Skipping 713 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 ============== 54.3089
LDB: Largest compute 200 load 0.434037 is 1.2% of average load 36.824086
LDB: Average compute 0.051587 is 0.1% of average load 36.824086
LDB: Partitioning computes with target load 3.682409
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055250
LDB: ============== END OF LOAD BALANCING =============== 54.311
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.3119
Info: Initial time: 4 CPUs 0.474156 s/step 5.48792 days/ns 3221.61 MB memory
TIMING: 100 CPU: 48.3892, 0.473317/step Wall: 48.3892, 0.473317/step, 0.0525908 hours remaining, 3221.605469 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 ============== 63.7584
LDB: ============== END OF LOAD BALANCING =============== 63.7584
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7589
TIMING: 120 CPU: 57.8331, 0.472193/step Wall: 57.8331, 0.472193/step, 0.0498426 hours remaining, 3221.734375 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: 130 21553.6088 18898.7761 5736.4508 185.0194 -334776.0136 21118.0422 0.0000 0.0000 44811.1496 -222472.9667 163.0106 -267284.1163 -222216.5364 163.0106 -5536.0555 -2842.3154 921491.4634 -5536.0555 -2842.3154
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ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4344 21083.5324 0.0000 0.0000 42784.9639 -222340.8739 155.6399 -265125.8378 -222213.1815 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
ENERGY: 139 22116.0297 18330.1125 5724.2506 192.4679 -333575.3363 21115.6332 0.0000 0.0000 43705.6789 -222391.1635 158.9892 -266096.8424 -222217.3488 158.9892 -4443.4108 -3015.1528 921491.4634 -4443.4108 -3015.1528
TIMING: 140 CPU: 67.2702, 0.471855/step Wall: 67.2702, 0.471855/step, 0.0471855 hours remaining, 3222.035156 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: 140 20992.5977 17997.1578 5722.1741 192.2140 -333726.9441 21127.4061 0.0000 0.0000 45144.2513 -222551.1432 164.2224 -267695.3946 -222224.0361 164.2224 -5617.7627 -3080.3638 921491.4634 -5617.7627 -3080.3638
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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 19956.3834 5767.3089 192.0924 -334899.3753 20845.5771 0.0000 0.0000 44606.5898 -222515.5243 162.2665 -267122.1141 -222153.2665 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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ENERGY: 156 18312.4484 20599.9073 5758.8570 173.6449 -332218.9145 20684.3829 0.0000 0.0000 44137.5523 -222552.1216 160.5603 -266689.6739 -222166.8046 160.5603 -219.5096 -2571.5313 921491.4634 -219.5096 -2571.5313
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ENERGY: 158 21695.0847 19425.3239 5743.5667 171.3409 -332829.8100 20761.5805 0.0000 0.0000 42713.6820 -222319.2313 155.3806 -265032.9133 -222157.3218 155.3806 -715.5936 -2586.7969 921491.4634 -715.5936 -2586.7969
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TIMING: 160 CPU: 76.6981, 0.471398/step Wall: 76.6981, 0.471398/step, 0.044521 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: 176 19195.1038 18891.7629 5743.5896 160.0071 -332124.2126 20943.2095 0.0000 0.0000 44722.5120 -222468.0276 162.6882 -267190.5396 -222127.3368 162.6882 -2658.3219 -2727.5043 921491.4634 -2658.3219 -2727.5043
ENERGY: 177 21863.3196 18664.1735 5738.9484 156.2659 -332371.2410 20981.6518 0.0000 0.0000 42714.2624 -222252.6194 155.3827 -264966.8818 -222125.5135 155.3827 -2870.6845 -2681.8088 921491.4634 -2870.6845 -2681.8088
ENERGY: 178 21917.7900 18733.9559 5737.6245 154.5770 -332975.2974 21015.2133 0.0000 0.0000 43101.1544 -222314.9823 156.7902 -265416.1367 -222126.1320 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
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TIMING: 180 CPU: 86.111, 0.470646/step Wall: 86.111, 0.470646/step, 0.0418352 hours remaining, 3222.316406 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: 198 21224.0061 18800.3006 5711.3574 186.3640 -333385.4999 21161.1533 0.0000 0.0000 43911.2863 -222391.0322 159.7372 -266302.3185 -222090.4393 159.7372 -4381.6808 -2646.7680 921491.4634 -4381.6808 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.454
