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 ============== 54.5545
LDB: Largest compute 200 load 0.430774 is 1.2% of average load 36.829322
LDB: Average compute 0.051598 is 0.1% of average load 36.829322
LDB: Partitioning computes with target load 3.682932
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055314
LDB: ============== END OF LOAD BALANCING =============== 54.5566
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.5575
Info: Initial time: 4 CPUs 0.474429 s/step 5.49108 days/ns 3221.51 MB memory
TIMING: 100 CPU: 48.4194, 0.473321/step Wall: 48.4194, 0.473321/step, 0.0525913 hours remaining, 3221.507812 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 ============== 64.0074
LDB: ============== END OF LOAD BALANCING =============== 64.0075
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.008
TIMING: 120 CPU: 57.8673, 0.472397/step Wall: 57.8673, 0.472397/step, 0.0498641 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 -334776.0137 21118.0422 0.0000 0.0000 44811.1497 -222472.9668 163.0106 -267284.1164 -222216.5365 163.0106 -5536.0556 -2842.3154 921491.4634 -5536.0556 -2842.3154
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ENERGY: 133 21569.7010 21939.4306 5759.4053 191.1377 -334187.7138 21049.8505 0.0000 0.0000 41346.5715 -222331.6172 150.4075 -263678.1887 -222209.0242 150.4075 -2436.6192 -2806.2333 921491.4634 -2436.6192 -2806.2333
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ENERGY: 138 21874.8525 19195.4803 5730.8549 192.8766 -333203.4344 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8377 -222213.1814 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.3125, 0.472258/step Wall: 67.3125, 0.472258/step, 0.0472258 hours remaining, 3221.957031 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 20992.5978 17997.1578 5722.1741 192.2140 -333726.9442 21127.4060 0.0000 0.0000 45144.2513 -222551.1432 164.2224 -267695.3945 -222224.0361 164.2224 -5617.7628 -3080.3638 921491.4634 -5617.7628 -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
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TIMING: 160 CPU: 76.7439, 0.471571/step Wall: 76.7439, 0.471571/step, 0.0445372 hours remaining, 3222.121094 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: 160 21093.2844 18859.3046 5717.0749 174.4915 -333735.9154 20833.5471 0.0000 0.0000 44515.8597 -222542.3532 161.9365 -267058.2129 -222175.6786 161.9365 -3202.8706 -2752.7604 921491.4634 -3202.8706 -2752.7604
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ENERGY: 162 22512.8125 18508.1492 5697.2826 183.0024 -333202.6495 20887.8856 0.0000 0.0000 43070.6068 -222342.9103 156.6790 -265413.5171 -222161.4906 156.6790 -5004.1554 -2859.8871 921491.4634 -5004.1554 -2859.8871
ENERGY: 163 21937.9852 18346.8656 5696.1509 188.4544 -332368.8222 20884.6195 0.0000 0.0000 43005.6962 -222309.0504 156.4429 -265314.7466 -222160.7800 156.4429 -4776.8220 -2868.7270 921491.4634 -4776.8220 -2868.7270
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ENERGY: 168 21619.4181 19999.6889 5775.3367 206.4584 -333382.4926 20963.4338 0.0000 0.0000 42492.3351 -222325.8217 154.5754 -264818.1568 -222149.7708 154.5754 -1735.9905 -2933.5977 921491.4634 -1735.9905 -2933.5977
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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 18891.7630 5743.5896 160.0071 -332124.2129 20943.2095 0.0000 0.0000 44722.5120 -222468.0278 162.6882 -267190.5398 -222127.3370 162.6882 -2658.3221 -2727.5044 921491.4634 -2658.3221 -2727.5044
ENERGY: 177 21863.3195 18664.1735 5738.9484 156.2659 -332371.2413 20981.6518 0.0000 0.0000 42714.2625 -222252.6196 155.3827 -264966.8821 -222125.5137 155.3827 -2870.6847 -2681.8090 921491.4634 -2870.6847 -2681.8090
ENERGY: 178 21917.7899 18733.9559 5737.6245 154.5770 -332975.2976 21015.2132 0.0000 0.0000 43101.1545 -222314.9825 156.7902 -265416.1371 -222126.1322 156.7902 -2936.2257 -2665.7683 921491.4634 -2936.2257 -2665.7683
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TIMING: 180 CPU: 86.1611, 0.470864/step Wall: 86.1611, 0.470864/step, 0.0418546 hours remaining, 3222.261719 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: 183 22149.3486 19677.1533 5722.7616 169.5349 -332921.8736 21084.4911 0.0000 0.0000 41834.8234 -222283.7607 152.1836 -264118.5841 -222131.2590 152.1836 -1990.8045 -2626.5157 921491.4634 -1990.8045 -2626.5157
ENERGY: 184 18376.8755 19424.9915 5710.5469 174.1844 -332181.9079 21042.4479 0.0000 0.0000 44880.5527 -222572.3091 163.2631 -267452.8618 -222144.6142 163.2631 -1576.6176 -2645.2274 921491.4634 -1576.6176 -2645.2274
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ENERGY: 186 19266.0406 19234.9570 5686.4352 181.9571 -332240.0937 21043.7459 0.0000 0.0000 44391.5888 -222435.3691 161.4844 -266826.9579 -222129.2888 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1127 21076.9264 0.0000 0.0000 42449.0057 -222222.0801 154.4178 -264671.0858 -222130.9080 154.4178 -3641.8537 -2802.0867 921491.4634 -3641.8537 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 196 19755.8663 19594.9320 5717.4229 183.5644 -332319.6951 21082.8579 0.0000 0.0000 43603.6155 -222381.4362 158.6180 -265985.0518 -222096.3128 158.6180 -1480.5940 -2574.8092 921491.4634 -1480.5940 -2574.8092
ENERGY: 197 21700.3670 19122.7579 5714.1451 184.7200 -332668.2732 21129.4588 0.0000 0.0000 42574.3656 -222242.4588 154.8738 -264816.8244 -222086.7181 154.8738 -3040.7437 -2596.5494 921491.4634 -3040.7437 -2596.5494
