Skipping 712 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 ============== 54.3775
LDB: Largest compute 200 load 0.429908 is 1.2% of average load 36.785911
LDB: Average compute 0.051527 is 0.1% of average load 36.785911
LDB: Partitioning computes with target load 3.678591
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055168
LDB: ============== END OF LOAD BALANCING =============== 54.3796
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.3805
Info: Initial time: 4 CPUs 0.474819 s/step 5.49559 days/ns 3221.58 MB memory
TIMING: 100 CPU: 48.4551, 0.473752/step Wall: 48.4551, 0.473752/step, 0.0526391 hours remaining, 3221.582031 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 ============== 63.838
LDB: ============== END OF LOAD BALANCING =============== 63.838
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.8385
TIMING: 120 CPU: 57.911, 0.472798/step Wall: 57.911, 0.472798/step, 0.0499064 hours remaining, 3221.730469 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 21874.8524 19195.4801 5730.8549 192.8766 -333203.4344 21083.5324 0.0000 0.0000 42784.9638 -222340.8742 155.6399 -265125.8380 -222213.1818 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.3636, 0.472629/step Wall: 67.3636, 0.472629/step, 0.0472629 hours remaining, 3222.027344 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: 160 CPU: 76.805, 0.472073/step Wall: 76.805, 0.472073/step, 0.0445846 hours remaining, 3222.167969 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: 180 CPU: 86.2356, 0.47153/step Wall: 86.2356, 0.47153/step, 0.0419138 hours remaining, 3222.308594 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 ============== 101.593
LDB: Largest compute 200 load 0.424937 is 1.2% of average load 36.607885
LDB: Average compute 0.051277 is 0.1% of average load 36.607885
LDB: TIME 101.595 LOAD: AVG 36.6079 MAX 37.754 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.62 MB
LDB: TIME 101.597 LOAD: AVG 36.6079 MAX 37.5559 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.62 MB
LDB: ============== END OF LOAD BALANCING =============== 101.598
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.602
Info: Initial time: 4 CPUs 0.472033 s/step 5.46335 days/ns 3223.28 MB memory
TIMING: 200 CPU: 95.6683, 0.471632/step Wall: 95.6683, 0.471632/step, 0.0393027 hours remaining, 3223.281250 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: 105.09, 0.471085/step Wall: 105.09, 0.471085/step, 0.0366399 hours remaining, 3223.281250 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: 114.494, 0.470212/step Wall: 114.494, 0.470212/step, 0.0339598 hours remaining, 3223.410156 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: 246 20878.5480 19853.7024 5716.8932 174.1558 -334213.1204 21705.0849 0.0000 0.0000 43600.4180 -222284.3181 158.6063 -265884.7361 -222067.4298 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5286 19979.6439 5712.7400 177.5412 -334802.1840 21719.8453 0.0000 0.0000 44912.1910 -222431.6940 163.3782 -267343.8850 -222068.1397 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
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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: 258 19453.5867 18882.0666 5673.2911 193.6684 -334373.1543 21817.5076 0.0000 0.0000 45796.2579 -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: 123.902, 0.470404/step Wall: 123.902, 0.470404/step, 0.0313603 hours remaining, 3223.769531 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 19385.2261 20436.4306 5710.6950 187.5052 -334855.9513 21907.7771 0.0000 0.0000 44751.4783 -222476.8390 162.7936 -267228.3173 -222069.1985 162.7936 -2191.1928 -2723.5294 921491.4634 -2191.1928 -2723.5294