LDB: Largest compute 200 load 0.429755 is 1.2% of average load 36.642277
LDB: Average compute 0.051327 is 0.1% of average load 36.642277
LDB: TIME 101.456 LOAD: AVG 36.6423 MAX 37.6955 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.66 MB
LDB: TIME 101.458 LOAD: AVG 36.6423 MAX 37.6043 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.66 MB
LDB: ============== END OF LOAD BALANCING =============== 101.46
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.463
Info: Initial time: 4 CPUs 0.471347 s/step 5.4554 days/ns 3223.83 MB memory
TIMING: 200 CPU: 95.5337, 0.471131/step Wall: 95.5337, 0.471131/step, 0.0392609 hours remaining, 3223.828125 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: 104.967, 0.471668/step Wall: 104.967, 0.471668/step, 0.0366853 hours remaining, 3223.828125 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: 114.391, 0.471193/step Wall: 114.391, 0.471193/step, 0.0340306 hours remaining, 3223.828125 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: 243 19462.3620 19969.6445 5749.3614 168.8705 -335233.7065 21770.4747 0.0000 0.0000 45537.0689 -222575.9244 165.6513 -268112.9933 -222061.6673 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2464 19849.3933 5737.4544 169.6534 -334482.6008 21720.5675 0.0000 0.0000 45629.1662 -222554.1195 165.9864 -268183.2857 -222078.7771 165.9864 -2667.7298 -2573.2150 921491.4634 -2667.7298 -2573.2150
ENERGY: 245 20148.2369 19811.7598 5725.7785 171.4559 -334087.5945 21701.2469 0.0000 0.0000 44168.5248 -222360.5918 160.6730 -266529.1166 -222068.6366 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5481 19853.7023 5716.8932 174.1558 -334213.1204 21705.0849 0.0000 0.0000 43600.4182 -222284.3179 158.6063 -265884.7361 -222067.4296 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5287 19979.6439 5712.7400 177.5412 -334802.1840 21719.8453 0.0000 0.0000 44912.1912 -222431.6937 163.3782 -267343.8849 -222068.1394 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4925 20164.4296 5713.8450 181.3144 -335623.1351 21746.4310 0.0000 0.0000 46185.9361 -222595.6865 168.0117 -268781.6227 -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 20899.4410 18950.9578 5693.4518 195.6570 -332975.5974 21757.6846 0.0000 0.0000 43181.1614 -222297.2438 157.0812 -265478.4051 -222071.2739 157.0812 -2042.2409 -2664.5198 921491.4634 -2042.2409 -2664.5198
ENERGY: 257 20029.5653 18878.1874 5681.1759 194.7976 -333481.0040 21780.2418 0.0000 0.0000 44488.5470 -222428.4891 161.8371 -266917.0360 -222060.1684 161.8371 -2035.5362 -2692.1441 921491.4634 -2035.5362 -2692.1441
ENERGY: 258 19453.5867 18882.0667 5673.2911 193.6684 -334373.1545 21817.5076 0.0000 0.0000 45796.2579 -222556.7762 166.5942 -268353.0340 -222062.0608 166.5942 -2331.2327 -2737.1919 921491.4634 -2331.2327 -2737.1919
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TIMING: 260 CPU: 123.808, 0.470839/step Wall: 123.808, 0.470839/step, 0.0313893 hours remaining, 3224.132812 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 20436.4303 5710.6950 187.5052 -334855.9511 21907.7772 0.0000 0.0000 44751.4785 -222476.8389 162.7936 -267228.3173 -222069.1983 162.7936 -2191.1926 -2723.5293 921491.4634 -2191.1926 -2723.5293
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ENERGY: 266 20048.7899 20788.8699 5712.1327 187.6137 -334399.4576 21914.4805 0.0000 0.0000 43399.3797 -222348.1912 157.8750 -265747.5709 -222054.3635 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0906 20691.2677 5707.0583 187.8501 -334831.4855 21930.8374 0.0000 0.0000 44220.2168 -222446.1646 160.8610 -266666.3814 -222055.6585 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9160 20375.7515 5700.1930 187.9286 -335513.7448 21959.1257 0.0000 0.0000 44823.5376 -222504.2924 163.0557 -267327.8300 -222075.9874 163.0557 -2903.2125 -2658.6180 921491.4634 -2903.2125 -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
ENERGY: 270 22620.1931 19450.9168 5690.3173 187.1618 -336650.6773 22028.8070 0.0000 0.0000 44308.0074 -222365.2737 161.1804 -266673.2812 -222067.0433 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