ENERGY: 198 21224.0060 18800.3005 5711.3574 186.3640 -333385.4998 21161.1533 0.0000 0.0000 43911.2864 -222391.0321 159.7372 -266302.3186 -222090.4392 159.7372 -4381.6809 -2646.7680 921491.4634 -4381.6809 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.724
LDB: Largest compute 200 load 0.425570 is 1.2% of average load 36.649980
LDB: Average compute 0.051336 is 0.1% of average load 36.649980
LDB: TIME 101.726 LOAD: AVG 36.65 MAX 37.7164 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.57 MB
LDB: TIME 101.729 LOAD: AVG 36.65 MAX 37.5845 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.57 MB
LDB: ============== END OF LOAD BALANCING =============== 101.73
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.734
Info: Initial time: 4 CPUs 0.471648 s/step 5.45889 days/ns 3223.48 MB memory
TIMING: 200 CPU: 95.594, 0.471645/step Wall: 95.594, 0.471645/step, 0.0393037 hours remaining, 3223.484375 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: 201 23380.1030 18674.3333 5716.2802 191.4189 -334751.7130 21239.1340 0.0000 0.0000 43222.4694 -222327.9742 157.2315 -265550.4436 -222100.1078 157.2315 -4546.2004 -2661.1900 921491.4634 -4546.2004 -2661.1900
ENERGY: 202 23622.8116 18850.8450 5722.5980 192.1474 -334305.3005 21243.2752 0.0000 0.0000 42432.5588 -222241.0647 154.3580 -264673.6234 -222096.8290 154.3580 -3005.0518 -2588.0013 921491.4634 -3005.0518 -2588.0013
ENERGY: 203 20743.8944 19130.0390 5729.2400 192.0764 -333501.9372 21215.8254 0.0000 0.0000 44059.6987 -222431.1634 160.2771 -266490.8620 -222093.6426 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6124 19486.9556 5734.1463 191.2124 -332722.2197 21188.8403 0.0000 0.0000 45629.4719 -222628.9808 165.9875 -268258.4527 -222116.7000 165.9875 452.9933 -2462.2929 921491.4634 452.9933 -2462.2929
ENERGY: 205 18189.0791 19868.9414 5735.7153 189.6741 -332398.2549 21197.9186 0.0000 0.0000 44690.7149 -222526.2115 162.5725 -267216.9264 -222099.8059 162.5725 731.8535 -2447.6353 921491.4634 731.8535 -2447.6353
ENERGY: 206 20668.8902 20170.9985 5732.9811 187.6404 -332716.3433 21241.8391 0.0000 0.0000 42439.0585 -222274.9355 154.3816 -264713.9940 -222100.3396 154.3816 -230.6568 -2488.2937 921491.4634 -230.6568 -2488.2937
ENERGY: 207 21693.8032 20338.2891 5726.5434 185.3060 -333603.9791 21289.9001 0.0000 0.0000 42143.6915 -222226.4457 153.3072 -264370.1372 -222103.0930 153.3072 -1896.3478 -2585.9682 921491.4634 -1896.3478 -2585.9682
ENERGY: 208 20293.2703 20371.8904 5718.1572 182.8654 -334789.2378 21322.2410 0.0000 0.0000 44428.6271 -222472.1864 161.6191 -266900.8135 -222122.6313 161.6191 -3669.0642 -2719.7951 921491.4634 -3669.0642 -2719.7951
ENERGY: 209 19428.8171 20325.0059 5710.3389 180.5135 -335910.2414 21349.5044 0.0000 0.0000 46273.6801 -222642.3814 168.3309 -268916.0615 -222106.7899 168.3309 -5197.7273 -2836.6305 921491.4634 -5197.7273 -2836.6305
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1735 20194.2570 5705.3139 178.4614 -336615.7769 21385.1096 0.0000 0.0000 45251.4334 -222516.0281 164.6123 -267767.4614 -222108.2015 164.6123 -6091.3662 -2896.2626 921491.4634 -6091.3662 -2896.2626
ENERGY: 211 24099.1928 19985.8633 5704.9373 176.9105 -336667.8928 21415.1477 0.0000 0.0000 43031.7285 -222254.1127 156.5376 -265285.8412 -222106.8540 156.5376 -5900.2976 -2885.1009 921491.4634 -5900.2976 -2885.1009
ENERGY: 212 23739.2709 19730.8223 5710.0295 176.0352 -336013.6227 21412.5983 0.0000 0.0000 42995.1639 -222249.7025 156.4046 -265244.8664 -222104.2318 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2159 19524.5249 5720.1722 175.9508 -334874.6443 21380.5552 0.0000 0.0000 45418.7807 -222504.4446 165.2210 -267923.2253 -222097.3834 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5528 19421.7448 5733.3059 176.6827 -333645.3935 21358.4486 0.0000 0.0000 46958.4703 -222681.1884 170.8220 -269639.6587 -222093.7406 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5056 19441.9743 5746.5772 178.1492 -332787.3322 21379.5596 0.0000 0.0000 45302.6746 -222527.8916 164.7987 -267830.5662 -222091.0446 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4717 19522.5061 5756.9571 180.1770 -332560.1062 21436.4836 0.0000 0.0000 42442.1788 -222248.3318 154.3930 -264690.5106 -222073.6156 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3868 19581.4819 5762.2416 182.5517 -333010.6759 21497.2706 0.0000 0.0000 41983.6751 -222225.0682 152.7251 -264208.7434 -222064.4464 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9158 19540.0890 5761.2415 184.9927 -333856.1149 21546.6561 0.0000 0.0000 44178.6837 -222478.5360 160.7099 -266657.2197 -222068.8155 160.7099 -2628.0653 -2703.9746 921491.4634 -2628.0653 -2703.9746
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TIMING: 220 CPU: 105.031, 0.47183/step Wall: 105.031, 0.47183/step, 0.0366979 hours remaining, 3223.484375 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: 240 CPU: 114.46, 0.471465/step Wall: 114.46, 0.471465/step, 0.0340502 hours remaining, 3223.484375 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: 242 22110.7715 20111.8209 5758.5348 169.0441 -335904.8199 21831.0568 0.0000 0.0000 43526.8722 -222396.7197 158.3388 -265923.5918 -222063.5737 158.3388 -4623.1688 -2633.0913 921491.4634 -4623.1688 -2633.0913
ENERGY: 243 19462.3619 19969.6446 5749.3614 168.8705 -335233.7071 21770.4748 0.0000 0.0000 45537.0692 -222575.9247 165.6513 -268112.9939 -222061.6675 165.6513 -3760.4504 -2614.6992 921491.4634 -3760.4504 -2614.6992
ENERGY: 244 18822.2464 19849.3935 5737.4544 169.6534 -334482.6011 21720.5677 0.0000 0.0000 45629.1664 -222554.1192 165.9864 -268183.2856 -222078.7769 165.9864 -2667.7297 -2573.2149 921491.4634 -2667.7297 -2573.2149