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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 20199.4577 19713.7761 5686.9122 183.6585 -334821.1005 22041.3357 0.0000 0.0000 44532.2541 -222463.7062 161.9961 -266995.9603 -222063.4132 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
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TIMING: 280 CPU: 133.292, 0.469464/step Wall: 133.292, 0.469464/step, 0.0286895 hours remaining, 3223.769531 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 ============== 148.631
LDB: Largest compute 200 load 0.517785 is 1.1% of average load 45.738188
LDB: Average compute 0.064059 is 0.1% of average load 45.738188
LDB: TIME 148.633 LOAD: AVG 45.7382 MAX 47.0292 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.19 MB
LDB: TIME 148.634 LOAD: AVG 45.7382 MAX 47.0292 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.19 MB
LDB: TIME 148.65 LOAD: AVG 45.7382 MAX 46.261 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.19 MB
LDB: ============== END OF LOAD BALANCING =============== 148.65
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.652
Info: Initial time: 4 CPUs 0.470008 s/step 5.43991 days/ns 3224.19 MB memory
TIMING: 300 CPU: 142.69, 0.469942/step Wall: 142.69, 0.469942/step, 0.0261079 hours remaining, 3224.191406 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: 151.912, 0.46107/step Wall: 151.912, 0.46107/step, 0.0230535 hours remaining, 3224.191406 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: 161.127, 0.460772/step Wall: 161.127, 0.460772/step, 0.0204788 hours remaining, 3224.191406 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: 170.337, 0.460494/step Wall: 170.337, 0.460494/step, 0.0179081 hours remaining, 3224.191406 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 19323.8975 19612.6015 5699.8913 181.0103 -336175.1994 22790.5188 0.0000 0.0000 46034.3488 -222532.9312 167.4603 -268567.2800 -222068.5917 167.4603 -1420.0426 -2476.3757 921491.4634 -1420.0426 -2476.3757
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ENERGY: 368 20561.5937 19748.2121 5739.6691 179.8275 -335728.0876 22808.6648 0.0000 0.0000 44272.8408 -222417.2796 161.0524 -266690.1204 -222068.2915 161.0524 -2928.4887 -2487.3071 921491.4634 -2928.4887 -2487.3071
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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: 370 21302.3705 19815.7284 5738.6028 179.1429 -337296.0558 22846.3046 0.0000 0.0000 44920.4946 -222493.4119 163.4084 -267413.9065 -222062.2628 163.4084 -4081.4436 -2576.8191 921491.4634 -4081.4436 -2576.8191
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ENERGY: 376 19884.0273 19962.1765 5703.2011 181.1433 -335321.8634 22772.8698 0.0000 0.0000 44434.3278 -222384.1176 161.6399 -266818.4454 -222050.5530 161.6399 -874.6222 -2439.6903 921491.4634 -874.6222 -2439.6903
ENERGY: 377 20646.4608 20251.1594 5706.5522 182.3248 -335763.5803 22794.3771 0.0000 0.0000 43848.2756 -222334.4303 159.5080 -266182.7059 -222041.4013 159.5080 -1819.5858 -2472.4986 921491.4634 -1819.5858 -2472.4986
ENERGY: 378 20473.8099 20495.6596 5711.4639 183.2952 -336584.2279 22821.5835 0.0000 0.0000 44474.7538 -222423.6621 161.7869 -266898.4159 -222044.3968 161.7869 -2972.9873 -2523.3499 921491.4634 -2972.9873 -2523.3499
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TIMING: 380 CPU: 179.541, 0.460179/step Wall: 179.541, 0.460179/step, 0.0153393 hours remaining, 3224.191406 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: 383 21263.6991 19910.9247 5714.6670 180.7420 -337128.0228 22911.2845 0.0000 0.0000 44707.9441 -222438.7615 162.6352 -267146.7055 -222048.1884 162.6352 -2023.0804 -2294.0132 921491.4634 -2023.0804 -2294.0132
ENERGY: 384 19625.4112 19596.0354 5710.5349 179.0647 -336052.0484 22884.2534 0.0000 0.0000 45539.1829 -222517.5658 165.6590 -268056.7488 -222062.0926 165.6590 -569.2379 -2166.9357 921491.4634 -569.2379 -2166.9357