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ENERGY: 272 21021.5583 18896.0663 5692.8269 184.9335 -335921.4615 22015.0580 0.0000 0.0000 45607.7076 -222503.3110 165.9083 -268111.0186 -222081.1571 165.9083 -2551.9683 -2501.8805 921491.4634 -2551.9683 -2501.8805
ENERGY: 273 20123.2136 18932.9082 5697.5118 183.8526 -334925.7014 21985.5296 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: 277 19149.2973 19724.7161 5695.5210 182.9396 -333864.3456 21997.2387 0.0000 0.0000 44632.8112 -222481.8217 162.3619 -267114.6329 -222061.0988 162.3619 -2311.7546 -2498.0545 921491.4634 -2311.7546 -2498.0545
ENERGY: 278 20199.4577 19713.7761 5686.9122 183.6585 -334821.1005 22041.3359 0.0000 0.0000 44532.2541 -222463.7061 161.9961 -266995.9602 -222063.4131 161.9961 -3254.8158 -2593.7697 921491.4634 -3254.8158 -2593.7697
ENERGY: 279 21984.3649 19593.9431 5677.5176 184.5187 -335888.5801 22096.4199 0.0000 0.0000 43975.0881 -222376.7279 159.9693 -266351.8159 -222065.2023 159.9693 -4044.3213 -2682.8390 921491.4634 -4044.3213 -2682.8390
TIMING: 280 CPU: 133.206, 0.469939/step Wall: 133.206, 0.469939/step, 0.0287185 hours remaining, 3224.132812 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 286 19396.6310 20966.5621 5721.5032 185.8229 -334658.1150 22176.6863 0.0000 0.0000 43785.6883 -222425.2211 159.2803 -266210.9094 -222054.0581 159.2803 -1306.7504 -2717.2847 921491.4634 -1306.7504 -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 ============== 148.549
LDB: Largest compute 200 load 0.522984 is 1.1% of average load 45.764397
LDB: Average compute 0.064114 is 0.1% of average load 45.764397
LDB: TIME 148.551 LOAD: AVG 45.7644 MAX 47.0856 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.48 MB
LDB: TIME 148.552 LOAD: AVG 45.7644 MAX 47.0856 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.48 MB
LDB: TIME 148.564 LOAD: AVG 45.7644 MAX 46.2739 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.48 MB
LDB: ============== END OF LOAD BALANCING =============== 148.565
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.566
Info: Initial time: 4 CPUs 0.470542 s/step 5.44609 days/ns 3224.48 MB memory
TIMING: 300 CPU: 142.605, 0.469942/step Wall: 142.605, 0.469942/step, 0.0261079 hours remaining, 3224.484375 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: 151.836, 0.461538/step Wall: 151.836, 0.461538/step, 0.0230769 hours remaining, 3224.484375 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: 161.06, 0.461217/step Wall: 161.06, 0.461217/step, 0.0204985 hours remaining, 3224.484375 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: 170.279, 0.460908/step Wall: 170.279, 0.460908/step, 0.0179242 hours remaining, 3224.484375 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 20646.4608 20251.1592 5706.5521 182.3248 -335763.5805 22794.3776 0.0000 0.0000 43848.2755 -222334.4304 159.5080 -266182.7059 -222041.4014 159.5080 -1819.5857 -2472.4986 921491.4634 -1819.5857 -2472.4986
ENERGY: 378 20473.8101 20495.6593 5711.4639 183.2952 -336584.2283 22821.5839 0.0000 0.0000 44474.7537 -222423.6622 161.7869 -266898.4159 -222044.3968 161.7869 -2972.9873 -2523.3498 921491.4634 -2972.9873 -2523.3498
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TIMING: 380 CPU: 179.491, 0.460616/step Wall: 179.491, 0.460616/step, 0.0153539 hours remaining, 3224.484375 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 386 19981.2273 19220.9465 5707.6638 175.9384 -334865.1822 22880.7964 0.0000 0.0000 44519.8584 -222378.7514 161.9510 -266898.6098 -222051.0435 161.9510 122.6673 -2011.2425 921491.4634 122.6673 -2011.2425
ENERGY: 387 20367.2861 19202.4845 5710.9354 174.6759 -335109.8732 22905.2750 0.0000 0.0000 44377.1815 -222372.0347 161.4320 -266749.2162 -222053.0048 161.4320 -738.9582 -2019.1686 921491.4634 -738.9582 -2019.1686
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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 19692.8118 20133.3591 5716.9814 176.0456 -336812.3386 23014.0592 0.0000 0.0000 45592.7321 -222486.3495 165.8538 -268079.0816 -222045.7221 165.8538 -1710.2235 -2443.6963 921491.4634 -1710.2235 -2443.6963
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LDB: ============= START OF LOAD BALANCING ============== 194.667
LDB: Largest compute 230 load 0.529469 is 1.2% of average load 45.708385
