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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: 90 22711.6047 19691.0677 5699.8921 181.1111 -335712.1132 22705.2746 0.0000 0.0000 42377.6758 -222345.4871 154.1583 -264723.1629 -222389.2093 154.1583 -2670.9832 -2080.5818 921491.4634 -2670.9832 -2080.5818
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LDB: ============= START OF LOAD BALANCING ============== 51.0628
LDB: Largest compute 200 load 0.429206 is 1.2% of average load 36.914759
LDB: Average compute 0.051737 is 0.1% of average load 36.914759
LDB: Partitioning computes with target load 3.691476
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055707
LDB: ============== END OF LOAD BALANCING =============== 51.065
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 51.0658
Info: Initial time: 4 CPUs 0.475218 s/step 5.50021 days/ns 3219.31 MB memory
TIMING: 100 CPU: 48.4899, 0.474222/step Wall: 48.4899, 0.474222/step, 0.0526913 hours remaining, 3219.308594 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 60.5331
LDB: ============== END OF LOAD BALANCING =============== 60.5332
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 60.5336
TIMING: 120 CPU: 57.9543, 0.473222/step Wall: 57.9543, 0.473222/step, 0.0499513 hours remaining, 3219.566406 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 21553.6086 18898.7761 5736.4508 185.0194 -334776.0135 21118.0423 0.0000 0.0000 44811.1497 -222472.9667 163.0106 -267284.1164 -222216.5364 163.0106 -5536.0555 -2842.3154 921491.4634 -5536.0555 -2842.3154
ENERGY: 131 21530.9955 19804.6627 5745.0872 187.0957 -335083.2641 21105.7069 0.0000 0.0000 44221.5102 -222488.2059 160.8657 -266709.7161 -222215.1804 160.8657 -5164.7863 -2872.9597 921491.4634 -5164.7863 -2872.9597
ENERGY: 132 21696.5184 20951.9796 5753.4447 189.2233 -334841.7367 21081.3851 0.0000 0.0000 42732.1265 -222437.0591 155.4477 -265169.1856 -222222.8147 155.4477 -4015.6410 -2856.5553 921491.4634 -4015.6410 -2856.5553
ENERGY: 133 21569.7011 21939.4304 5759.4053 191.1377 -334187.7138 21049.8506 0.0000 0.0000 41346.5714 -222331.6173 150.4075 -263678.1887 -222209.0243 150.4075 -2436.6193 -2806.2333 921491.4634 -2436.6193 -2806.2333
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ENERGY: 136 18381.4539 21453.0791 5750.0867 193.4037 -332655.7485 21006.3295 0.0000 0.0000 43348.3540 -222523.0417 157.6894 -265871.3956 -222211.0692 157.6894 198.1852 -2776.3542 921491.4634 198.1852 -2776.3542
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ENERGY: 138 21874.8524 19195.4802 5730.8549 192.8766 -333203.4341 21083.5324 0.0000 0.0000 42784.9638 -222340.8737 155.6399 -265125.8376 -222213.1814 155.6399 -2704.7054 -2927.3524 921491.4634 -2704.7054 -2927.3524
ENERGY: 139 22116.0294 18330.1125 5724.2506 192.4679 -333575.3360 21115.6333 0.0000 0.0000 43705.6789 -222391.1634 158.9892 -266096.8423 -222217.3487 158.9892 -4443.4106 -3015.1527 921491.4634 -4443.4106 -3015.1527
TIMING: 140 CPU: 67.4132, 0.472945/step Wall: 67.4132, 0.472945/step, 0.0472945 hours remaining, 3219.710938 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 140 20992.5975 17997.1578 5722.1741 192.2140 -333726.9443 21127.4061 0.0000 0.0000 45144.2514 -222551.1434 164.2224 -267695.3948 -222224.0363 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 21015.8991 19956.3834 5767.3089 192.0924 -334899.3754 20845.5771 0.0000 0.0000 44606.5897 -222515.5248 162.2665 -267122.1145 -222153.2669 162.2665 -4472.9373 -2881.9211 921491.4634 -4472.9373 -2881.9211
