 162.0341 -3074.2530 -2405.7795 921491.4634 -3074.2530 -2405.7795
ENERGY: 452 22246.2015 20536.0132 5723.8953 174.8859 -338927.1541 23378.0950 0.0000 0.0000 44452.9191 -222415.1441 161.7075 -266868.0632 -222059.6371 161.7075 -2659.9604 -2384.7567 921491.4634 -2659.9604 -2384.7567
ENERGY: 453 21399.8727 20641.1309 5722.2878 173.1350 -338392.7937 23354.5913 0.0000 0.0000 44683.7028 -222418.0731 162.5470 -267101.7760 -222043.5373 162.5470 -2048.3338 -2342.4667 921491.4634 -2048.3338 -2342.4667
ENERGY: 454 20248.3382 20654.1373 5720.2217 172.3637 -337567.1418 23320.6907 0.0000 0.0000 45008.1459 -222443.2443 163.7273 -267451.3902 -222041.8392 163.7273 -1453.4580 -2293.1450 921491.4634 -1453.4580 -2293.1450
ENERGY: 455 19486.7908 20584.7120 5718.4844 172.5169 -336790.6456 23290.4028 0.0000 0.0000 45086.5782 -222451.1604 164.0126 -267537.7387 -222040.8571 164.0126 -1151.8825 -2255.8571 921491.4634 -1151.8825 -2255.8571
ENERGY: 456 19493.3722 20440.6801 5717.7556 173.4248 -336350.1077 23274.9635 0.0000 0.0000 44811.4721 -222438.4394 163.0118 -267249.9115 -222055.3484 163.0118 -1305.5004 -2245.5822 921491.4634 -1305.5004 -2245.5822
ENERGY: 457 20047.4928 20251.9435 5718.5580 174.9241 -336395.8167 23277.8278 0.0000 0.0000 44521.8702 -222403.2001 161.9583 -266925.0703 -222049.4131 161.9583 -1906.4165 -2263.5012 921491.4634 -1906.4165 -2263.5012
ENERGY: 458 20585.8434 20019.2724 5720.7061 176.6081 -336835.0962 23294.7176 0.0000 0.0000 44632.7888 -222405.1598 162.3618 -267037.9486 -222051.2821 162.3618 -2684.6987 -2301.0427 921491.4634 -2684.6987 -2301.0427
ENERGY: 459 20903.4946 19784.9690 5724.0021 178.1985 -337468.1647 23318.6985 0.0000 0.0000 45113.9368 -222444.8651 164.1121 -267558.8019 -222053.1410 164.1121 -3350.5831 -2341.5796 921491.4634 -3350.5831 -2341.5796
TIMING: 460 CPU: 215.63, 0.456697/step Wall: 215.63, 0.456697/step, 0.00507441 hours remaining, 3224.101562 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 -338014.3772 23341.8003 0.0000 0.0000 45423.8568 -222480.6116 165.2395 -267904.4684 -222064.6835 165.2395 -3669.8202 -2365.2413 921491.4634 -3669.8202 -2365.2413
ENERGY: 461 21862.8763 19507.1077 5732.5753 180.4333 -338251.6221 23355.3936 0.0000 0.0000 45154.6141 -222458.6219 164.2601 -267613.2360 -222058.0506 164.2601 -3556.1666 -2361.1800 921491.4634 -3556.1666 -2361.1800
ENERGY: 462 22264.2256 19487.8111 5736.4823 180.9531 -337988.7174 23351.1086 0.0000 0.0000 44559.9295 -222408.2074 162.0968 -266968.1369 -222056.7214 162.0968 -2954.8201 -2323.4252 921491.4634 -2954.8201 -2323.4252
ENERGY: 463 21821.1792 19513.9018 5738.9361 181.1160 -337284.1032 23326.9476 0.0000 0.0000 44313.4573 -222388.5652 161.2002 -266702.0225 -222054.6242 161.2002 -2012.4425 -2264.0779 921491.4634 -2012.4425 -2264.0779
ENERGY: 464 20535.2462 19559.9274 5739.2518 181.0096 -336389.3844 23291.1939 0.0000 0.0000 44654.0268 -222428.7285 162.4391 -267082.7553 -222058.5729 162.4391 -1050.9229 -2205.5270 921491.4634 -1050.9229 -2205.5270