LDB: Average compute 0.064005 is 0.1% of average load 45.708385
LDB: TIME 194.669 LOAD: AVG 45.7084 MAX 46.1007 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.48 MB
LDB: TIME 194.669 LOAD: AVG 45.7084 MAX 46.1007 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.48 MB
LDB: TIME 194.669 LOAD: AVG 45.7084 MAX 46.1007 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.48 MB
LDB: ============== END OF LOAD BALANCING =============== 194.67
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.671
Info: Benchmark time: 4 CPUs 0.460943 s/step 5.33498 days/ns 3224.48 MB memory
TIMING: 400 CPU: 188.704, 0.460643/step Wall: 188.704, 0.460644/step, 0.0127957 hours remaining, 3224.484375 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 22444.0479 19835.9109 5715.8942 173.8391 -338107.6290 23109.6384 0.0000 0.0000 44436.8095 -222391.4890 161.6489 -266828.2985 -222049.2226 161.6489 -4939.3793 -2681.7023 921491.4634 -4939.3793 -2681.7023
ENERGY: 403 20784.9694 19778.4829 5715.7218 174.2695 -337239.9786 23077.8407 0.0000 0.0000 45225.5959 -222483.0984 164.5183 -267708.6943 -222046.6854 164.5183 -3613.5976 -2605.7427 921491.4634 -3613.5976 -2605.7427
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ENERGY: 408 19735.8472 19387.6643 5692.2152 187.5226 -335902.8223 23017.8177 0.0000 0.0000 45394.4121 -222487.3431 165.1324 -267881.7553 -222063.5311 165.1324 -920.8281 -2294.1555 921491.4634 -920.8281 -2294.1555
ENERGY: 409 20350.1192 19376.4607 5688.4775 191.1593 -336896.6852 23057.9925 0.0000 0.0000 45733.6058 -222498.8703 166.3663 -268232.4761 -222051.6704 166.3663 -2367.4921 -2346.9325 921491.4634 -2367.4921 -2346.9325
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: 413 21130.1417 20138.5249 5699.9334 199.7191 -337872.5321 23125.1117 0.0000 0.0000 45113.2146 -222465.8868 164.1095 -267579.1013 -222055.3452 164.1095 -3850.6269 -2398.9549 921491.4634 -3850.6269 -2398.9549
ENERGY: 414 19987.3857 20381.5506 5705.1135 199.5118 -337122.7800 23094.4558 0.0000 0.0000 45271.6530 -222483.1096 164.6858 -267754.7625 -222052.1622 164.6858 -2501.3240 -2333.9464 921491.4634 -2501.3240 -2333.9464
ENERGY: 415 19745.2666 20572.1259 5708.7452 198.1487 -336456.1975 23071.1992 0.0000 0.0000 44733.2276 -222427.4843 162.7272 -267160.7119 -222049.0344 162.7272 -1174.6450 -2266.5615 921491.4634 -1174.6450 -2266.5615
ENERGY: 416 19942.3169 20661.9896 5710.0857 195.6953 -336157.5865 23063.1715 0.0000 0.0000 44200.2854 -222384.0420 160.7885 -266584.3274 -222052.9643 160.7885 -282.7612 -2224.6897 921491.4634 -282.7612 -2224.6897
ENERGY: 417 20031.3750 20631.3210 5709.0494 192.4696 -336373.1080 23072.1098 0.0000 0.0000 44338.4623 -222398.3208 161.2911 -266736.7832 -222044.6992 161.2911 -112.4553 -2227.1700 921491.4634 -112.4553 -2227.1700
ENERGY: 418 20154.6650 20457.0910 5705.5847 188.6536 -336970.7872 23098.6726 0.0000 0.0000 44915.1425 -222450.9777 163.3889 -267366.1202 -222046.7092 163.3889 -671.8547 -2269.9922 921491.4634 -671.8547 -2269.9922
ENERGY: 419 20790.7635 20185.5525 5700.4810 184.6054 -337717.8761 23139.8023 0.0000 0.0000 45250.3101 -222466.3612 164.6082 -267716.6714 -222049.5949 164.6082 -1783.9424 -2336.6465 921491.4634 -1783.9424 -2336.6465
TIMING: 420 CPU: 197.891, 0.459352/step Wall: 197.891, 0.459352/step, 0.0102078 hours remaining, 3224.484375 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 -338225.0316 23208.5475 0.0000 0.0000 45004.7085 -222423.0760 163.7148 -267427.7844 -222052.8452 163.7148 -4363.1152 -2465.6373 921491.4634 -4363.1152 -2465.6373
ENERGY: 423 21418.8984 19324.4273 5689.6736 172.2146 -337416.8956 23180.6040 0.0000 0.0000 45183.9713 -222447.1065 164.3669 -267631.0778 -222051.5234 164.3669 -3955.8306 -2434.9306 921491.4634 -3955.8306 -2434.9306
ENERGY: 424 20531.3309 19270.7815 5692.6543 170.6563 -336406.2760 23140.4645 0.0000 0.0000 45151.0456 -222449.3428 164.2471 -267600.3885 -222060.4125 164.2471 -3030.1605 -2370.2032 921491.4634 -3030.1605 -2370.2032
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ENERGY: 426 19603.3346 19432.3068 5702.4947 169.0990 -335270.6873 23080.2892 0.0000 0.0000 44862.7385 -222420.4244 163.1983 -267283.1629 -222049.1087 163.1983 -1125.8048 -2237.7214 921491.4634 -1125.8048 -2237.7214