ENERGY: 245 20148.2369 19811.7600 5725.7785 171.4559 -334087.5948 21701.2471 0.0000 0.0000 44168.5249 -222360.5915 160.6730 -266529.1165 -222068.6364 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5481 19853.7026 5716.8932 174.1558 -334213.1208 21705.0851 0.0000 0.0000 43600.4184 -222284.3176 158.6063 -265884.7360 -222067.4294 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5287 19979.6441 5712.7400 177.5412 -334802.1845 21719.8455 0.0000 0.0000 44912.1914 -222431.6935 163.3782 -267343.8849 -222068.1392 163.3782 -983.0001 -2552.5930 921491.4634 -983.0001 -2552.5930
ENERGY: 248 19035.4926 20164.4298 5713.8450 181.3144 -335623.1356 21746.4311 0.0000 0.0000 46185.9363 -222595.6865 168.0117 -268781.6228 -222090.3126 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9040 20013.1598 5733.2541 193.8023 -336093.2677 21826.9295 0.0000 0.0000 43905.3721 -222425.8457 159.7157 -266331.2179 -222091.3306 159.7157 -3843.4681 -2758.0339 921491.4634 -3843.4681 -2758.0339
ENERGY: 253 19499.8636 19667.1121 5729.5496 195.2411 -334977.1807 21784.0536 0.0000 0.0000 45520.0193 -222581.3413 165.5893 -268101.3606 -222082.7207 165.5893 -3300.1272 -2735.8132 921491.4634 -3300.1272 -2735.8132
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ENERGY: 255 20324.2312 19109.4101 5707.6062 196.0620 -333099.9234 21746.1515 0.0000 0.0000 43667.4212 -222349.0412 158.8501 -266016.4624 -222078.3977 158.8501 -2282.5425 -2662.7815 921491.4634 -2282.5425 -2662.7815
ENERGY: 256 20899.4410 18950.9578 5693.4518 195.6570 -332975.5973 21757.6848 0.0000 0.0000 43181.1612 -222297.2438 157.0812 -265478.4050 -222071.2739 157.0812 -2042.2410 -2664.5199 921491.4634 -2042.2410 -2664.5199
ENERGY: 257 20029.5654 18878.1873 5681.1759 194.7976 -333481.0040 21780.2419 0.0000 0.0000 44488.5468 -222428.4891 161.8371 -266917.0359 -222060.1684 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5868 18882.0666 5673.2911 193.6684 -334373.1545 21817.5077 0.0000 0.0000 45796.2577 -222556.7762 166.5942 -268353.0339 -222062.0608 166.5942 -2331.2329 -2737.1920 921491.4634 -2331.2329 -2737.1920
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TIMING: 260 CPU: 123.879, 0.470949/step Wall: 123.879, 0.470949/step, 0.0313966 hours remaining, 3223.789062 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: 262 21606.2723 19814.6777 5694.0656 188.7122 -336291.7858 21947.6074 0.0000 0.0000 44601.6346 -222438.8161 162.2485 -267040.4507 -222052.4323 162.2485 -3214.7560 -2810.4637 921491.4634 -3214.7560 -2810.4637
ENERGY: 263 19781.1228 20140.5622 5703.8103 187.9445 -335614.9712 21924.4740 0.0000 0.0000 45349.7771 -222527.2804 164.9700 -267877.0575 -222051.1548 164.9700 -2647.8114 -2773.3903 921491.4634 -2647.8114 -2773.3903
ENERGY: 264 19385.2260 20436.4305 5710.6950 187.5052 -334855.9511 21907.7772 0.0000 0.0000 44751.4783 -222476.8389 162.7936 -267228.3172 -222069.1984 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
ENERGY: 265 19946.8415 20681.9926 5713.6241 187.4392 -334395.6632 21906.0163 0.0000 0.0000 43607.6374 -222352.1121 158.6326 -265959.7495 -222054.3372 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7899 20788.8701 5712.1327 187.6137 -334399.4578 21914.4805 0.0000 0.0000 43399.3796 -222348.1912 157.8750 -265747.5709 -222054.3635 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0906 20691.2679 5707.0583 187.8501 -334831.4856 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 19962.9161 20375.7516 5700.1930 187.9286 -335513.7450 21959.1257 0.0000 0.0000 44823.5376 -222504.2925 163.0557 -267327.8301 -222075.9875 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1932 19450.9168 5690.3173 187.1618 -336650.6775 22028.8070 0.0000 0.0000 44308.0076 -222365.2738 161.1804 -266673.2814 -222067.0435 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
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ENERGY: 272 21021.5583 18896.0661 5692.8269 184.9335 -335921.4614 22015.0580 0.0000 0.0000 45607.7077 -222503.3109 165.9083 -268111.0187 -222081.1571 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7012 21985.5296 0.0000 0.0000 45502.7162 -222499.9694 165.5264 -268002.6856 -222069.0458 165.5264 -1837.1975 -2434.6760 921491.4634 -1837.1975 -2434.6760
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ENERGY: 276 19401.8502 19594.7508 5701.2547 182.4904 -333292.1283 21971.0409 0.0000 0.0000 44028.5272 -222412.2140 160.1637 -266440.7412 -222072.9394 160.1637 -1580.1301 -2417.6041 921491.4634 -1580.1301 -2417.6041
ENERGY: 277 19149.2973 19724.7160 5695.5210 182.9396 -333864.3455 21997.2387 0.0000 0.0000 44632.8112 -222481.8217 162.3619 -267114.6329 -222061.0987 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4577 19713.7760 5686.9122 183.6585 -334821.1004 22041.3359 0.0000 0.0000 44532.2541 -222463.7061 161.9961 -266995.9602 -222063.4130 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -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 -2682.8389 921491.4634 -4044.3213 -2682.8389
TIMING: 280 CPU: 133.291, 0.470599/step Wall: 133.291, 0.470599/step, 0.0287588 hours remaining, 3223.789062 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 20966.5624 5721.5031 185.8230 -334658.1151 22176.6863 0.0000 0.0000 43785.6881 -222425.2212 159.2803 -266210.9094 -222054.0582 159.2803 -1306.7503 -2717.2847 921491.4634 -1306.7503 -2717.2847
ENERGY: 287 19176.1191 20856.7824 5731.9346 184.4714 -334918.1483 22200.2910 0.0000 0.0000 44282.9437 -222485.6059 161.0892 -266768.5496 -222055.7253 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