ENERGY: 151 20656.1099 20586.9275 5763.7530 189.5631 -335303.4338 20835.7247 0.0000 0.0000 44710.6378 -222560.7179 162.6450 -267271.3556 -222155.1382 162.6450 -5407.8406 -2907.6330 921491.4634 -5407.8406 -2907.6330
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TIMING: 160 CPU: 76.8565, 0.472161/step Wall: 76.8565, 0.472161/step, 0.044593 hours remaining, 3220.046875 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 178 21917.7898 18733.9560 5737.6245 154.5770 -332975.2975 21015.2133 0.0000 0.0000 43101.1545 -222314.9825 156.7902 -265416.1369 -222126.1322 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
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TIMING: 180 CPU: 86.2917, 0.471763/step Wall: 86.2917, 0.471763/step, 0.0419345 hours remaining, 3220.046875 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: 186 19266.0405 19234.9571 5686.4352 181.9571 -332240.0940 21043.7459 0.0000 0.0000 44391.5886 -222435.3694 161.4844 -266826.9580 -222129.2891 161.4844 -2596.4733 -2731.4264 921491.4634 -2596.4733 -2731.4264
ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1128 21076.9265 0.0000 0.0000 42449.0055 -222222.0804 154.4178 -264671.0859 -222130.9083 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -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: 197 21700.3669 19122.7581 5714.1451 184.7200 -332668.2732 21129.4587 0.0000 0.0000 42574.3654 -222242.4589 154.8738 -264816.8243 -222086.7182 154.8738 -3040.7437 -2596.5495 921491.4634 -3040.7437 -2596.5495
ENERGY: 198 21224.0059 18800.3007 5711.3574 186.3640 -333385.4999 21161.1533 0.0000 0.0000 43911.2863 -222391.0323 159.7372 -266302.3186 -222090.4394 159.7372 -4381.6808 -2646.7680 921491.4634 -4381.6808 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 98.3047
LDB: Largest compute 200 load 0.423788 is 1.2% of average load 36.732698
LDB: Average compute 0.051480 is 0.1% of average load 36.732698
LDB: TIME 98.3067 LOAD: AVG 36.7327 MAX 37.771 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3220.43 MB
LDB: TIME 98.3087 LOAD: AVG 36.7327 MAX 37.5929 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3220.43 MB
LDB: ============== END OF LOAD BALANCING =============== 98.3106
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 98.3138
Info: Initial time: 4 CPUs 0.472362 s/step 5.46715 days/ns 3221.56 MB memory
TIMING: 200 CPU: 95.7359, 0.472211/step Wall: 95.7359, 0.472211/step, 0.0393509 hours remaining, 3221.558594 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: 200 21073.6836 18595.6351 5711.8747 190.0258 -334670.2812 21209.9247 0.0000 0.0000 45319.1601 -222569.9773 164.8586 -267889.1373 -222114.5246 164.8586 -5241.8525 -2703.6813 921491.4634 -5241.8525 -2703.6813
ENERGY: 201 23380.1029 18674.3334 5716.2802 191.4189 -334751.7132 21239.1340 0.0000 0.0000 43222.4695 -222327.9743 157.2315 -265550.4438 -222100.1079 157.2315 -4546.2004 -2661.1901 921491.4634 -4546.2004 -2661.1901