ENERGY: 427 19598.5316 19595.2897 5707.1504 168.7509 -335498.4317 23074.5006 0.0000 0.0000 44915.2776 -222438.9308 163.3894 -267354.2084 -222048.7336 163.3894 -741.9009 -2207.6354 921491.4634 -741.9009 -2207.6354
ENERGY: 428 20140.4230 19760.4169 5710.4629 168.5259 -336199.9854 23087.7677 0.0000 0.0000 44884.2594 -222448.1296 163.2766 -267332.3890 -222058.0549 163.2766 -935.5734 -2206.9584 921491.4634 -935.5734 -2206.9584
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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 22013.9875 20024.3738 5712.1700 168.1897 -338096.9205 23149.4493 0.0000 0.0000 44626.3097 -222402.4406 162.3382 -267028.7503 -222047.3914 162.3382 -2472.2459 -2268.0465 921491.4634 -2472.2459 -2268.0465
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ENERGY: 432 21768.3702 20188.6726 5710.3547 168.1086 -338651.2101 23176.0846 0.0000 0.0000 45177.9909 -222461.6286 164.3451 -267639.6194 -222065.9059 164.3451 -3350.2741 -2296.1497 921491.4634 -3350.2741 -2296.1497
ENERGY: 433 21200.9071 20275.9666 5710.3763 168.4633 -338164.0636 23162.2911 0.0000 0.0000 45192.9281 -222453.1312 164.3995 -267646.0593 -222052.5983 164.3995 -3187.3731 -2272.1276 921491.4634 -3187.3731 -2272.1276
ENERGY: 434 20730.3412 20338.1502 5711.6061 169.3247 -337394.2703 23140.7735 0.0000 0.0000 44883.0994 -222420.9752 163.2724 -267304.0746 -222051.1463 163.2724 -2694.3105 -2227.7885 921491.4634 -2694.3105 -2227.7885
ENERGY: 435 20235.2200 20362.4017 5714.0003 170.8455 -336680.6554 23123.4097 0.0000 0.0000 44675.9836 -222398.7945 162.5189 -267074.7781 -222049.5889 162.5189 -2061.3580 -2179.8951 921491.4634 -2061.3580 -2179.8951
ENERGY: 436 19670.9242 20349.9984 5717.2345 173.0864 -336303.8811 23119.9078 0.0000 0.0000 44847.0981 -222425.6317 163.1414 -267272.7298 -222059.6959 163.1414 -1520.6597 -2145.1617 921491.4634 -1520.6597 -2145.1617
ENERGY: 437 19434.5516 20329.5095 5720.9894 175.9827 -336411.9784 23136.3868 0.0000 0.0000 45159.2684 -222455.2901 164.2770 -267614.5585 -222050.7503 164.2770 -1319.1169 -2134.4849 921491.4634 -1319.1169 -2134.4849
ENERGY: 438 19935.1534 20278.6098 5724.6884 179.3848 -336899.4576 23173.5519 0.0000 0.0000 45148.1320 -222459.9373 164.2365 -267608.0693 -222051.5668 164.2365 -1493.0943 -2145.0881 921491.4634 -1493.0943 -2145.0881
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TIMING: 440 CPU: 207.07, 0.458979/step Wall: 207.07, 0.458979/step, 0.00764966 hours remaining, 3224.484375 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 -338123.1804 23276.2486 0.0000 0.0000 44417.5455 -222405.1078 161.5788 -266822.6533 -222059.4772 161.5788 -2408.4613 -2197.9670 921491.4634 -2408.4613 -2197.9670
ENERGY: 441 22355.5485 19860.0409 5730.3488 190.1146 -338361.1711 23313.2045 0.0000 0.0000 44502.6961 -222409.2178 161.8886 -266911.9139 -222050.0859 161.8886 -2716.1027 -2221.5312 921491.4634 -2716.1027 -2221.5312
ENERGY: 442 21853.6116 19664.5348 5729.4854 192.9412 -338090.1528 23327.1568 0.0000 0.0000 44880.6318 -222441.7913 163.2634 -267322.4231 -222049.7754 163.2634 -2710.5574 -2229.0695 921491.4634 -2710.5574 -2229.0695
ENERGY: 443 21064.3315 19487.0720 5727.6164 194.9329 -337369.3145 23320.0158 0.0000 0.0000 45118.1105 -222457.2353 164.1273 -267575.3458 -222048.5995 164.1273 -2448.1645 -2220.3530 921491.4634 -2448.1645 -2220.3530
ENERGY: 444 20449.3363 19357.2687 5725.4095 195.8735 -336464.1921 23301.5276 0.0000 0.0000 44987.7175 -222447.0590 163.6530 -267434.7765 -222057.9800 163.6530 -2090.2097 -2206.4400 921491.4634 -2090.2097 -2206.4400
ENERGY: 445 20125.5608 19307.2515 5723.6513 195.6942 -335759.3914 23283.8138 0.0000 0.0000 44708.7155 -222414.7043 162.6380 -267123.4198 -222046.5430 162.6380 -1846.9625 -2201.6926 921491.4634 -1846.9625 -2201.6926
ENERGY: 446 19947.6805 19324.9004 5722.5429 194.3235 -335494.5710 23276.0450 0.0000 0.0000 44620.2946 -222408.7841 162.3164 -267029.0787 -222046.1622 162.3164 -1800.7518 -2216.7294 921491.4634 -1800.7518 -2216.7294
ENERGY: 447 19914.2849 19416.0209 5722.2107 191.8641 -335769.4404 23282.7457 0.0000 0.0000 44816.5089 -222425.8052 163.0301 -267242.3141 -222046.8345 163.0301 -1993.3114 -2253.0604 921491.4634 -1993.3114 -2253.0604