ENERGY: 288 20263.2088 20475.2853 5736.9557 182.7335 -335468.3149 22237.9038 0.0000 0.0000 44116.9904 -222455.2374 160.4855 -266572.2278 -222066.9052 160.4855 -3310.5879 -2790.1554 921491.4634 -3310.5879 -2790.1554
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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 ============== 148.86
LDB: Largest compute 200 load 0.518264 is 1.1% of average load 45.718961
LDB: Average compute 0.064039 is 0.1% of average load 45.718961
LDB: TIME 148.862 LOAD: AVG 45.719 MAX 47.1267 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.14 MB
LDB: TIME 148.863 LOAD: AVG 45.719 MAX 47.1267 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.14 MB
LDB: TIME 148.879 LOAD: AVG 45.719 MAX 46.2379 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.14 MB
LDB: ============== END OF LOAD BALANCING =============== 148.88
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.882
Info: Initial time: 4 CPUs 0.470947 s/step 5.45077 days/ns 3224.14 MB memory
TIMING: 300 CPU: 142.71, 0.470973/step Wall: 142.71, 0.470973/step, 0.0261652 hours remaining, 3224.144531 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: 151.922, 0.460558/step Wall: 151.922, 0.460558/step, 0.0230279 hours remaining, 3224.144531 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: 161.129, 0.460362/step Wall: 161.129, 0.460362/step, 0.0204605 hours remaining, 3224.144531 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: 170.331, 0.460098/step Wall: 170.331, 0.460098/step, 0.0178927 hours remaining, 3224.144531 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 19612.6013 5699.8913 181.0103 -336175.2001 22790.5193 0.0000 0.0000 46034.3491 -222532.9312 167.4603 -268567.2803 -222068.5918 167.4603 -1420.0425 -2476.3757 921491.4634 -1420.0425 -2476.3757
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ENERGY: 368 20561.5938 19748.2118 5739.6691 179.8275 -335728.0876 22808.6652 0.0000 0.0000 44272.8409 -222417.2792 161.0524 -266690.1202 -222068.2911 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 21302.3707 19815.7282 5738.6027 179.1429 -337296.0556 22846.3049 0.0000 0.0000 44920.4946 -222493.4116 163.4084 -267413.9061 -222062.2625 163.4084 -4081.4437 -2576.8190 921491.4634 -4081.4437 -2576.8190
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ENERGY: 376 19884.0272 19962.1763 5703.2010 181.1433 -335321.8632 22772.8699 0.0000 0.0000 44434.3280 -222384.1175 161.6399 -266818.4455 -222050.5529 161.6399 -874.6222 -2439.6904 921491.4634 -874.6222 -2439.6904
ENERGY: 377 20646.4608 20251.1593 5706.5521 182.3248 -335763.5802 22794.3772 0.0000 0.0000 43848.2758 -222334.4302 159.5080 -266182.7061 -222041.4012 159.5080 -1819.5858 -2472.4987 921491.4634 -1819.5858 -2472.4987
ENERGY: 378 20473.8100 20495.6595 5711.4639 183.2952 -336584.2280 22821.5835 0.0000 0.0000 44474.7540 -222423.6620 161.7869 -266898.4160 -222044.3967 161.7869 -2972.9875 -2523.3500 921491.4634 -2972.9875 -2523.3500
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TIMING: 380 CPU: 179.525, 0.459735/step Wall: 179.525, 0.459735/step, 0.0153245 hours remaining, 3224.144531 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: 382 22844.1903 20220.4987 5718.3197 182.2157 -338010.6538 22930.5471 0.0000 0.0000 43766.5301 -222348.3521 159.2106 -266114.8822 -222051.0365 159.2106 -3524.7150 -2418.5489 921491.4634 -3524.7150 -2418.5489
ENERGY: 383 21263.6993 19910.9248 5714.6670 180.7420 -337128.0231 22911.2843 0.0000 0.0000 44707.9445 -222438.7613 162.6352 -267146.7058 -222048.1882 162.6352 -2023.0803 -2294.0133 921491.4634 -2023.0803 -2294.0133
ENERGY: 384 19625.4114 19596.0355 5710.5349 179.0647 -336052.0486 22884.2532 0.0000 0.0000 45539.1833 -222517.5656 165.6590 -268056.7489 -222062.0924 165.6590 -569.2378 -2166.9357 921491.4634 -569.2378 -2166.9357
ENERGY: 385 19327.8182 19356.8913 5707.7751 177.4354 -335210.6401 22871.6142 0.0000 0.0000 45299.7171 -222469.3888 164.7879 -267769.1059 -222051.0992 164.7879 215.3516 -2064.3636 921491.4634 215.3516 -2064.3636
ENERGY: 386 19981.2273 19220.9465 5707.6637 175.9385 -334865.1817 22880.7956 0.0000 0.0000 44519.8587 -222378.7514 161.9510 -266898.6101 -222051.0436 161.9510 122.6671 -2011.2427 921491.4634 122.6671 -2011.2427
ENERGY: 387 20367.2860 19202.4845 5710.9354 174.6759 -335109.8725 22905.2742 0.0000 0.0000 44377.1817 -222372.0348 161.4320 -266749.2165 -222053.0049 161.4320 -738.9585 -2019.1688 921491.4634 -738.9585 -2019.1688
ENERGY: 388 20282.3988 19280.0168 5717.2934 173.7038 -335824.1519 22938.2898 0.0000 0.0000 44972.7761 -222459.6731 163.5986 -267432.4493 -222067.4818 163.5986 -2063.8554 -2076.2820 921491.4634 -2063.8554 -2076.2820
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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: 390 21929.5053 19598.7448 5733.9032 172.7580 -337596.2513 23021.3361 0.0000 0.0000 44698.9837 -222441.0203 162.6026 -267140.0040 -222061.4796 162.6026 -4540.4924 -2229.7774 921491.4634 -4540.4924 -2229.7774
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ENERGY: 397 19906.7784 20200.7714 5721.4919 176.2273 -336102.8178 22990.0375 0.0000 0.0000 44712.8674 -222394.6440 162.6531 -267107.5113 -222042.6598 162.6531 -376.0862 -2327.2101 921491.4634 -376.0862 -2327.2101
ENERGY: 398 19692.8117 20133.3595 5716.9813 176.0456 -336812.3381 23014.0586 0.0000 0.0000 45592.7319 -222486.3495 165.8538 -268079.0814 -222045.7221 165.8538 -1710.2237 -2443.6964 921491.4634 -1710.2237 -2443.6964
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LDB: ============= START OF LOAD BALANCING ============== 194.897
LDB: Largest compute 230 load 0.522816 is 1.1% of average load 45.679674
LDB: Average compute 0.063976 is 0.1% of average load 45.679674