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ENERGY: 203 20743.8946 19130.0391 5729.2400 192.0764 -333501.9374 21215.8253 0.0000 0.0000 44059.6986 -222431.1635 160.2771 -266490.8621 -222093.6428 160.2771 -1046.8259 -2512.4435 921491.4634 -1046.8259 -2512.4435
ENERGY: 204 17862.6125 19486.9557 5734.1463 191.2124 -332722.2201 21188.8402 0.0000 0.0000 45629.4719 -222628.9812 165.9875 -268258.4530 -222116.7004 165.9875 452.9931 -2462.2930 921491.4634 452.9931 -2462.2930
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ENERGY: 207 21693.8031 20338.2889 5726.5434 185.3060 -333603.9790 21289.9000 0.0000 0.0000 42143.6913 -222226.4461 153.3072 -264370.1375 -222103.0934 153.3072 -1896.3478 -2585.9683 921491.4634 -1896.3478 -2585.9683
ENERGY: 208 20293.2701 20371.8902 5718.1572 182.8654 -334789.2376 21322.2409 0.0000 0.0000 44428.6270 -222472.1868 161.6191 -266900.8138 -222122.6317 161.6191 -3669.0642 -2719.7953 921491.4634 -3669.0642 -2719.7953
ENERGY: 209 19428.8169 20325.0057 5710.3389 180.5135 -335910.2411 21349.5043 0.0000 0.0000 46273.6801 -222642.3817 168.3309 -268916.0618 -222106.7903 168.3309 -5197.7273 -2836.6307 921491.4634 -5197.7273 -2836.6307
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1733 20194.2567 5705.3139 178.4614 -336615.7766 21385.1095 0.0000 0.0000 45251.4334 -222516.0284 164.6123 -267767.4618 -222108.2018 164.6123 -6091.3662 -2896.2628 921491.4634 -6091.3662 -2896.2628
ENERGY: 211 24099.1927 19985.8630 5704.9373 176.9105 -336667.8926 21415.1476 0.0000 0.0000 43031.7285 -222254.1130 156.5376 -265285.8415 -222106.8543 156.5376 -5900.2978 -2885.1011 921491.4634 -5900.2978 -2885.1011
ENERGY: 212 23739.2709 19730.8221 5710.0295 176.0352 -336013.6225 21412.5982 0.0000 0.0000 42995.1637 -222249.7027 156.4046 -265244.8665 -222104.2320 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2161 19524.5248 5720.1722 175.9508 -334874.6442 21380.5551 0.0000 0.0000 45418.7805 -222504.4448 165.2210 -267923.2253 -222097.3836 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
ENERGY: 214 17315.5530 19421.7448 5733.3059 176.6827 -333645.3936 21358.4484 0.0000 0.0000 46958.4702 -222681.1886 170.8220 -269639.6588 -222093.7408 170.8220 -143.6687 -2626.0578 921491.4634 -143.6687 -2626.0578
ENERGY: 215 18210.5056 19441.9744 5746.5772 178.1492 -332787.3323 21379.5595 0.0000 0.0000 45302.6745 -222527.8918 164.7987 -267830.5663 -222091.0448 164.7987 784.0013 -2554.0368 921491.4634 784.0013 -2554.0368
ENERGY: 216 20973.4717 19522.5063 5756.9571 180.1770 -332560.1063 21436.4835 0.0000 0.0000 42442.1787 -222248.3320 154.3930 -264690.5107 -222073.6158 154.3930 420.9900 -2541.5429 921491.4634 420.9900 -2541.5429
ENERGY: 217 21778.3867 19581.4822 5762.2416 182.5517 -333010.6759 21497.2704 0.0000 0.0000 41983.6750 -222225.0685 152.7251 -264208.7434 -222064.4467 152.7251 -882.1700 -2598.7244 921491.4634 -882.1700 -2598.7244
ENERGY: 218 20165.9156 19540.0893 5761.2415 184.9927 -333856.1149 21546.6560 0.0000 0.0000 44178.6836 -222478.5363 160.7099 -266657.2198 -222068.8157 160.7099 -2628.0652 -2703.9747 921491.4634 -2628.0652 -2703.9747
ENERGY: 219 19429.8639 19413.3933 5754.3577 187.2447 -334778.0710 21596.8807 0.0000 0.0000 45751.9297 -222644.4009 166.4329 -268396.3307 -222073.1722 166.4329 -4457.7332 -2810.5238 921491.4634 -4457.7332 -2810.5238