ENERGY: 448 20187.5924 19583.6800 5722.5764 188.5554 -336503.1805 23303.8904 0.0000 0.0000 45065.6674 -222451.2185 163.9365 -267516.8860 -222059.3481 163.9365 -2372.1881 -2303.7899 921491.4634 -2372.1881 -2303.7899
ENERGY: 449 20877.4063 19832.6987 5723.5712 184.8596 -337500.9078 23334.5923 0.0000 0.0000 45101.1678 -222446.6120 164.0657 -267547.7798 -222047.7100 164.0657 -2827.1084 -2356.1408 921491.4634 -2827.1084 -2356.1408
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4855 20108.1302 5724.4776 181.0898 -338419.3257 23364.6243 0.0000 0.0000 44854.3098 -222432.2087 163.1677 -267286.5185 -222048.7861 163.1677 -3116.6760 -2394.3897 921491.4634 -3116.6760 -2394.3897
ENERGY: 451 22355.5902 20357.7257 5724.7143 177.6517 -338952.0917 23381.8007 0.0000 0.0000 44542.6990 -222411.9101 162.0341 -266954.6091 -222048.8246 162.0341 -3074.2535 -2405.7798 921491.4634 -3074.2535 -2405.7798
ENERGY: 452 22246.2014 20536.0136 5723.8953 174.8859 -338927.1545 23378.0944 0.0000 0.0000 44452.9200 -222415.1439 161.7075 -266868.0639 -222059.6370 161.7075 -2659.9605 -2384.7568 921491.4634 -2659.9605 -2384.7568
ENERGY: 453 21399.8726 20641.1312 5722.2878 173.1350 -338392.7941 23354.5908 0.0000 0.0000 44683.7036 -222418.0730 162.5470 -267101.7766 -222043.5371 162.5470 -2048.3337 -2342.4668 921491.4634 -2048.3337 -2342.4668
ENERGY: 454 20248.3382 20654.1375 5720.2217 172.3637 -337567.1422 23320.6902 0.0000 0.0000 45008.1467 -222443.2441 163.7273 -267451.3909 -222041.8391 163.7273 -1453.4577 -2293.1450 921491.4634 -1453.4577 -2293.1450
ENERGY: 455 19486.7906 20584.7121 5718.4844 172.5169 -336790.6459 23290.4024 0.0000 0.0000 45086.5791 -222451.1603 164.0126 -267537.7394 -222040.8570 164.0126 -1151.8822 -2255.8572 921491.4634 -1151.8822 -2255.8572
ENERGY: 456 19493.3721 20440.6801 5717.7555 173.4249 -336350.1083 23274.9632 0.0000 0.0000 44811.4728 -222438.4396 163.0118 -267249.9125 -222055.3487 163.0118 -1305.5004 -2245.5824 921491.4634 -1305.5004 -2245.5824
ENERGY: 457 20047.4930 20251.9435 5718.5580 174.9241 -336395.8172 23277.8276 0.0000 0.0000 44521.8706 -222403.2003 161.9583 -266925.0710 -222049.4133 161.9583 -1906.4166 -2263.5013 921491.4634 -1906.4166 -2263.5013
ENERGY: 458 20585.8437 20019.2723 5720.7060 176.6081 -336835.0965 23294.7175 0.0000 0.0000 44632.7888 -222405.1600 162.3618 -267037.9488 -222051.2823 162.3618 -2684.6990 -2301.0427 921491.4634 -2684.6990 -2301.0427
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TIMING: 460 CPU: 216.238, 0.4584/step Wall: 216.238, 0.4584/step, 0.00509334 hours remaining, 3224.484375 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6139 19597.9063 5728.0971 179.4910 -338014.3771 23341.8004 0.0000 0.0000 45423.8566 -222480.6118 165.2395 -267904.4684 -222064.6837 165.2395 -3669.8205 -2365.2413 921491.4634 -3669.8205 -2365.2413
ENERGY: 461 21862.8762 19507.1073 5732.5752 180.4333 -338251.6218 23355.3938 0.0000 0.0000 45154.6139 -222458.6221 164.2601 -267613.2360 -222058.0508 164.2601 -3556.1667 -2361.1800 921491.4634 -3556.1667 -2361.1800
ENERGY: 462 22264.2254 19487.8106 5736.4822 180.9531 -337988.7171 23351.1089 0.0000 0.0000 44559.9292 -222408.2076 162.0968 -266968.1368 -222056.7216 162.0968 -2954.8199 -2323.4251 921491.4634 -2954.8199 -2323.4251
ENERGY: 463 21821.1790 19513.9012 5738.9361 181.1160 -337284.1029 23326.9480 0.0000 0.0000 44313.4572 -222388.5654 161.2002 -266702.0225 -222054.6244 161.2002 -2012.4422 -2264.0779 921491.4634 -2012.4422 -2264.0779
ENERGY: 464 20535.2459 19559.9268 5739.2518 181.0096 -336389.3838 23291.1945 0.0000 0.0000 44654.0269 -222428.7283 162.4391 -267082.7552 -222058.5728 162.4391 -1050.9223 -2205.5267 921491.4634 -1050.9223 -2205.5267
ENERGY: 465 19322.7825 19631.8850 5737.2899 180.7155 -335701.1535 23259.7395 0.0000 0.0000 45094.5692 -222474.1718 164.0416 -267568.7411 -222052.9386 164.0416 -512.3344 -2174.4007 921491.4634 -512.3344 -2174.4007
ENERGY: 466 19088.4510 19708.3579 5733.2107 180.2808 -335443.7730 23245.0608 0.0000 0.0000 45020.7913 -222467.6205 163.7733 -267488.4119 -222052.9784 163.7733 -630.3313 -2182.6710 921491.4634 -630.3313 -2182.6710