ENERGY: 465 19322.7830 19631.8856 5737.2899 180.7155 -335701.1536 23259.7388 0.0000 0.0000 45094.5689 -222474.1720 164.0416 -267568.7409 -222052.9388 164.0416 -512.3349 -2174.4010 921491.4634 -512.3349 -2174.4010
ENERGY: 466 19088.4512 19708.3582 5733.2107 180.2808 -335443.7726 23245.0600 0.0000 0.0000 45020.7910 -222467.6207 163.7733 -267488.4117 -222052.9786 163.7733 -630.3317 -2182.6712 921491.4634 -630.3317 -2182.6712
ENERGY: 467 19841.8070 19783.1742 5727.6704 179.7757 -335721.0949 23249.4525 0.0000 0.0000 44523.6668 -222415.5483 161.9649 -266939.2151 -222054.3495 161.9649 -1393.6032 -2232.5926 921491.4634 -1393.6032 -2232.5926
ENERGY: 468 20761.8482 19845.4940 5721.5089 179.2779 -336451.5660 23265.8120 0.0000 0.0000 44291.6589 -222385.9660 161.1209 -266677.6249 -222056.3588 161.1209 -2508.6715 -2314.1341 921491.4634 -2508.6715 -2314.1341
ENERGY: 469 21236.3016 19910.2018 5715.6824 178.8504 -337458.3194 23284.3956 0.0000 0.0000 44720.3206 -222412.5670 162.6802 -267132.8876 -222046.0748 162.6802 -3596.7407 -2405.7973 921491.4634 -3596.7407 -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 21411.1731 19972.8930 5710.9491 178.5947 -338383.2499 23297.0666 0.0000 0.0000 45346.4579 -222466.1154 164.9580 -267812.5733 -222047.6086 164.9580 -4259.6997 -2477.6833 921491.4634 -4259.6997 -2477.6833
ENERGY: 471 21732.8677 20054.6831 5707.9626 178.5890 -338913.2443 23297.5078 0.0000 0.0000 45471.3372 -222470.2968 165.4122 -267941.6340 -222047.5357 165.4122 -4290.5685 -2504.3177 921491.4634 -4290.5685 -2504.3177
ENERGY: 472 22081.2360 20161.5547 5707.0091 178.9047 -338870.6760 23279.4484 0.0000 0.0000 45028.5302 -222433.9929 163.8014 -267462.5231 -222059.5057 163.8014 -3659.7363 -2479.9186 921491.4634 -3659.7363 -2479.9186
ENERGY: 473 21866.1362 20289.3422 5707.9843 179.6165 -338307.7185 23240.7357 0.0000 0.0000 44634.5179 -222389.3859 162.3681 -267023.9037 -222043.8539 162.3681 -2556.3618 -2408.1660 921491.4634 -2556.3618 -2408.1660
ENERGY: 474 20842.9704 20372.0982 5710.2160 180.7466 -337438.4547 23189.2341 0.0000 0.0000 44733.2312 -222409.9581 162.7272 -267143.1893 -222041.2619 162.7272 -1295.5528 -2316.2730 921491.4634 -1295.5528 -2316.2730
ENERGY: 475 19674.2080 20371.7670 5712.9876 182.2512 -336604.2308 23142.3811 0.0000 0.0000 45070.2144 -222450.4216 163.9531 -267520.6360 -222039.4529 163.9531 -344.6452 -2232.2128 921491.4634 -344.6452 -2232.2128
ENERGY: 476 19235.7862 20282.0271 5715.7683 184.0125 -336100.0897 23115.8459 0.0000 0.0000 45106.0639 -222460.5858 164.0835 -267566.6497 -222053.6134 164.0835 -92.4051 -2183.0654 921491.4634 -92.4051 -2183.0654
ENERGY: 477 19704.7250 20145.9811 5718.4976 185.9230 -336101.8785 23114.2932 0.0000 0.0000 44812.3215 -222420.1371 163.0149 -267232.4586 -222044.8407 163.0149 -667.4948 -2171.8230 921491.4634 -667.4948 -2171.8230