TIMING: 220 CPU: 105.198, 0.473107/step Wall: 105.198, 0.473107/step, 0.0367972 hours remaining, 3221.558594 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: 220 21580.9143 19260.1138 5743.1672 189.1021 -335473.8431 21655.3183 0.0000 0.0000 44539.5739 -222505.6535 162.0227 -267045.2274 -222092.6289 162.0227 -5898.3511 -2876.6577 921491.4634 -5898.3511 -2876.6577
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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: 230 21999.2454 20926.2536 5717.1889 185.9786 -336838.6562 21834.6449 0.0000 0.0000 43751.0552 -222424.2894 159.1543 -266175.3447 -222088.6910 159.1543 -4902.3780 -2766.0558 921491.4634 -4902.3780 -2766.0558
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ENERGY: 233 20035.6405 19318.2043 5703.4910 182.6157 -334889.2830 21760.7375 0.0000 0.0000 45350.0988 -222538.4952 164.9712 -267888.5940 -222089.6821 164.9712 -3899.2117 -2646.7387 921491.4634 -3899.2117 -2646.7387
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ENERGY: 235 19419.0964 18603.4162 5705.8180 179.9133 -332789.1749 21702.6095 0.0000 0.0000 44750.4959 -222427.8257 162.7900 -267178.3215 -222083.1203 162.7900 -820.1737 -2429.4349 921491.4634 -820.1737 -2429.4349
ENERGY: 236 20566.0777 18629.1002 5714.2865 178.3391 -332585.8846 21721.5011 0.0000 0.0000 43477.4014 -222299.1787 158.1588 -265776.5800 -222073.0118 158.1588 -108.6482 -2371.7043 921491.4634 -108.6482 -2371.7043
ENERGY: 237 20196.0057 18940.2032 5726.8243 176.7459 -333068.3184 21749.0155 0.0000 0.0000 43898.3779 -222381.1459 159.6902 -266279.5238 -222063.3604 159.6902 -172.1587 -2373.2011 921491.4634 -172.1587 -2373.2011
ENERGY: 238 19419.4412 19404.0885 5740.6977 175.0128 -333964.3150 21778.9042 0.0000 0.0000 44901.2437 -222544.9269 163.3384 -267446.1706 -222065.9777 163.3384 -987.6012 -2425.5309 921491.4634 -987.6012 -2425.5309
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TIMING: 240 CPU: 114.652, 0.472675/step Wall: 114.652, 0.472675/step, 0.0341376 hours remaining, 3221.558594 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: 240 22861.0419 20119.9136 5760.6910 171.4213 -335766.3624 21854.4252 0.0000 0.0000 42641.4776 -222357.3919 155.1180 -264998.8695 -222074.0953 155.1180 -3844.9084 -2568.3896 921491.4634 -3844.9084 -2568.3896
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ENERGY: 242 22110.7717 20111.8210 5758.5348 169.0441 -335904.8194 21831.0567 0.0000 0.0000 43526.8718 -222396.7195 158.3388 -265923.5912 -222063.5735 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3621 19969.6446 5749.3614 168.8705 -335233.7066 21770.4747 0.0000 0.0000 45537.0688 -222575.9245 165.6513 -268112.9933 -222061.6673 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2464 19849.3934 5737.4544 169.6534 -334482.6007 21720.5675 0.0000 0.0000 45629.1661 -222554.1195 165.9864 -268183.2856 -222078.7771 165.9864 -2667.7299 -2573.2149 921491.4634 -2667.7299 -2573.2149