ENERGY: 385 19327.8180 19356.8912 5707.7752 177.4354 -335210.6398 22871.6144 0.0000 0.0000 45299.7168 -222469.3889 164.7879 -267769.1057 -222051.0993 164.7879 215.3515 -2064.3635 921491.4634 215.3515 -2064.3635
ENERGY: 386 19981.2272 19220.9464 5707.6638 175.9384 -334865.1815 22880.7958 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 20367.2858 19202.4844 5710.9355 174.6759 -335109.8723 22905.2745 0.0000 0.0000 44377.1813 -222372.0349 161.4320 -266749.2162 -222053.0050 161.4320 -738.9583 -2019.1687 921491.4634 -738.9583 -2019.1687
ENERGY: 388 20282.3984 19280.0168 5717.2935 173.7038 -335824.1520 22938.2902 0.0000 0.0000 44972.7758 -222459.6735 163.5986 -267432.4493 -222067.4821 163.5986 -2063.8553 -2076.2821 921491.4634 -2063.8553 -2076.2821
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 397 19906.7784 20200.7712 5721.4919 176.2273 -336102.8186 22990.0380 0.0000 0.0000 44712.8674 -222394.6444 162.6531 -267107.5118 -222042.6602 162.6531 -376.0861 -2327.2101 921491.4634 -376.0861 -2327.2101
ENERGY: 398 19692.8116 20133.3593 5716.9814 176.0456 -336812.3389 23014.0590 0.0000 0.0000 45592.7321 -222486.3499 165.8538 -268079.0820 -222045.7225 165.8538 -1710.2235 -2443.6964 921491.4634 -1710.2235 -2443.6964
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LDB: ============= START OF LOAD BALANCING ============== 194.713
LDB: Largest compute 230 load 0.524569 is 1.1% of average load 45.626913
LDB: Average compute 0.063893 is 0.1% of average load 45.626913
LDB: TIME 194.714 LOAD: AVG 45.6269 MAX 46.0606 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.19 MB
LDB: TIME 194.715 LOAD: AVG 45.6269 MAX 46.0606 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.19 MB
LDB: TIME 194.715 LOAD: AVG 45.6269 MAX 46.0606 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.19 MB
LDB: ============== END OF LOAD BALANCING =============== 194.716
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.717
Info: Benchmark time: 4 CPUs 0.460534 s/step 5.33025 days/ns 3224.19 MB memory
TIMING: 400 CPU: 188.748, 0.460358/step Wall: 188.748, 0.460358/step, 0.0127877 hours remaining, 3224.191406 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 19835.9109 5715.8942 173.8391 -338107.6292 23109.6384 0.0000 0.0000 44436.8094 -222391.4893 161.6489 -266828.2986 -222049.2229 161.6489 -4939.3794 -2681.7024 921491.4634 -4939.3794 -2681.7024
ENERGY: 403 20784.9693 19778.4828 5715.7218 174.2695 -337239.9787 23077.8408 0.0000 0.0000 45225.5958 -222483.0987 164.5183 -267708.6945 -222046.6857 164.5183 -3613.5977 -2605.7427 921491.4634 -3613.5977 -2605.7427
ENERGY: 404 19687.5951 19735.4027 5713.8114 175.5084 -336169.1142 23038.2906 0.0000 0.0000 45313.8389 -222504.6670 164.8393 -267818.5059 -222060.2372 164.8393 -1967.0745 -2494.0437 921491.4634 -1967.0745 -2494.0437
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ENERGY: 408 19735.8470 19387.6643 5692.2151 187.5226 -335902.8220 23017.8179 0.0000 0.0000 45394.4119 -222487.3432 165.1324 -267881.7551 -222063.5312 165.1324 -920.8279 -2294.1554 921491.4634 -920.8279 -2294.1554
ENERGY: 409 20350.1188 19376.4607 5688.4775 191.1593 -336896.6849 23057.9928 0.0000 0.0000 45733.6055 -222498.8704 166.3663 -268232.4759 -222051.6704 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
ENERGY: 410 21850.5211 19470.1803 5687.6649 194.4179 -337813.1848 23106.2034 0.0000 0.0000 45077.0711 -222427.1260 163.9780 -267504.1971 -222054.6427 163.9780 -3838.6210 -2402.0238 921491.4634 -3838.6210 -2402.0238
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ENERGY: 412 22535.8950 19878.8222 5694.3233 198.8206 -338356.4977 23146.2941 0.0000 0.0000 44499.5082 -222402.8344 161.8770 -266902.3425 -222068.4600 161.8770 -4717.2138 -2436.3026 921491.4634 -4717.2138 -2436.3026