LDB: TIME 194.899 LOAD: AVG 45.6797 MAX 46.0153 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.14 MB
LDB: TIME 194.9 LOAD: AVG 45.6797 MAX 46.0153 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.14 MB
LDB: TIME 194.9 LOAD: AVG 45.6797 MAX 46.0153 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.14 MB
LDB: ============== END OF LOAD BALANCING =============== 194.9
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.901
Info: Benchmark time: 4 CPUs 0.460085 s/step 5.32505 days/ns 3224.14 MB memory
TIMING: 400 CPU: 188.723, 0.459876/step Wall: 188.723, 0.459876/step, 0.0127743 hours remaining, 3224.144531 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: 400 21983.9557 19981.4885 5714.2278 174.7229 -338264.6730 23090.3529 0.0000 0.0000 44890.2680 -222429.6572 163.2985 -267319.9253 -222060.6833 163.2985 -4748.6079 -2656.9998 921491.4634 -4748.6079 -2656.9998
ENERGY: 401 23053.7071 19909.1479 5715.0561 174.0724 -338477.1025 23114.9568 0.0000 0.0000 44157.6677 -222352.4945 160.6335 -266510.1622 -222050.1992 160.6335 -5384.8815 -2700.1794 921491.4634 -5384.8815 -2700.1794
ENERGY: 402 22444.0478 19835.9109 5715.8942 173.8391 -338107.6287 23109.6379 0.0000 0.0000 44436.8096 -222391.4892 161.6489 -266828.2988 -222049.2228 161.6489 -4939.3794 -2681.7024 921491.4634 -4939.3794 -2681.7024
ENERGY: 403 20784.9695 19778.4828 5715.7217 174.2695 -337239.9783 23077.8404 0.0000 0.0000 45225.5959 -222483.0986 164.5183 -267708.6945 -222046.6856 164.5183 -3613.5977 -2605.7428 921491.4634 -3613.5977 -2605.7428
ENERGY: 404 19687.5954 19735.4027 5713.8113 175.5084 -336169.1141 23038.2902 0.0000 0.0000 45313.8389 -222504.6672 164.8393 -267818.5060 -222060.2374 164.8393 -1967.0745 -2494.0438 921491.4634 -1967.0745 -2494.0438
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ENERGY: 406 20210.3503 19614.0441 5704.4964 180.4779 -334953.8238 22994.4765 0.0000 0.0000 43902.7661 -222347.2124 159.7062 -266249.9785 -222046.2407 159.7062 66.0353 -2300.4795 921491.4634 66.0353 -2300.4795
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ENERGY: 408 19735.8472 19387.6641 5692.2151 187.5226 -335902.8215 23017.8176 0.0000 0.0000 45394.4117 -222487.3432 165.1324 -267881.7549 -222063.5311 165.1324 -920.8282 -2294.1555 921491.4634 -920.8282 -2294.1555
ENERGY: 409 20350.1189 19376.4605 5688.4775 191.1593 -336896.6844 23057.9925 0.0000 0.0000 45733.6054 -222498.8703 166.3663 -268232.4757 -222051.6704 166.3663 -2367.4920 -2346.9324 921491.4634 -2367.4920 -2346.9324
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 19470.1800 5687.6649 194.4179 -337813.1843 23106.2032 0.0000 0.0000 45077.0712 -222427.1260 163.9780 -267504.1972 -222054.6427 163.9780 -3838.6211 -2402.0239 921491.4634 -3838.6211 -2402.0239
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ENERGY: 412 22535.8949 19878.8220 5694.3233 198.8206 -338356.4975 23146.2939 0.0000 0.0000 44499.5084 -222402.8344 161.8770 -266902.3428 -222068.4599 161.8770 -4717.2137 -2436.3027 921491.4634 -4717.2137 -2436.3027
ENERGY: 413 21130.1417 20138.5249 5699.9333 199.7191 -337872.5322 23125.1119 0.0000 0.0000 45113.2141 -222465.8870 164.1095 -267579.1011 -222055.3454 164.1095 -3850.6267 -2398.9548 921491.4634 -3850.6267 -2398.9548
ENERGY: 414 19987.3858 20381.5508 5705.1135 199.5118 -337122.7803 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 19745.2667 20572.1262 5708.7452 198.1487 -336456.1981 23071.1995 0.0000 0.0000 44733.2274 -222427.4845 162.7272 -267160.7119 -222049.0347 162.7272 -1174.6452 -2266.5615 921491.4634 -1174.6452 -2266.5615
ENERGY: 416 19942.3169 20661.9900 5710.0857 195.6953 -336157.5870 23063.1718 0.0000 0.0000 44200.2851 -222384.0421 160.7885 -266584.3272 -222052.9644 160.7885 -282.7614 -2224.6897 921491.4634 -282.7614 -2224.6897
ENERGY: 417 20031.3751 20631.3214 5709.0493 192.4696 -336373.1085 23072.1102 0.0000 0.0000 44338.4621 -222398.3209 161.2911 -266736.7829 -222044.6993 161.2911 -112.4554 -2227.1699 921491.4634 -112.4554 -2227.1699
ENERGY: 418 20154.6651 20457.0914 5705.5847 188.6536 -336970.7878 23098.6729 0.0000 0.0000 44915.1423 -222450.9778 163.3889 -267366.1201 -222046.7092 163.3889 -671.8547 -2269.9921 921491.4634 -671.8547 -2269.9921
ENERGY: 419 20790.7633 20185.5528 5700.4810 184.6054 -337717.8766 23139.8026 0.0000 0.0000 45250.3102 -222466.3612 164.6082 -267716.6714 -222049.5949 164.6082 -1783.9422 -2336.6464 921491.4634 -1783.9422 -2336.6464
TIMING: 420 CPU: 197.891, 0.458381/step Wall: 197.891, 0.458381/step, 0.0101862 hours remaining, 3224.144531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 423 21418.8986 19324.4273 5689.6736 172.2145 -337416.8961 23180.6042 0.0000 0.0000 45183.9715 -222447.1064 164.3669 -267631.0779 -222051.5233 164.3669 -3955.8305 -2434.9305 921491.4634 -3955.8305 -2434.9305
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ENERGY: 425 19942.3360 19314.5606 5697.3262 169.6877 -335607.5207 23103.7923 0.0000 0.0000 44956.0485 -222423.7694 163.5377 -267379.8179 -222050.7959 163.5377 -1980.9650 -2297.0087 921491.4634 -1980.9650 -2297.0087
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ENERGY: 427 19598.5318 19595.2895 5707.1504 168.7509 -335498.4322 23074.5010 0.0000 0.0000 44915.2781 -222438.9306 163.3894 -267354.2087 -222048.7334 163.3894 -741.9007 -2207.6352 921491.4634 -741.9007 -2207.6352
ENERGY: 428 20140.4232 19760.4167 5710.4628 168.5259 -336199.9862 23087.7680 0.0000 0.0000 44884.2599 -222448.1298 163.2766 -267332.3896 -222058.0550 163.2766 -935.5733 -2206.9584 921491.4634 -935.5733 -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 22013.9873 20024.3735 5712.1699 168.1897 -338096.9214 23149.4497 0.0000 0.0000 44626.3105 -222402.4407 162.3383 -267028.7513 -222047.3916 162.3383 -2472.2456 -2268.0464 921491.4634 -2472.2456 -2268.0464