ENERGY: 478 20493.4777 19974.7637 5721.0254 187.7262 -336537.4033 23131.2454 0.0000 0.0000 44627.0339 -222402.1311 162.3409 -267029.1650 -222047.4103 162.3409 -1807.1605 -2198.7958 921491.4634 -1807.1605 -2198.7958
ENERGY: 479 21125.3060 19793.3956 5723.3295 189.2098 -337215.5837 23156.6765 0.0000 0.0000 44802.1583 -222425.5079 162.9779 -267227.6662 -222050.5456 162.9779 -3089.8517 -2246.7919 921491.4634 -3089.8517 -2246.7919
TIMING: 480 CPU: 224.76, 0.45648/step Wall: 224.76, 0.45648/step, 0.002536 hours remaining, 3224.101562 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 21624.0329 19623.1965 5725.3111 190.1900 -337854.6786 23181.5112 0.0000 0.0000 45051.6820 -222458.7548 163.8856 -267510.4368 -222064.6208 163.8856 -4077.7327 -2291.4893 921491.4634 -4077.7327 -2291.4893
ENERGY: 481 22092.4855 19510.0435 5727.0953 190.6351 -338199.2483 23196.7953 0.0000 0.0000 45041.3375 -222440.8561 163.8480 -267482.1935 -222052.5263 163.8480 -4466.2395 -2305.6734 921491.4634 -4466.2395 -2305.6734
ENERGY: 482 22186.3468 19466.6797 5728.4964 190.3598 -338044.5420 23192.7469 0.0000 0.0000 44865.8527 -222414.0598 163.2096 -267279.9125 -222051.4110 163.2096 -4059.3099 -2278.0617 921491.4634 -4059.3099 -2278.0617
ENERGY: 483 21553.1414 19511.5748 5729.5660 189.3226 -337426.2187 23165.8735 0.0000 0.0000 44861.8976 -222414.8427 163.1953 -267276.7403 -222048.7670 163.1953 -2964.1725 -2216.4118 921491.4634 -2964.1725 -2216.4118
ENERGY: 484 20460.8926 19631.1942 5730.2465 187.5455 -336590.8885 23126.1346 0.0000 0.0000 45003.6037 -222451.2714 163.7107 -267454.8751 -222059.8739 163.7107 -1565.2427 -2143.1851 921491.4634 -1565.2427 -2143.1851
ENERGY: 485 19688.7721 19800.2993 5730.5256 185.2458 -335902.5866 23092.8465 0.0000 0.0000 44955.5731 -222449.3242 163.5360 -267404.8973 -222045.9602 163.5360 -422.1571 -2086.8737 921491.4634 -422.1571 -2086.8737
ENERGY: 486 19602.5426 19954.8177 5729.7198 182.4662 -335612.3567 23080.3802 0.0000 0.0000 44645.9123 -222416.5178 162.4096 -267062.4301 -222044.6757 162.4096 87.3179 -2070.0983 921491.4634 87.3179 -2070.0983
ENERGY: 487 19881.0925 20072.0214 5727.4348 179.4360 -335846.4481 23091.0540 0.0000 0.0000 44503.3499 -222392.0596 161.8910 -266895.4096 -222045.2404 161.8910 -192.2347 -2106.8842 921491.4634 -192.2347 -2106.8842
ENERGY: 488 20125.2099 20156.1362 5723.5441 176.4338 -336552.5456 23118.8612 0.0000 0.0000 44827.0562 -222425.3042 163.0685 -267252.3604 -222057.1940 163.0685 -1145.7535 -2194.6682 921491.4634 -1145.7535 -2194.6682
ENERGY: 489 20526.8873 20236.4609 5718.5749 173.8639 -337540.4660 23156.7307 0.0000 0.0000 45266.1009 -222461.8474 164.6656 -267727.9483 -222045.6087 164.6656 -2511.2406 -2316.7068 921491.4634 -2511.2406 -2316.7068
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7492 20292.9021 5712.8912 171.8438 -338458.1366 23196.4875 0.0000 0.0000 45213.5633 -222459.6995 164.4745 -267673.2628 -222048.2209 164.4745 -3823.4039 -2437.4156 921491.4634 -3823.4039 -2437.4156