ENERGY: 413 21130.1415 20138.5250 5699.9334 199.7191 -337872.5321 23125.1120 0.0000 0.0000 45113.2140 -222465.8870 164.1095 -267579.1011 -222055.3454 164.1095 -3850.6268 -2398.9548 921491.4634 -3850.6268 -2398.9548
ENERGY: 414 19987.3854 20381.5508 5705.1135 199.5118 -337122.7800 23094.4561 0.0000 0.0000 45271.6526 -222483.1098 164.6858 -267754.7624 -222052.1624 164.6858 -2501.3240 -2333.9463 921491.4634 -2501.3240 -2333.9463
ENERGY: 415 19745.2664 20572.1260 5708.7452 198.1487 -336456.1975 23071.1994 0.0000 0.0000 44733.2272 -222427.4845 162.7272 -267160.7117 -222049.0347 162.7272 -1174.6451 -2266.5614 921491.4634 -1174.6451 -2266.5614
ENERGY: 416 19942.3168 20661.9897 5710.0857 195.6953 -336157.5865 23063.1717 0.0000 0.0000 44200.2849 -222384.0423 160.7885 -266584.3272 -222052.9646 160.7885 -282.7612 -2224.6896 921491.4634 -282.7612 -2224.6896
ENERGY: 417 20031.3748 20631.3210 5709.0494 192.4696 -336373.1078 23072.1100 0.0000 0.0000 44338.4618 -222398.3211 161.2911 -266736.7830 -222044.6995 161.2911 -112.4552 -2227.1699 921491.4634 -112.4552 -2227.1699
ENERGY: 418 20154.6647 20457.0911 5705.5847 188.6536 -336970.7870 23098.6727 0.0000 0.0000 44915.1422 -222450.9780 163.3889 -267366.1202 -222046.7095 163.3889 -671.8546 -2269.9921 921491.4634 -671.8546 -2269.9921
ENERGY: 419 20790.7631 20185.5525 5700.4810 184.6054 -337717.8758 23139.8023 0.0000 0.0000 45250.3099 -222466.3615 164.6082 -267716.6714 -222049.5952 164.6082 -1783.9422 -2336.6465 921491.4634 -1783.9422 -2336.6465
TIMING: 420 CPU: 197.929, 0.459076/step Wall: 197.929, 0.459076/step, 0.0102017 hours remaining, 3224.191406 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 22275.7613 19449.5350 5688.9976 174.4058 -338225.0311 23208.5473 0.0000 0.0000 45004.7081 -222423.0759 163.7148 -267427.7841 -222052.8451 163.7148 -4363.1153 -2465.6374 921491.4634 -4363.1153 -2465.6374
ENERGY: 423 21418.8983 19324.4272 5689.6736 172.2145 -337416.8951 23180.6037 0.0000 0.0000 45183.9712 -222447.1065 164.3669 -267631.0777 -222051.5234 164.3669 -3955.8308 -2434.9307 921491.4634 -3955.8308 -2434.9307
ENERGY: 424 20531.3307 19270.7814 5692.6542 170.6563 -336406.2756 23140.4643 0.0000 0.0000 45151.0457 -222449.3430 164.2471 -267600.3888 -222060.4127 164.2471 -3030.1609 -2370.2034 921491.4634 -3030.1609 -2370.2034
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ENERGY: 426 19603.3345 19432.3067 5702.4947 169.0990 -335270.6870 23080.2888 0.0000 0.0000 44862.7387 -222420.4245 163.1983 -267283.1633 -222049.1089 163.1983 -1125.8051 -2237.7216 921491.4634 -1125.8051 -2237.7216
ENERGY: 427 19598.5314 19595.2896 5707.1504 168.7509 -335498.4314 23074.5002 0.0000 0.0000 44915.2779 -222438.9309 163.3894 -267354.2088 -222048.7337 163.3894 -741.9010 -2207.6356 921491.4634 -741.9010 -2207.6356
ENERGY: 428 20140.4226 19760.4169 5710.4628 168.5259 -336199.9852 23087.7673 0.0000 0.0000 44884.2598 -222448.1299 163.2766 -267332.3897 -222058.0551 163.2766 -935.5735 -2206.9587 921491.4634 -935.5735 -2206.9587
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9872 20024.3739 5712.1700 168.1897 -338096.9207 23149.4488 0.0000 0.0000 44626.3103 -222402.4408 162.3383 -267028.7511 -222047.3917 162.3383 -2472.2460 -2268.0468 921491.4634 -2472.2460 -2268.0468
ENERGY: 431 22204.1021 20111.4155 5711.2600 168.0704 -338644.7648 23172.3800 0.0000 0.0000 44858.4635 -222419.0734 163.1828 -267277.5369 -222048.7171 163.1828 -3116.2809 -2293.5594 921491.4634 -3116.2809 -2293.5594
ENERGY: 432 21768.3702 20188.6726 5710.3547 168.1086 -338651.2105 23176.0841 0.0000 0.0000 45177.9915 -222461.6288 164.3451 -267639.6203 -222065.9061 164.3451 -3350.2745 -2296.1500 921491.4634 -3350.2745 -2296.1500
ENERGY: 433 21200.9070 20275.9666 5710.3763 168.4633 -338164.0642 23162.2906 0.0000 0.0000 45192.9290 -222453.1314 164.3995 -267646.0604 -222052.5985 164.3995 -3187.3736 -2272.1279 921491.4634 -3187.3736 -2272.1279