ENERGY: 245 20148.2367 19811.7598 5725.7785 171.4559 -334087.5944 21701.2470 0.0000 0.0000 44168.5247 -222360.5918 160.6730 -266529.1165 -222068.6366 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5480 19853.7023 5716.8932 174.1558 -334213.1202 21705.0850 0.0000 0.0000 43600.4181 -222284.3179 158.6063 -265884.7360 -222067.4296 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5286 19979.6438 5712.7400 177.5412 -334802.1839 21719.8454 0.0000 0.0000 44912.1910 -222431.6938 163.3782 -267343.8848 -222068.1395 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4924 20164.4294 5713.8450 181.3144 -335623.1348 21746.4310 0.0000 0.0000 46185.9361 -222595.6864 168.0117 -268781.6225 -222090.3126 168.0117 -1359.1246 -2608.3065 921491.4634 -1359.1246 -2608.3065
ENERGY: 249 20484.3303 20353.6192 5719.1623 185.0800 -336433.0062 21788.9033 0.0000 0.0000 45370.8152 -222531.0958 165.0466 -267901.9111 -222082.9710 165.0466 -2308.0285 -2671.2385 921491.4634 -2308.0285 -2671.2385
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 250 23155.2055 20422.5255 5726.1009 188.5682 -336907.4405 21832.9289 0.0000 0.0000 43252.1659 -222329.9456 157.3395 -265582.1116 -222084.2877 157.3395 -3365.2095 -2722.3879 921491.4634 -3365.2095 -2722.3879
ENERGY: 251 24002.1398 20302.5996 5731.6573 191.5295 -336816.8445 21849.8673 0.0000 0.0000 42475.2391 -222263.8120 154.5132 -264739.0511 -222084.8989 154.5132 -3958.0339 -2753.0723 921491.4634 -3958.0339 -2753.0723
ENERGY: 252 21994.9042 20013.1599 5733.2541 193.8023 -336093.2677 21826.9295 0.0000 0.0000 43905.3719 -222425.8457 159.7157 -266331.2176 -222091.3306 159.7157 -3843.4682 -2758.0338 921491.4634 -3843.4682 -2758.0338
ENERGY: 253 19499.8638 19667.1123 5729.5496 195.2411 -334977.1808 21784.0536 0.0000 0.0000 45520.0191 -222581.3413 165.5893 -268101.3604 -222082.7206 165.5893 -3300.1274 -2735.8132 921491.4634 -3300.1274 -2735.8132
ENERGY: 254 19073.0881 19348.2297 5720.5008 195.9622 -333839.8800 21752.6524 0.0000 0.0000 45220.9195 -222528.5273 164.5013 -267749.4468 -222080.4687 164.5013 -2707.1337 -2696.1701 921491.4634 -2707.1337 -2696.1701
ENERGY: 255 20324.2311 19109.4103 5707.6062 196.0620 -333099.9235 21746.1515 0.0000 0.0000 43667.4213 -222349.0411 158.8501 -266016.4624 -222078.3977 158.8501 -2282.5425 -2662.7814 921491.4634 -2282.5425 -2662.7814
ENERGY: 256 20899.4410 18950.9579 5693.4518 195.6570 -332975.5974 21757.6847 0.0000 0.0000 43181.1612 -222297.2438 157.0812 -265478.4050 -222071.2739 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5653 18878.1874 5681.1759 194.7976 -333481.0040 21780.2419 0.0000 0.0000 44488.5468 -222428.4891 161.8371 -266917.0359 -222060.1684 161.8371 -2035.5361 -2692.1442 921491.4634 -2035.5361 -2692.1442
ENERGY: 258 19453.5866 18882.0667 5673.2911 193.6684 -334373.1546 21817.5077 0.0000 0.0000 45796.2579 -222556.7762 166.5942 -268353.0341 -222062.0608 166.5942 -2331.2327 -2737.1920 921491.4634 -2331.2327 -2737.1920
ENERGY: 259 20717.7707 18984.1029 5671.3007 192.3773 -335369.5278 21871.0066 0.0000 0.0000 45431.1557 -222501.8139 165.2661 -267932.9696 -222063.7306 165.2661 -2890.3669 -2780.4961 921491.4634 -2890.3669 -2780.4961
TIMING: 260 CPU: 124.096, 0.472199/step Wall: 124.096, 0.472199/step, 0.0314799 hours remaining, 3221.867188 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: 260 22744.9541 19188.2463 5675.1876 191.0393 -336169.7730 21924.7893 0.0000 0.0000 44083.4307 -222362.1257 160.3634 -266445.5565 -222069.6813 160.3634 -3407.4792 -2810.9878 921491.4634 -3407.4792 -2810.9878