ENERGY: 467 19841.8073 19783.1741 5727.6704 179.7757 -335721.0959 23249.4534 0.0000 0.0000 44523.6670 -222415.5481 161.9649 -266939.2151 -222054.3493 161.9649 -1393.6031 -2232.5923 921491.4634 -1393.6031 -2232.5923
ENERGY: 468 20761.8486 19845.4943 5721.5089 179.2779 -336451.5678 23265.8130 0.0000 0.0000 44291.6589 -222385.9662 161.1209 -266677.6251 -222056.3590 161.1209 -2508.6717 -2314.1340 921491.4634 -2508.6717 -2314.1340
ENERGY: 469 21236.3019 19910.2024 5715.6824 178.8504 -337458.3216 23284.3967 0.0000 0.0000 44720.3207 -222412.5671 162.6802 -267132.8879 -222046.0749 162.6802 -3596.7409 -2405.7972 921491.4634 -3596.7409 -2405.7972
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1732 19972.8937 5710.9491 178.5947 -338383.2524 23297.0678 0.0000 0.0000 45346.4582 -222466.1156 164.9580 -267812.5738 -222047.6088 164.9580 -4259.6997 -2477.6831 921491.4634 -4259.6997 -2477.6831
ENERGY: 471 21732.8677 20054.6839 5707.9626 178.5890 -338913.2469 23297.5091 0.0000 0.0000 45471.3376 -222470.2970 165.4122 -267941.6346 -222047.5358 165.4122 -4290.5683 -2504.3175 921491.4634 -4290.5683 -2504.3175
ENERGY: 472 22081.2360 20161.5555 5707.0091 178.9047 -338870.6787 23279.4498 0.0000 0.0000 45028.5306 -222433.9931 163.8014 -267462.5237 -222059.5060 163.8014 -3659.7359 -2479.9184 921491.4634 -3659.7359 -2479.9184
ENERGY: 473 21866.1362 20289.3429 5707.9843 179.6165 -338307.7212 23240.7370 0.0000 0.0000 44634.5183 -222389.3861 162.3681 -267023.9043 -222043.8541 162.3681 -2556.3613 -2408.1658 921491.4634 -2556.3613 -2408.1658
ENERGY: 474 20842.9704 20372.0989 5710.2160 180.7467 -337438.4575 23189.2355 0.0000 0.0000 44733.2317 -222409.9583 162.7272 -267143.1900 -222041.2621 162.7272 -1295.5522 -2316.2728 921491.4634 -1295.5522 -2316.2728
ENERGY: 475 19674.2080 20371.7676 5712.9876 182.2512 -336604.2337 23142.3826 0.0000 0.0000 45070.2149 -222450.4218 163.9531 -267520.6368 -222039.4532 163.9531 -344.6447 -2232.2126 921491.4634 -344.6447 -2232.2126
ENERGY: 476 19235.7863 20282.0276 5715.7683 184.0125 -336100.0924 23115.8475 0.0000 0.0000 45106.0643 -222460.5859 164.0835 -267566.6502 -222053.6135 164.0835 -92.4048 -2183.0651 921491.4634 -92.4048 -2183.0651
ENERGY: 477 19704.7253 20145.9815 5718.4976 185.9230 -336101.8810 23114.2948 0.0000 0.0000 44812.3215 -222420.1372 163.0149 -267232.4587 -222044.8408 163.0149 -667.4946 -2171.8227 921491.4634 -667.4946 -2171.8227
ENERGY: 478 20493.4780 19974.7640 5721.0254 187.7262 -336537.4055 23131.2470 0.0000 0.0000 44627.0337 -222402.1312 162.3409 -267029.1649 -222047.4104 162.3409 -1807.1605 -2198.7954 921491.4634 -1807.1605 -2198.7954
ENERGY: 479 21125.3060 19793.3957 5723.3295 189.2099 -337215.5853 23156.6782 0.0000 0.0000 44802.1582 -222425.5080 162.9779 -267227.6661 -222050.5457 162.9779 -3089.8516 -2246.7915 921491.4634 -3089.8516 -2246.7915
TIMING: 480 CPU: 225.403, 0.458222/step Wall: 225.403, 0.458222/step, 0.00254568 hours remaining, 3224.484375 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 21624.0327 19623.1964 5725.3111 190.1901 -337854.6799 23181.5128 0.0000 0.0000 45051.6818 -222458.7551 163.8856 -267510.4369 -222064.6210 163.8856 -4077.7326 -2291.4890 921491.4634 -4077.7326 -2291.4890
ENERGY: 481 22092.4852 19510.0431 5727.0952 190.6351 -338199.2491 23196.7969 0.0000 0.0000 45041.3371 -222440.8563 163.8480 -267482.1935 -222052.5266 163.8480 -4466.2391 -2305.6730 921491.4634 -4466.2391 -2305.6730
ENERGY: 482 22186.3467 19466.6791 5728.4964 190.3598 -338044.5426 23192.7485 0.0000 0.0000 44865.8522 -222414.0601 163.2096 -267279.9122 -222051.4113 163.2096 -4059.3093 -2278.0612 921491.4634 -4059.3093 -2278.0612
ENERGY: 483 21553.1413 19511.5742 5729.5660 189.3227 -337426.2192 23165.8751 0.0000 0.0000 44861.8970 -222414.8430 163.1953 -267276.7400 -222048.7673 163.1953 -2964.1716 -2216.4113 921491.4634 -2964.1716 -2216.4113
ENERGY: 484 20460.8925 19631.1936 5730.2465 187.5455 -336590.8891 23126.1362 0.0000 0.0000 45003.6032 -222451.2717 163.7107 -267454.8749 -222059.8742 163.7107 -1565.2419 -2143.1847 921491.4634 -1565.2419 -2143.1847