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ENERGY: 432 21768.3704 20188.6724 5710.3546 168.1086 -338651.2110 23176.0850 0.0000 0.0000 45177.9914 -222461.6286 164.3451 -267639.6200 -222065.9059 164.3451 -3350.2740 -2296.1497 921491.4634 -3350.2740 -2296.1497
ENERGY: 433 21200.9073 20275.9665 5710.3763 168.4633 -338164.0646 23162.2915 0.0000 0.0000 45192.9286 -222453.1312 164.3995 -267646.0598 -222052.5983 164.3995 -3187.3731 -2272.1276 921491.4634 -3187.3731 -2272.1276
ENERGY: 434 20730.3413 20338.1502 5711.6060 169.3247 -337394.2714 23140.7740 0.0000 0.0000 44883.0999 -222420.9752 163.2724 -267304.0751 -222051.1463 163.2724 -2694.3106 -2227.7884 921491.4634 -2694.3106 -2227.7884
ENERGY: 435 20235.2200 20362.4019 5714.0002 170.8455 -336680.6565 23123.4102 0.0000 0.0000 44675.9841 -222398.7945 162.5190 -267074.7786 -222049.5889 162.5190 -2061.3581 -2179.8950 921491.4634 -2061.3581 -2179.8950
ENERGY: 436 19670.9242 20349.9986 5717.2345 173.0864 -336303.8827 23119.9083 0.0000 0.0000 44847.0986 -222425.6321 163.1414 -267272.7307 -222059.6963 163.1414 -1520.6599 -2145.1618 921491.4634 -1520.6599 -2145.1618
ENERGY: 437 19434.5517 20329.5097 5720.9893 175.9827 -336411.9800 23136.3874 0.0000 0.0000 45159.2689 -222455.2904 164.2770 -267614.5593 -222050.7506 164.2770 -1319.1171 -2134.4849 921491.4634 -1319.1171 -2134.4849
ENERGY: 438 19935.1534 20278.6100 5724.6883 179.3849 -336899.4593 23173.5525 0.0000 0.0000 45148.1325 -222459.9377 164.2365 -267608.0702 -222051.5672 164.2365 -1493.0944 -2145.0882 921491.4634 -1493.0944 -2145.0882
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TIMING: 440 CPU: 207.053, 0.458125/step Wall: 207.053, 0.458125/step, 0.00763541 hours remaining, 3224.144531 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 20036.2374 5729.7526 186.7202 -338123.1818 23276.2493 0.0000 0.0000 44417.5462 -222405.1079 161.5788 -266822.6541 -222059.4773 161.5788 -2408.4611 -2197.9669 921491.4634 -2408.4611 -2197.9669
ENERGY: 441 22355.5485 19860.0411 5730.3487 190.1146 -338361.1725 23313.2052 0.0000 0.0000 44502.6966 -222409.2179 161.8886 -266911.9145 -222050.0860 161.8886 -2716.1025 -2221.5311 921491.4634 -2716.1025 -2221.5311
ENERGY: 442 21853.6117 19664.5350 5729.4854 192.9412 -338090.1541 23327.1575 0.0000 0.0000 44880.6321 -222441.7913 163.2634 -267322.4234 -222049.7755 163.2634 -2710.5572 -2229.0694 921491.4634 -2710.5572 -2229.0694
ENERGY: 443 21064.3316 19487.0722 5727.6164 194.9329 -337369.3157 23320.0165 0.0000 0.0000 45118.1106 -222457.2354 164.1273 -267575.3460 -222048.5995 164.1273 -2448.1644 -2220.3528 921491.4634 -2448.1644 -2220.3528
ENERGY: 444 20449.3364 19357.2688 5725.4095 195.8735 -336464.1927 23301.5284 0.0000 0.0000 44987.7177 -222447.0587 163.6530 -267434.7763 -222057.9796 163.6530 -2090.2095 -2206.4397 921491.4634 -2090.2095 -2206.4397
ENERGY: 445 20125.5608 19307.2514 5723.6512 195.6942 -335759.3920 23283.8147 0.0000 0.0000 44708.7156 -222414.7040 162.6380 -267123.4196 -222046.5427 162.6380 -1846.9623 -2201.6923 921491.4634 -1846.9623 -2201.6923
ENERGY: 446 19947.6806 19324.9001 5722.5429 194.3235 -335494.5715 23276.0459 0.0000 0.0000 44620.2947 -222408.7838 162.3164 -267029.0784 -222046.1619 162.3164 -1800.7516 -2216.7291 921491.4634 -1800.7516 -2216.7291
ENERGY: 447 19914.2851 19416.0205 5722.2106 191.8642 -335769.4408 23282.7467 0.0000 0.0000 44816.5089 -222425.8049 163.0301 -267242.3137 -222046.8341 163.0301 -1993.3111 -2253.0600 921491.4634 -1993.3111 -2253.0600
ENERGY: 448 20187.5926 19583.6795 5722.5764 188.5554 -336503.1809 23303.8913 0.0000 0.0000 45065.6674 -222451.2183 163.9365 -267516.8857 -222059.3478 163.9365 -2372.1877 -2303.7895 921491.4634 -2372.1877 -2303.7895
ENERGY: 449 20877.4063 19832.6982 5723.5712 184.8596 -337500.9081 23334.5932 0.0000 0.0000 45101.1678 -222446.6117 164.0657 -267547.7795 -222047.7097 164.0657 -2827.1080 -2356.1404 921491.4634 -2827.1080 -2356.1404
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 -338419.3258 23364.6252 0.0000 0.0000 44854.3097 -222432.2084 163.1677 -267286.5181 -222048.7858 163.1677 -3116.6754 -2394.3893 921491.4634 -3116.6754 -2394.3893
ENERGY: 451 22355.5902 20357.7255 5724.7144 177.6517 -338952.0917 23381.8016 0.0000 0.0000 44542.6986 -222411.9098 162.0341 -266954.6084 -222048.8243 162.0341 -3074.2529 -2405.7794 921491.4634 -3074.2529 -2405.7794
ENERGY: 452 22246.2013 20536.0136 5723.8953 174.8859 -338927.1549 23378.0952 0.0000 0.0000 44452.9194 -222415.1441 161.7075 -266868.0635 -222059.6372 161.7075 -2659.9603 -2384.7567 921491.4634 -2659.9603 -2384.7567
ENERGY: 453 21399.8724 20641.1314 5722.2878 173.1350 -338392.7945 23354.5916 0.0000 0.0000 44683.7031 -222418.0731 162.5470 -267101.7762 -222043.5373 162.5470 -2048.3335 -2342.4667 921491.4634 -2048.3335 -2342.4667
ENERGY: 454 20248.3379 20654.1378 5720.2217 172.3637 -337567.1426 23320.6910 0.0000 0.0000 45008.1463 -222443.2443 163.7273 -267451.3906 -222041.8392 163.7273 -1453.4576 -2293.1450 921491.4634 -1453.4576 -2293.1450
ENERGY: 455 19486.7905 20584.7125 5718.4844 172.5169 -336790.6465 23290.4031 0.0000 0.0000 45086.5786 -222451.1604 164.0126 -267537.7391 -222040.8571 164.0126 -1151.8822 -2255.8571 921491.4634 -1151.8822 -2255.8571
ENERGY: 456 19493.3722 20440.6805 5717.7556 173.4248 -336350.1085 23274.9639 0.0000 0.0000 44811.4723 -222438.4392 163.0118 -267249.9115 -222055.3483 163.0118 -1305.5001 -2245.5820 921491.4634 -1305.5001 -2245.5820