ENERGY: 261 23215.5573 19485.4656 5683.6413 189.7700 -336523.9801 21953.3902 0.0000 0.0000 43676.0234 -222320.1324 158.8814 -265996.1558 -222052.8237 158.8814 -3555.3695 -2822.8648 921491.4634 -3555.3695 -2822.8648
ENERGY: 262 21606.2726 19814.6778 5694.0656 188.7122 -336291.7861 21947.6073 0.0000 0.0000 44601.6345 -222438.8161 162.2485 -267040.4506 -222052.4324 162.2485 -3214.7561 -2810.4637 921491.4634 -3214.7561 -2810.4637
ENERGY: 263 19781.1229 20140.5622 5703.8103 187.9445 -335614.9714 21924.4739 0.0000 0.0000 45349.7770 -222527.2805 164.9700 -267877.0575 -222051.1548 164.9700 -2647.8116 -2773.3903 921491.4634 -2647.8116 -2773.3903
ENERGY: 264 19385.2260 20436.4305 5710.6950 187.5052 -334855.9511 21907.7772 0.0000 0.0000 44751.4784 -222476.8388 162.7936 -267228.3172 -222069.1983 162.7936 -2191.1927 -2723.5293 921491.4634 -2191.1927 -2723.5293
ENERGY: 265 19946.8414 20681.9925 5713.6242 187.4392 -334395.6631 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 20048.7898 20788.8699 5712.1327 187.6137 -334399.4574 21914.4804 0.0000 0.0000 43399.3796 -222348.1912 157.8750 -265747.5708 -222054.3634 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0905 20691.2677 5707.0583 187.8501 -334831.4852 21930.8373 0.0000 0.0000 44220.2167 -222446.1646 160.8610 -266666.3813 -222055.6584 160.8610 -2435.4233 -2662.6783 921491.4634 -2435.4233 -2662.6783
ENERGY: 268 19962.9159 20375.7514 5700.1930 187.9286 -335513.7445 21959.1256 0.0000 0.0000 44823.5376 -222504.2924 163.0557 -267327.8300 -222075.9874 163.0557 -2903.2123 -2658.6180 921491.4634 -2903.2123 -2658.6180
ENERGY: 269 21396.7810 19927.1701 5694.0390 187.7639 -336221.0657 21997.2160 0.0000 0.0000 44586.5099 -222431.5857 162.1935 -267018.0957 -222066.1972 162.1935 -3401.4127 -2647.2949 921491.4634 -3401.4127 -2647.2949
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 19450.9167 5690.3173 187.1618 -336650.6770 22028.8070 0.0000 0.0000 44308.0075 -222365.2737 161.1804 -266673.2812 -222067.0433 161.1804 -3583.3632 -2617.7582 921491.4634 -3583.3632 -2617.7582
ENERGY: 271 22345.5823 19078.8065 5690.0209 186.1610 -336571.7889 22035.2500 0.0000 0.0000 44829.4470 -222406.5211 163.0772 -267235.9681 -222066.8385 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5586 18896.0662 5692.8269 184.9335 -335921.4612 22015.0579 0.0000 0.0000 45607.7073 -222503.3109 165.9083 -268111.0182 -222081.1571 165.9083 -2551.9685 -2501.8804 921491.4634 -2551.9685 -2501.8804
ENERGY: 273 20123.2137 18932.9081 5697.5118 183.8526 -334925.7011 21985.5295 0.0000 0.0000 45502.7158 -222499.9695 165.5264 -268002.6853 -222069.0458 165.5264 -1837.1976 -2434.6760 921491.4634 -1837.1976 -2434.6760
ENERGY: 274 20074.7416 19121.4863 5701.6806 183.0070 -333931.6256 21965.2976 0.0000 0.0000 44478.5174 -222406.8951 161.8006 -266885.4125 -222066.8028 161.8006 -1366.5214 -2384.6634 921491.4634 -1366.5214 -2384.6634
ENERGY: 275 20005.4316 19374.0681 5703.3424 182.5376 -333318.5601 21960.8298 0.0000 0.0000 43741.9682 -222350.3824 159.1213 -266092.3505 -222065.7691 159.1213 -1269.7931 -2374.8869 921491.4634 -1269.7931 -2374.8869
ENERGY: 276 19401.8501 19594.7508 5701.2547 182.4904 -333292.1278 21971.0409 0.0000 0.0000 44028.5270 -222412.2139 160.1637 -266440.7409 -222072.9394 160.1637 -1580.1299 -2417.6040 921491.4634 -1580.1299 -2417.6040