ENERGY: 485 19688.7721 19800.2989 5730.5256 185.2458 -335902.5874 23092.8481 0.0000 0.0000 44955.5725 -222449.3245 163.5360 -267404.8970 -222045.9605 163.5360 -422.1565 -2086.8733 921491.4634 -422.1565 -2086.8733
ENERGY: 486 19602.5428 19954.8175 5729.7198 182.4662 -335612.3577 23080.3817 0.0000 0.0000 44645.9115 -222416.5181 162.4096 -267062.4296 -222044.6760 162.4096 87.3182 -2070.0980 921491.4634 87.3182 -2070.0980
ENERGY: 487 19881.0929 20072.0213 5727.4347 179.4360 -335846.4492 23091.0554 0.0000 0.0000 44503.3490 -222392.0598 161.8910 -266895.4088 -222045.2406 161.8910 -192.2347 -2106.8839 921491.4634 -192.2347 -2106.8839
ENERGY: 488 20125.2102 20156.1364 5723.5441 176.4338 -336552.5463 23118.8626 0.0000 0.0000 44827.0553 -222425.3040 163.0685 -267252.3593 -222057.1937 163.0685 -1145.7534 -2194.6677 921491.4634 -1145.7534 -2194.6677
ENERGY: 489 20526.8873 20236.4612 5718.5748 173.8639 -337540.4666 23156.7320 0.0000 0.0000 45266.1001 -222461.8472 164.6656 -267727.9473 -222045.6085 164.6656 -2511.2405 -2316.7064 921491.4634 -2511.2405 -2316.7064
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7490 20292.9025 5712.8912 171.8438 -338458.1371 23196.4887 0.0000 0.0000 45213.5627 -222459.6992 164.4745 -267673.2619 -222048.2207 164.4745 -3823.4037 -2437.4152 921491.4634 -3823.4037 -2437.4152
ENERGY: 491 22430.4639 20312.1364 5707.3795 170.5404 -338984.5803 23226.0946 0.0000 0.0000 44733.0088 -222404.9567 162.7264 -267137.9655 -222049.4637 162.7264 -4629.6930 -2524.6212 921491.4634 -4629.6930 -2524.6212
ENERGY: 492 22612.9546 20289.6814 5702.9944 170.0208 -338937.5826 23232.7214 0.0000 0.0000 44542.1950 -222387.0150 162.0323 -266929.2101 -222060.3860 162.0323 -4606.8519 -2557.4727 921491.4634 -4606.8519 -2557.4727
ENERGY: 493 21558.2186 20260.7377 5700.7779 170.3200 -338358.0644 23214.0545 0.0000 0.0000 45033.8231 -222420.1326 163.8207 -267453.9557 -222046.5900 163.8207 -3796.3813 -2540.0994 921491.4634 -3796.3813 -2540.0994
ENERGY: 494 20068.3364 20225.0264 5700.9806 171.2193 -337454.3846 23183.0803 0.0000 0.0000 45622.2478 -222483.4939 165.9612 -268105.7417 -222044.0867 165.9612 -2500.8987 -2482.1066 921491.4634 -2500.8987 -2482.1066
ENERGY: 495 19383.2462 20186.8304 5703.5926 172.5416 -336566.9899 23159.4632 0.0000 0.0000 45484.1234 -222477.1925 165.4587 -267961.3159 -222041.5563 165.4587 -1249.6834 -2407.3054 921491.4634 -1249.6834 -2407.3054
ENERGY: 496 19722.4835 20130.6476 5708.0350 174.0933 -335998.7172 23154.2643 0.0000 0.0000 44699.5273 -222409.6661 162.6046 -267109.1934 -222049.0671 162.6046 -478.8997 -2343.4749 921491.4634 -478.8997 -2343.4749
ENERGY: 497 20212.6672 20059.9179 5713.4613 175.7242 -335952.5060 23166.3552 0.0000 0.0000 44261.0290 -222363.3512 161.0095 -266624.3802 -222042.7502 161.0095 -421.0234 -2316.7927 921491.4634 -421.0234 -2316.7927
ENERGY: 498 20182.0169 19957.1217 5718.5596 177.2604 -336366.4951 23189.3592 0.0000 0.0000 44728.2538 -222413.9235 162.7091 -267142.1773 -222044.5221 162.7091 -993.4681 -2331.6471 921491.4634 -993.4681 -2331.6471
ENERGY: 499 20158.0681 19847.7309 5722.4089 178.6361 -337058.4842 23219.2411 0.0000 0.0000 45439.2650 -222493.1341 165.2956 -267932.3991 -222047.2064 165.2956 -2020.8689 -2376.3389 921491.4634 -2020.8689 -2376.3389
Info: Benchmark time: 4 CPUs 0.457896 s/step 5.29972 days/ns 3224.48 MB memory
TIMING: 500 CPU: 234.493, 0.454531/step Wall: 234.493, 0.454531/step, 0 hours remaining, 3224.484375 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 20974.8938 19756.6582 5724.4523 179.8271 -337741.4205 23251.1015 0.0000 0.0000 45359.0787 -222495.4089 165.0039 -267854.4876 -222061.0907 165.0039 -3197.5167 -2425.4139 921491.4634 -3197.5167 -2425.4139
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, 3229.246 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.246 MB of memory in use
====================================================
WallClock: 241.345154 CPUTime: 241.345154 Memory: 3229.246094 MB
[Partition 0][Node 0] End of program
Application 94290984 resources: utime ~948s, stime ~19s, Rss ~126696, inblocks ~67011, outblocks ~72238
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins9035581840051079447.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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