ENERGY: 457 20047.4931 20251.9438 5718.5580 174.9241 -336395.8175 23277.8282 0.0000 0.0000 44521.8702 -222403.1999 161.9583 -266925.0702 -222049.4129 161.9583 -1906.4164 -2263.5010 921491.4634 -1906.4164 -2263.5010
ENERGY: 458 20585.8438 20019.2725 5720.7061 176.6081 -336835.0968 23294.7180 0.0000 0.0000 44632.7887 -222405.1596 162.3618 -267037.9483 -222051.2819 162.3618 -2684.6987 -2301.0424 921491.4634 -2684.6987 -2301.0424
ENERGY: 459 20903.4948 19784.9691 5724.0022 178.1985 -337468.1650 23318.6990 0.0000 0.0000 45113.9367 -222444.8649 164.1121 -267558.8016 -222053.1408 164.1121 -3350.5832 -2341.5794 921491.4634 -3350.5832 -2341.5794
TIMING: 460 CPU: 216.205, 0.457577/step Wall: 216.205, 0.457577/step, 0.00508419 hours remaining, 3224.144531 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 19597.9063 5728.0972 179.4910 -338014.3773 23341.8007 0.0000 0.0000 45423.8566 -222480.6116 165.2395 -267904.4681 -222064.6835 165.2395 -3669.8203 -2365.2411 921491.4634 -3669.8203 -2365.2411
ENERGY: 461 21862.8762 19507.1074 5732.5753 180.4333 -338251.6218 23355.3941 0.0000 0.0000 45154.6137 -222458.6219 164.2601 -267613.2356 -222058.0506 164.2601 -3556.1666 -2361.1798 921491.4634 -3556.1666 -2361.1798
ENERGY: 462 22264.2254 19487.8107 5736.4823 180.9531 -337988.7170 23351.1091 0.0000 0.0000 44559.9291 -222408.2074 162.0968 -266968.1364 -222056.7213 162.0968 -2954.8198 -2323.4250 921491.4634 -2954.8198 -2323.4250
ENERGY: 463 21821.1789 19513.9012 5738.9361 181.1160 -337284.1027 23326.9481 0.0000 0.0000 44313.4571 -222388.5652 161.2002 -266702.0223 -222054.6241 161.2002 -2012.4421 -2264.0777 921491.4634 -2012.4421 -2264.0777
ENERGY: 464 20535.2457 19559.9268 5739.2518 181.0096 -336389.3837 23291.1945 0.0000 0.0000 44654.0269 -222428.7283 162.4391 -267082.7552 -222058.5727 162.4391 -1050.9223 -2205.5267 921491.4634 -1050.9223 -2205.5267
ENERGY: 465 19322.7825 19631.8850 5737.2899 180.7155 -335701.1533 23259.7395 0.0000 0.0000 45094.5692 -222474.1718 164.0416 -267568.7410 -222052.9386 164.0416 -512.3343 -2174.4007 921491.4634 -512.3343 -2174.4007
ENERGY: 466 19088.4510 19708.3578 5733.2107 180.2808 -335443.7728 23245.0607 0.0000 0.0000 45020.7913 -222467.6204 163.7733 -267488.4118 -222052.9783 163.7733 -630.3312 -2182.6709 921491.4634 -630.3312 -2182.6709
ENERGY: 467 19841.8072 19783.1740 5727.6704 179.7757 -335721.0957 23249.4533 0.0000 0.0000 44523.6671 -222415.5480 161.9649 -266939.2151 -222054.3493 161.9649 -1393.6029 -2232.5923 921491.4634 -1393.6029 -2232.5923
ENERGY: 468 20761.8485 19845.4942 5721.5089 179.2779 -336451.5679 23265.8128 0.0000 0.0000 44291.6591 -222385.9664 161.1209 -266677.6255 -222056.3592 161.1209 -2508.6717 -2314.1341 921491.4634 -2508.6717 -2314.1341
ENERGY: 469 21236.3019 19910.2023 5715.6824 178.8504 -337458.3217 23284.3964 0.0000 0.0000 44720.3209 -222412.5674 162.6802 -267132.8883 -222046.0751 162.6802 -3596.7410 -2405.7973 921491.4634 -3596.7410 -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 21411.1733 19972.8937 5710.9491 178.5947 -338383.2523 23297.0675 0.0000 0.0000 45346.4581 -222466.1158 164.9580 -267812.5739 -222047.6090 164.9580 -4259.6999 -2477.6832 921491.4634 -4259.6999 -2477.6832
ENERGY: 471 21732.8679 20054.6840 5707.9626 178.5890 -338913.2468 23297.5088 0.0000 0.0000 45471.3373 -222470.2972 165.4122 -267941.6345 -222047.5361 165.4122 -4290.5686 -2504.3177 921491.4634 -4290.5686 -2504.3177
ENERGY: 472 22081.2362 20161.5557 5707.0091 178.9047 -338870.6780 23279.4494 0.0000 0.0000 45028.5302 -222433.9928 163.8014 -267462.5229 -222059.5056 163.8014 -3659.7360 -2479.9183 921491.4634 -3659.7360 -2479.9183
ENERGY: 473 21866.1362 20289.3431 5707.9842 179.6165 -338307.7203 23240.7367 0.0000 0.0000 44634.5178 -222389.3857 162.3681 -267023.9036 -222043.8538 162.3681 -2556.3613 -2408.1657 921491.4634 -2556.3613 -2408.1657
ENERGY: 474 20842.9703 20372.0990 5710.2160 180.7467 -337438.4563 23189.2352 0.0000 0.0000 44733.2312 -222409.9580 162.7272 -267143.1892 -222041.2618 162.7272 -1295.5521 -2316.2727 921491.4634 -1295.5521 -2316.2727
ENERGY: 475 19674.2079 20371.7677 5712.9876 182.2512 -336604.2324 23142.3822 0.0000 0.0000 45070.2144 -222450.4215 163.9531 -267520.6358 -222039.4528 163.9531 -344.6445 -2232.2124 921491.4634 -344.6445 -2232.2124
ENERGY: 476 19235.7862 20282.0276 5715.7683 184.0125 -336100.0916 23115.8471 0.0000 0.0000 45106.0637 -222460.5861 164.0835 -267566.6498 -222053.6138 164.0835 -92.4048 -2183.0653 921491.4634 -92.4048 -2183.0653
ENERGY: 477 19704.7252 20145.9814 5718.4976 185.9230 -336101.8802 23114.2945 0.0000 0.0000 44812.3211 -222420.1374 163.0149 -267232.4585 -222044.8411 163.0149 -667.4946 -2171.8228 921491.4634 -667.4946 -2171.8228
ENERGY: 478 20493.4780 19974.7638 5721.0253 187.7262 -336537.4048 23131.2466 0.0000 0.0000 44627.0334 -222402.1314 162.3409 -267029.1648 -222047.4106 162.3409 -1807.1606 -2198.7956 921491.4634 -1807.1606 -2198.7956
ENERGY: 479 21125.3062 19793.3955 5723.3294 189.2099 -337215.5848 23156.6778 0.0000 0.0000 44802.1577 -222425.5082 162.9779 -267227.6660 -222050.5460 162.9779 -3089.8518 -2246.7917 921491.4634 -3089.8518 -2246.7917
TIMING: 480 CPU: 225.346, 0.457066/step Wall: 225.346, 0.457066/step, 0.00253926 hours remaining, 3224.144531 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 21624.0330 19623.1962 5725.3110 190.1901 -337854.6791 23181.5125 0.0000 0.0000 45051.6813 -222458.7550 163.8856 -267510.4363 -222064.6209 163.8856 -4077.7327 -2291.4891 921491.4634 -4077.7327 -2291.4891