ENERGY: 434 20730.3411 20338.1501 5711.6061 169.3247 -337394.2709 23140.7731 0.0000 0.0000 44883.1004 -222420.9754 163.2724 -267304.0758 -222051.1465 163.2724 -2694.3110 -2227.7887 921491.4634 -2694.3110 -2227.7887
ENERGY: 435 20235.2200 20362.4017 5714.0003 170.8455 -336680.6560 23123.4093 0.0000 0.0000 44675.9845 -222398.7947 162.5190 -267074.7792 -222049.5891 162.5190 -2061.3584 -2179.8953 921491.4634 -2061.3584 -2179.8953
ENERGY: 436 19670.9241 20349.9984 5717.2345 173.0864 -336303.8816 23119.9074 0.0000 0.0000 44847.0988 -222425.6320 163.1414 -267272.7308 -222059.6962 163.1414 -1520.6600 -2145.1619 921491.4634 -1520.6600 -2145.1619
ENERGY: 437 19434.5514 20329.5095 5720.9893 175.9827 -336411.9788 23136.3864 0.0000 0.0000 45159.2691 -222455.2904 164.2770 -267614.5595 -222050.7506 164.2770 -1319.1170 -2134.4850 921491.4634 -1319.1170 -2134.4850
ENERGY: 438 19935.1530 20278.6098 5724.6883 179.3849 -336899.4579 23173.5516 0.0000 0.0000 45148.1326 -222459.9376 164.2365 -267608.0702 -222051.5671 164.2365 -1493.0942 -2145.0882 921491.4634 -1493.0942 -2145.0882
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TIMING: 440 CPU: 207.099, 0.458456/step Wall: 207.099, 0.458456/step, 0.00764093 hours remaining, 3224.191406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5683 20036.2373 5729.7527 186.7202 -338123.1807 23276.2483 0.0000 0.0000 44417.5457 -222405.1083 161.5788 -266822.6541 -222059.4777 161.5788 -2408.4615 -2197.9674 921491.4634 -2408.4615 -2197.9674
ENERGY: 441 22355.5486 19860.0409 5730.3487 190.1146 -338361.1715 23313.2042 0.0000 0.0000 44502.6962 -222409.2183 161.8886 -266911.9145 -222050.0864 161.8886 -2716.1030 -2221.5316 921491.4634 -2716.1030 -2221.5316
ENERGY: 442 21853.6117 19664.5348 5729.4854 192.9412 -338090.1531 23327.1564 0.0000 0.0000 44880.6318 -222441.7918 163.2634 -267322.4236 -222049.7760 163.2634 -2710.5579 -2229.0698 921491.4634 -2710.5579 -2229.0698
ENERGY: 443 21064.3315 19487.0720 5727.6164 194.9329 -337369.3147 23320.0154 0.0000 0.0000 45118.1106 -222457.2359 164.1273 -267575.3464 -222048.6000 164.1273 -2448.1651 -2220.3533 921491.4634 -2448.1651 -2220.3533
ENERGY: 444 20449.3362 19357.2687 5725.4095 195.8735 -336464.1917 23301.5272 0.0000 0.0000 44987.7175 -222447.0591 163.6530 -267434.7766 -222057.9800 163.6530 -2090.2100 -2206.4400 921491.4634 -2090.2100 -2206.4400
ENERGY: 445 20125.5607 19307.2515 5723.6513 195.6942 -335759.3908 23283.8135 0.0000 0.0000 44708.7152 -222414.7044 162.6380 -267123.4196 -222046.5430 162.6380 -1846.9627 -2201.6926 921491.4634 -1846.9627 -2201.6926
ENERGY: 446 19947.6804 19324.9005 5722.5429 194.3235 -335494.5703 23276.0447 0.0000 0.0000 44620.2941 -222408.7841 162.3164 -267029.0783 -222046.1623 162.3164 -1800.7518 -2216.7294 921491.4634 -1800.7518 -2216.7294
ENERGY: 447 19914.2847 19416.0211 5722.2107 191.8641 -335769.4395 23282.7455 0.0000 0.0000 44816.5083 -222425.8052 163.0301 -267242.3135 -222046.8345 163.0301 -1993.3113 -2253.0603 921491.4634 -1993.3113 -2253.0603
ENERGY: 448 20187.5919 19583.6802 5722.5764 188.5554 -336503.1796 23303.8901 0.0000 0.0000 45065.6670 -222451.2186 163.9365 -267516.8856 -222059.3481 163.9365 -2372.1878 -2303.7898 921491.4634 -2372.1878 -2303.7898
ENERGY: 449 20877.4058 19832.6989 5723.5712 184.8596 -337500.9068 23334.5920 0.0000 0.0000 45101.1674 -222446.6120 164.0657 -267547.7794 -222047.7100 164.0657 -2827.1080 -2356.1407 921491.4634 -2827.1080 -2356.1407
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4852 20108.1303 5724.4776 181.0897 -338419.3247 23364.6239 0.0000 0.0000 44854.3094 -222432.2087 163.1676 -267286.5180 -222048.7861 163.1676 -3116.6756 -2394.3896 921491.4634 -3116.6756 -2394.3896
ENERGY: 451 22355.5901 20357.7257 5724.7143 177.6517 -338952.0908 23381.8004 0.0000 0.0000 44542.6986 -222411.9101 162.0341 -266954.6086 -222048.8246 162.0341 -3074.2532 -2405.7797 921491.4634 -3074.2532 -2405.7797