ENERGY: 491 22430.4642 20312.1359 5707.3795 170.5404 -338984.5798 23226.0935 0.0000 0.0000 44733.0093 -222404.9570 162.7264 -267137.9663 -222049.4640 162.7264 -4629.6935 -2524.6216 921491.4634 -4629.6935 -2524.6216
ENERGY: 492 22612.9549 20289.6808 5702.9944 170.0208 -338937.5818 23232.7204 0.0000 0.0000 44542.1954 -222387.0150 162.0323 -266929.2105 -222060.3860 162.0323 -4606.8526 -2557.4731 921491.4634 -4606.8526 -2557.4731
ENERGY: 493 21558.2189 20260.7371 5700.7779 170.3201 -338358.0634 23214.0536 0.0000 0.0000 45033.8232 -222420.1325 163.8207 -267453.9558 -222046.5900 163.8207 -3796.3821 -2540.0997 921491.4634 -3796.3821 -2540.0997
ENERGY: 494 20068.3367 20225.0258 5700.9806 171.2193 -337454.3834 23183.0795 0.0000 0.0000 45622.2477 -222483.4939 165.9612 -268105.7416 -222044.0867 165.9612 -2500.8994 -2482.1069 921491.4634 -2500.8994 -2482.1069
ENERGY: 495 19383.2462 20186.8299 5703.5926 172.5416 -336566.9885 23159.4625 0.0000 0.0000 45484.1232 -222477.1925 165.4587 -267961.3157 -222041.5563 165.4587 -1249.6839 -2407.3056 921491.4634 -1249.6839 -2407.3056
ENERGY: 496 19722.4832 20130.6471 5708.0350 174.0933 -335998.7153 23154.2636 0.0000 0.0000 44699.5271 -222409.6659 162.6046 -267109.1930 -222049.0669 162.6046 -478.8998 -2343.4751 921491.4634 -478.8998 -2343.4751
ENERGY: 497 20212.6667 20059.9175 5713.4613 175.7242 -335952.5039 23166.3547 0.0000 0.0000 44261.0287 -222363.3509 161.0095 -266624.3796 -222042.7499 161.0095 -421.0231 -2316.7928 921491.4634 -421.0231 -2316.7928
ENERGY: 498 20182.0164 19957.1216 5718.5596 177.2604 -336366.4930 23189.3587 0.0000 0.0000 44728.2531 -222413.9232 162.7091 -267142.1763 -222044.5219 162.7091 -993.4677 -2331.6472 921491.4634 -993.4677 -2331.6472
ENERGY: 499 20158.0678 19847.7310 5722.4089 178.6361 -337058.4821 23219.2406 0.0000 0.0000 45439.2640 -222493.1338 165.2956 -267932.3978 -222047.2061 165.2956 -2020.8685 -2376.3389 921491.4634 -2020.8685 -2376.3389
Info: Benchmark time: 4 CPUs 0.456192 s/step 5.28 days/ns 3224.1 MB memory
TIMING: 500 CPU: 233.813, 0.452654/step Wall: 233.813, 0.452654/step, 0 hours remaining, 3224.101562 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 20974.8936 19756.6585 5724.4523 179.8271 -337741.4190 23251.1011 0.0000 0.0000 45359.0773 -222495.4090 165.0039 -267854.4863 -222061.0908 165.0039 -3197.5165 -2425.4141 921491.4634 -3197.5165 -2425.4141
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, 3229.355 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.355 MB of memory in use
====================================================
WallClock: 240.687408 CPUTime: 240.687408 Memory: 3229.355469 MB
[Partition 0][Node 0] End of program
Application 88071993 resources: utime ~947s, stime ~18s, Rss ~126620, inblocks ~67176, outblocks ~72238
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins2263668389240300447.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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