ENERGY: 481 22092.4855 19510.0430 5727.0952 190.6351 -338199.2483 23196.7966 0.0000 0.0000 45041.3366 -222440.8562 163.8480 -267482.1929 -222052.5265 163.8480 -4466.2394 -2305.6732 921491.4634 -4466.2394 -2305.6732
ENERGY: 482 22186.3468 19466.6790 5728.4963 190.3598 -338044.5418 23192.7482 0.0000 0.0000 44865.8518 -222414.0600 163.2096 -267279.9117 -222051.4112 163.2096 -4059.3097 -2278.0614 921491.4634 -4059.3097 -2278.0614
ENERGY: 483 21553.1412 19511.5741 5729.5660 189.3227 -337426.2183 23165.8748 0.0000 0.0000 44861.8967 -222414.8429 163.1953 -267276.7396 -222048.7672 163.1953 -2964.1720 -2216.4115 921491.4634 -2964.1720 -2216.4115
ENERGY: 484 20460.8925 19631.1935 5730.2464 187.5455 -336590.8883 23126.1359 0.0000 0.0000 45003.6029 -222451.2716 163.7107 -267454.8746 -222059.8741 163.7107 -1565.2422 -2143.1849 921491.4634 -1565.2422 -2143.1849
ENERGY: 485 19688.7720 19800.2987 5730.5255 185.2458 -335902.5865 23092.8477 0.0000 0.0000 44955.5723 -222449.3244 163.5360 -267404.8968 -222045.9604 163.5360 -422.1567 -2086.8735 921491.4634 -422.1567 -2086.8735
ENERGY: 486 19602.5427 19954.8173 5729.7197 182.4662 -335612.3569 23080.3814 0.0000 0.0000 44645.9115 -222416.5180 162.4096 -267062.4295 -222044.6759 162.4096 87.3182 -2070.0982 921491.4634 87.3182 -2070.0982
ENERGY: 487 19881.0927 20072.0211 5727.4347 179.4360 -335846.4486 23091.0551 0.0000 0.0000 44503.3492 -222392.0598 161.8910 -266895.4090 -222045.2405 161.8910 -192.2347 -2106.8840 921491.4634 -192.2347 -2106.8840
ENERGY: 488 20125.2101 20156.1362 5723.5440 176.4338 -336552.5460 23118.8623 0.0000 0.0000 44827.0556 -222425.3040 163.0685 -267252.3596 -222057.1937 163.0685 -1145.7536 -2194.6680 921491.4634 -1145.7536 -2194.6680
ENERGY: 489 20526.8875 20236.4611 5718.5748 173.8639 -337540.4666 23156.7316 0.0000 0.0000 45266.1004 -222461.8472 164.6656 -267727.9476 -222045.6084 164.6656 -2511.2407 -2316.7067 921491.4634 -2511.2407 -2316.7067
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7493 20292.9026 5712.8912 171.8438 -338458.1372 23196.4883 0.0000 0.0000 45213.5629 -222459.6992 164.4745 -267673.2621 -222048.2207 164.4745 -3823.4042 -2437.4156 921491.4634 -3823.4042 -2437.4156
ENERGY: 491 22430.4642 20312.1366 5707.3794 170.5404 -338984.5804 23226.0942 0.0000 0.0000 44733.0089 -222404.9567 162.7264 -267137.9656 -222049.4637 162.7264 -4629.6937 -2524.6216 921491.4634 -4629.6937 -2524.6216
ENERGY: 492 22612.9547 20289.6816 5702.9944 170.0208 -338937.5823 23232.7209 0.0000 0.0000 44542.1951 -222387.0148 162.0323 -266929.2099 -222060.3858 162.0323 -4606.8524 -2557.4730 921491.4634 -4606.8524 -2557.4730
ENERGY: 493 21558.2185 20260.7380 5700.7779 170.3201 -338358.0638 23214.0540 0.0000 0.0000 45033.8231 -222420.1324 163.8207 -267453.9554 -222046.5898 163.8207 -3796.3817 -2540.0996 921491.4634 -3796.3817 -2540.0996
ENERGY: 494 20068.3363 20225.0266 5700.9805 171.2193 -337454.3838 23183.0798 0.0000 0.0000 45622.2476 -222483.4937 165.9612 -268105.7413 -222044.0865 165.9612 -2500.8990 -2482.1068 921491.4634 -2500.8990 -2482.1068
ENERGY: 495 19383.2460 20186.8305 5703.5926 172.5416 -336566.9887 23159.4627 0.0000 0.0000 45484.1231 -222477.1923 165.4587 -267961.3154 -222041.5561 165.4587 -1249.6835 -2407.3056 921491.4634 -1249.6835 -2407.3056
ENERGY: 496 19722.4832 20130.6475 5708.0350 174.0934 -335998.7155 23154.2637 0.0000 0.0000 44699.5270 -222409.6656 162.6046 -267109.1927 -222049.0667 162.6046 -478.8995 -2343.4750 921491.4634 -478.8995 -2343.4750
ENERGY: 497 20212.6668 20059.9178 5713.4613 175.7242 -335952.5041 23166.3546 0.0000 0.0000 44261.0288 -222363.3507 161.0095 -266624.3795 -222042.7497 161.0095 -421.0231 -2316.7927 921491.4634 -421.0231 -2316.7927
ENERGY: 498 20182.0167 19957.1215 5718.5596 177.2604 -336366.4932 23189.3585 0.0000 0.0000 44728.2534 -222413.9230 162.7091 -267142.1764 -222044.5216 162.7091 -993.4680 -2331.6472 921491.4634 -993.4680 -2331.6472
ENERGY: 499 20158.0683 19847.7306 5722.4089 178.6361 -337058.4822 23219.2404 0.0000 0.0000 45439.2643 -222493.1336 165.2956 -267932.3979 -222047.2059 165.2956 -2020.8689 -2376.3390 921491.4634 -2020.8689 -2376.3390
Info: Benchmark time: 4 CPUs 0.456891 s/step 5.28808 days/ns 3224.14 MB memory
TIMING: 500 CPU: 234.412, 0.453311/step Wall: 234.412, 0.453311/step, 0 hours remaining, 3224.144531 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 20974.8941 19756.6579 5724.4523 179.8271 -337741.4190 23251.1007 0.0000 0.0000 45359.0778 -222495.4090 165.0039 -267854.4868 -222061.0908 165.0039 -3197.5171 -2425.4142 921491.4634 -3197.5171 -2425.4142
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, 3229.082 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.082 MB of memory in use
====================================================
WallClock: 241.481094 CPUTime: 241.481094 Memory: 3229.082031 MB
[Partition 0][Node 0] End of program
Application 109768515 resources: utime ~949s, stime ~19s, Rss ~126708, inblocks ~67011, outblocks ~72238
Displaying status file:
verified
WALL=241.481094
CPU=241.481094
MEM=3229.082031
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins17232979246101078159.sh
+ rm -rf /var/lib/jenkins/jobs/NAMD-BW/workspace/cputime /var/lib/jenkins/jobs/NAMD-BW/workspace/memory /var/lib/jenkins/jobs/NAMD-BW/workspace/namd /var/lib/jenkins/jobs/NAMD-BW/workspace/wallclock
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-BW/workspace
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-BW/workspace
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-BW/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/memory
Finished: SUCCESS
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