ENERGY: 452 22246.2014 20536.0135 5723.8953 174.8859 -338927.1540 23378.0941 0.0000 0.0000 44452.9197 -222415.1441 161.7075 -266868.0638 -222059.6372 161.7075 -2659.9606 -2384.7569 921491.4634 -2659.9606 -2384.7569
ENERGY: 453 21399.8726 20641.1312 5722.2878 173.1350 -338392.7938 23354.5905 0.0000 0.0000 44683.7036 -222418.0732 162.5470 -267101.7768 -222043.5373 162.5470 -2048.3339 -2342.4669 921491.4634 -2048.3339 -2342.4669
ENERGY: 454 20248.3382 20654.1375 5720.2217 172.3637 -337567.1420 23320.6899 0.0000 0.0000 45008.1467 -222443.2443 163.7273 -267451.3910 -222041.8393 163.7273 -1453.4580 -2293.1451 921491.4634 -1453.4580 -2293.1451
ENERGY: 455 19486.7908 20584.7123 5718.4844 172.5169 -336790.6459 23290.4022 0.0000 0.0000 45086.5789 -222451.1605 164.0126 -267537.7393 -222040.8571 164.0126 -1151.8826 -2255.8572 921491.4634 -1151.8826 -2255.8572
ENERGY: 456 19493.3723 20440.6804 5717.7555 173.4249 -336350.1083 23274.9630 0.0000 0.0000 44811.4724 -222438.4398 163.0118 -267249.9122 -222055.3489 163.0118 -1305.5007 -2245.5824 921491.4634 -1305.5007 -2245.5824
ENERGY: 457 20047.4929 20251.9439 5718.5580 174.9241 -336395.8171 23277.8273 0.0000 0.0000 44521.8702 -222403.2005 161.9583 -266925.0708 -222049.4136 161.9583 -1906.4167 -2263.5014 921491.4634 -1906.4167 -2263.5014
ENERGY: 458 20585.8434 20019.2727 5720.7060 176.6081 -336835.0963 23294.7172 0.0000 0.0000 44632.7886 -222405.1602 162.3618 -267037.9488 -222051.2825 162.3618 -2684.6988 -2301.0428 921491.4634 -2684.6988 -2301.0428
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TIMING: 460 CPU: 216.263, 0.458204/step Wall: 216.263, 0.458204/step, 0.00509115 hours remaining, 3224.191406 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 21262.6138 19597.9065 5728.0971 179.4910 -338014.3769 23341.8001 0.0000 0.0000 45423.8564 -222480.6120 165.2395 -267904.4684 -222064.6840 165.2395 -3669.8201 -2365.2413 921491.4634 -3669.8201 -2365.2413
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ENERGY: 462 22264.2255 19487.8107 5736.4822 180.9531 -337988.7171 23351.1086 0.0000 0.0000 44559.9291 -222408.2078 162.0968 -266968.1369 -222056.7218 162.0968 -2954.8200 -2323.4251 921491.4634 -2954.8200 -2323.4251
ENERGY: 463 21821.1791 19513.9013 5738.9361 181.1160 -337284.1030 23326.9478 0.0000 0.0000 44313.4571 -222388.5656 161.2002 -266702.0227 -222054.6246 161.2002 -2012.4425 -2264.0779 921491.4634 -2012.4425 -2264.0779
ENERGY: 464 20535.2460 19559.9270 5739.2518 181.0096 -336389.3840 23291.1942 0.0000 0.0000 44654.0266 -222428.7287 162.4391 -267082.7553 -222058.5731 162.4391 -1050.9228 -2205.5269 921491.4634 -1050.9228 -2205.5269
ENERGY: 465 19322.7828 19631.8854 5737.2898 180.7155 -335701.1534 23259.7392 0.0000 0.0000 45094.5686 -222474.1722 164.0416 -267568.7407 -222052.9390 164.0416 -512.3349 -2174.4009 921491.4634 -512.3349 -2174.4009
ENERGY: 466 19088.4511 19708.3583 5733.2107 180.2808 -335443.7726 23245.0604 0.0000 0.0000 45020.7904 -222467.6208 163.7733 -267488.4113 -222052.9788 163.7733 -630.3317 -2182.6711 921491.4634 -630.3317 -2182.6711
ENERGY: 467 19841.8070 19783.1745 5727.6703 179.7757 -335721.0952 23249.4530 0.0000 0.0000 44523.6661 -222415.5485 161.9649 -266939.2146 -222054.3497 161.9649 -1393.6032 -2232.5925 921491.4634 -1393.6032 -2232.5925
ENERGY: 468 20761.8481 19845.4946 5721.5089 179.2779 -336451.5667 23265.8126 0.0000 0.0000 44291.6581 -222385.9665 161.1209 -266677.6247 -222056.3593 161.1209 -2508.6716 -2314.1341 921491.4634 -2508.6716 -2314.1341
ENERGY: 469 21236.3013 19910.2025 5715.6824 178.8504 -337458.3203 23284.3962 0.0000 0.0000 44720.3200 -222412.5675 162.6802 -267132.8875 -222046.0752 162.6802 -3596.7407 -2405.7974 921491.4634 -3596.7407 -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 21411.1727 19972.8938 5710.9491 178.5947 -338383.2510 23297.0673 0.0000 0.0000 45346.4574 -222466.1159 164.9579 -267812.5733 -222047.6091 164.9579 -4259.6995 -2477.6833 921491.4634 -4259.6995 -2477.6833
ENERGY: 471 21732.8675 20054.6838 5707.9626 178.5890 -338913.2455 23297.5086 0.0000 0.0000 45471.3367 -222470.2973 165.4122 -267941.6340 -222047.5362 165.4122 -4290.5683 -2504.3177 921491.4634 -4290.5683 -2504.3177
ENERGY: 472 22081.2359 20161.5554 5707.0091 178.9047 -338870.6771 23279.4492 0.0000 0.0000 45028.5298 -222433.9930 163.8014 -267462.5228 -222059.5059 163.8014 -3659.7360 -2479.9185 921491.4634 -3659.7360 -2479.9185
ENERGY: 473 21866.1362 20289.3430 5707.9843 179.6165 -338307.7197 23240.7364 0.0000 0.0000 44634.5174 -222389.3860 162.3681 -267023.9034 -222043.8540 162.3681 -2556.3617 -2408.1659 921491.4634 -2556.3617 -2408.1659
ENERGY: 474 20842.9704 20372.0990 5710.2160 180.7466 -337438.4559 23189.2349 0.0000 0.0000 44733.2306 -222409.9582 162.7272 -267143.1889 -222041.2620 162.7272 -1295.5527 -2316.2729 921491.4634 -1295.5527 -2316.2729
ENERGY: 475 19674.2081 20371.7679 5712.9876 182.2512 -336604.2320 23142.3819 0.0000 0.0000 45070.2137 -222450.4217 163.9531 -267520.6354 -222039.4531 163.9531 -344.6452 -2232.2127 921491.4634 -344.6452 -2232.2127
ENERGY: 476 19235.7862 20282.0279 5715.7683 184.0125 -336100.0908 23115.8467 0.0000 0.0000 45106.0631 -222460.5860 164.0835 -267566.6491 -222053.6137 164.0835 -92.4052 -2183.0653 921491.4634 -92.4052 -2183.0653
ENERGY: 477 19704.7249 20145.9816 5718.4976 185.9230 -336101.8791 23114.2940 0.0000 0.0000 44812.3205 -222420.1373 163.0149 -267232.4579 -222044.8410 163.0149 -667.4947 -2171.8228 921491.4634 -667.4947 -2171.8228
ENERGY: 478 20493.4774 19974.7639 5721.0254 187.7262 -336537.4034 23131.2460 0.0000 0.0000 44627.0330 -222402.1313 162.3409 -267029.1644 -222047.4106 162.3409 -1807.1603 -2198.7955 921491.4634 -1807.1603 -2198.7955
ENERGY: 479 21125.3054 19793.3955 5723.3295 189.2099 -337215.5832 23156.6772 0.0000 0.0000 44802.1576 -222425.5082 162.9779 -267227.6658 -222050.5459 162.9779 -3089.8513 -2246.7917 921491.4634 -3089.8513 -2246.7917
TIMING: 480 CPU: 225.424, 0.458045/step Wall: 225.424, 0.458045/step, 0.00254469 hours remaining, 3224.191406 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 21624.0322 19623.1962 5725.3111 190.1901 -337854.6777 23181.5117 0.0000 0.0000 45051.6813 -222458.7551 163.8856 -267510.4364 -222064.6210 163.8856 -4077.7323 -2291.4890 921491.4634 -4077.7323 -2291.4890
ENERGY: 481 22092.4850 19510.0429 5727.0952 190.6351 -338199.2471 23196.7958 0.0000 0.0000 45041.3367 -222440.8563 163.8480 -267482.1930 -222052.5266 163.8480 -4466.2390 -2305.6731 921491.4634 -4466.2390 -2305.6731
ENERGY: 482 22186.3465 19466.6790 5728.4964 190.3598 -338044.5409 23192.7473 0.0000 0.0000 44865.8518 -222414.0601 163.2096 -267279.9119 -222051.4113 163.2096 -4059.3095 -2278.0614 921491.4634 -4059.3095 -2278.0614
ENERGY: 483 21553.1413 19511.5742 5729.5660 189.3227 -337426.2178 23165.8739 0.0000 0.0000 44861.8967 -222414.8430 163.1953 -267276.7397 -222048.7672 163.1953 -2964.1721 -2216.4115 921491.4634 -2964.1721 -2216.4115
ENERGY: 484 20460.8927 19631.1938 5730.2465 187.5455 -336590.8884 23126.1350 0.0000 0.0000 45003.6028 -222451.2722 163.7107 -267454.8750 -222059.8747 163.7107 -1565.2428 -2143.1851 921491.4634 -1565.2428 -2143.1851
ENERGY: 485 19688.7722 19800.2992 5730.5256 185.2458 -335902.5867 23092.8469 0.0000 0.0000 44955.5720 -222449.3251 163.5360 -267404.8970 -222045.9611 163.5360 -422.1574 -2086.8738 921491.4634 -422.1574 -2086.8738
ENERGY: 486 19602.5428 19954.8178 5729.7198 182.4662 -335612.3570 23080.3806 0.0000 0.0000 44645.9111 -222416.5186 162.4096 -267062.4298 -222044.6765 162.4096 87.3176 -2070.0984 921491.4634 87.3176 -2070.0984
ENERGY: 487 19881.0925 20072.0215 5727.4348 179.4360 -335846.4484 23091.0542 0.0000 0.0000 44503.3489 -222392.0604 161.8910 -266895.4093 -222045.2412 161.8910 -192.2349 -2106.8842 921491.4634 -192.2349 -2106.8842
ENERGY: 488 20125.2096 20156.1364 5723.5441 176.4338 -336552.5451 23118.8614 0.0000 0.0000 44827.0554 -222425.3043 163.0685 -267252.3597 -222057.1940 163.0685 -1145.7533 -2194.6680 921491.4634 -1145.7533 -2194.6680
ENERGY: 489 20526.8868 20236.4612 5718.5749 173.8639 -337540.4654 23156.7308 0.0000 0.0000 45266.1004 -222461.8475 164.6656 -267727.9479 -222045.6088 164.6656 -2511.2403 -2316.7066 921491.4634 -2511.2403 -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 21410.7486 20292.9025 5712.8912 171.8438 -338458.1361 23196.4875 0.0000 0.0000 45213.5629 -222459.6995 164.4745 -267673.2625 -222048.2210 164.4745 -3823.4036 -2437.4155 921491.4634 -3823.4036 -2437.4155
ENERGY: 491 22430.4637 20312.1364 5707.3795 170.5404 -338984.5795 23226.0935 0.0000 0.0000 44733.0090 -222404.9570 162.7264 -267137.9660 -222049.4640 162.7264 -4629.6932 -2524.6215 921491.4634 -4629.6932 -2524.6215
ENERGY: 492 22612.9546 20289.6815 5702.9944 170.0208 -338937.5820 23232.7203 0.0000 0.0000 44542.1951 -222387.0153 162.0323 -266929.2103 -222060.3862 162.0323 -4606.8524 -2557.4731 921491.4634 -4606.8524 -2557.4731
ENERGY: 493 21558.2188 20260.7380 5700.7779 170.3200 -338358.0640 23214.0535 0.0000 0.0000 45033.8230 -222420.1328 163.8207 -267453.9558 -222046.5903 163.8207 -3796.3821 -2540.0997 921491.4634 -3796.3821 -2540.0997
ENERGY: 494 20068.3368 20225.0267 5700.9805 171.2193 -337454.3843 23183.0794 0.0000 0.0000 45622.2476 -222483.4941 165.9612 -268105.7417 -222044.0869 165.9612 -2500.8996 -2482.1070 921491.4634 -2500.8996 -2482.1070
ENERGY: 495 19383.2465 20186.8306 5703.5926 172.5416 -336566.9895 23159.4623 0.0000 0.0000 45484.1232 -222477.1927 165.4587 -267961.3159 -222041.5565 165.4587 -1249.6841 -2407.3058 921491.4634 -1249.6841 -2407.3058
ENERGY: 496 19722.4835 20130.6476 5708.0350 174.0933 -335998.7162 23154.2634 0.0000 0.0000 44699.5273 -222409.6661 162.6046 -267109.1934 -222049.0672 162.6046 -478.9000 -2343.4752 921491.4634 -478.9000 -2343.4752
ENERGY: 497 20212.6668 20059.9177 5713.4612 175.7242 -335952.5048 23166.3544 0.0000 0.0000 44261.0293 -222363.3512 161.0095 -266624.3805 -222042.7502 161.0095 -421.0234 -2316.7929 921491.4634 -421.0234 -2316.7929
ENERGY: 498 20182.0163 19957.1214 5718.5596 177.2604 -336366.4937 23189.3583 0.0000 0.0000 44728.2542 -222413.9235 162.7091 -267142.1777 -222044.5221 162.7091 -993.4679 -2331.6474 921491.4634 -993.4679 -2331.6474
ENERGY: 499 20158.0676 19847.7305 5722.4089 178.6361 -337058.4828 23219.2402 0.0000 0.0000 45439.2653 -222493.1341 165.2956 -267932.3994 -222047.2064 165.2956 -2020.8687 -2376.3391 921491.4634 -2020.8687 -2376.3391
Info: Benchmark time: 4 CPUs 0.457603 s/step 5.29634 days/ns 3224.19 MB memory
TIMING: 500 CPU: 234.508, 0.454244/step Wall: 234.508, 0.454244/step, 0 hours remaining, 3224.191406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8935 19756.6580 5724.4523 179.8271 -337741.4198 23251.1007 0.0000 0.0000 45359.0788 -222495.4095 165.0039 -267854.4882 -222061.0913 165.0039 -3197.5167 -2425.4143 921491.4634 -3197.5167 -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, 3229.445 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.445 MB of memory in use
====================================================
WallClock: 241.363663 CPUTime: 241.363663 Memory: 3229.445312 MB
[Partition 0][Node 0] End of program
Application 87832668 resources: utime ~948s, stime ~19s, Rss ~126764, inblocks ~67175, outblocks ~72240
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins165239778327243954.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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