ENERGY: 277 19149.2971 19724.7160 5695.5210 182.9396 -333864.3450 21997.2386 0.0000 0.0000 44632.8109 -222481.8216 162.3619 -267114.6326 -222061.0987 162.3619 -2311.7543 -2498.0544 921491.4634 -2311.7543 -2498.0544
ENERGY: 278 20199.4575 19713.7760 5686.9122 183.6585 -334821.0999 22041.3358 0.0000 0.0000 44532.2539 -222463.7060 161.9961 -266995.9599 -222063.4130 161.9961 -3254.8155 -2593.7696 921491.4634 -3254.8155 -2593.7696
ENERGY: 279 21984.3647 19593.9431 5677.5176 184.5187 -335888.5796 22096.4198 0.0000 0.0000 43975.0880 -222376.7278 159.9693 -266351.8158 -222065.2022 159.9693 -4044.3211 -2682.8389 921491.4634 -4044.3211 -2682.8389
TIMING: 280 CPU: 133.528, 0.4716/step Wall: 133.528, 0.4716/step, 0.02882 hours remaining, 3221.867188 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: 280 22859.3229 19458.4367 5670.0026 185.3899 -336752.6629 22145.1354 0.0000 0.0000 44066.7337 -222367.6418 160.3027 -266434.3755 -222073.4246 160.3027 -4286.3892 -2748.0546 921491.4634 -4286.3892 -2748.0546
ENERGY: 281 22172.5960 19445.1183 5667.0588 186.2206 -337154.6800 22172.1191 0.0000 0.0000 45063.2420 -222448.3252 163.9277 -267511.5672 -222064.8518 163.9277 -3881.2951 -2782.5901 921491.4634 -3881.2951 -2782.5901
ENERGY: 282 20943.7900 19615.5379 5669.9796 186.8360 -336942.5032 22176.7654 0.0000 0.0000 45823.3367 -222526.2576 166.6927 -268349.5944 -222063.3315 166.6927 -2992.3272 -2779.3667 921491.4634 -2992.3272 -2779.3667
ENERGY: 283 20432.1061 19966.6614 5678.8137 187.1634 -336251.9199 22171.0648 0.0000 0.0000 45328.8519 -222487.2586 164.8939 -267816.1105 -222060.8459 164.8939 -2008.7737 -2748.2306 921491.4634 -2008.7737 -2748.2306
ENERGY: 284 20506.3998 20401.8821 5692.0830 187.1346 -335412.6298 22166.2909 0.0000 0.0000 44071.4480 -222387.3914 160.3198 -266458.8393 -222061.5539 160.3198 -1267.2792 -2712.3901 921491.4634 -1267.2792 -2712.3901
ENERGY: 285 20203.3287 20789.9628 5707.3565 186.7145 -334827.1963 22167.0165 0.0000 0.0000 43418.2630 -222354.5544 157.9437 -265772.8174 -222053.5966 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6309 20966.5621 5721.5031 185.8229 -334658.1145 22176.6862 0.0000 0.0000 43785.6880 -222425.2211 159.2803 -266210.9091 -222054.0581 159.2803 -1306.7501 -2717.2846 921491.4634 -1306.7501 -2717.2846
ENERGY: 287 19176.1190 20856.7822 5731.9346 184.4714 -334918.1476 22200.2910 0.0000 0.0000 44282.9436 -222485.6058 161.0892 -266768.5494 -222055.7252 161.0892 -2148.9611 -2753.3343 921491.4634 -2148.9611 -2753.3343
ENERGY: 288 20263.2086 20475.2850 5736.9557 182.7335 -335468.3145 22237.9037 0.0000 0.0000 44116.9904 -222455.2376 160.4855 -266572.2280 -222066.9054 160.4855 -3310.5877 -2790.1553 921491.4634 -3310.5877 -2790.1553
ENERGY: 289 21886.4831 19928.6978 5736.1905 180.7560 -336126.9120 22279.0690 0.0000 0.0000 43733.4513 -222382.2642 159.0903 -266115.7155 -222062.2725 159.0903 -4368.9813 -2809.8749 921491.4634 -4368.9813 -2809.8749
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 290 22615.9843 19325.5265 5730.3279 178.6973 -336571.4572 22308.2174 0.0000 0.0000 44027.4234 -222385.2803 160.1597 -266412.7037 -222063.4684 160.1597 -4815.3286 -2796.0390 921491.4634 -4815.3286 -2796.0390
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LDB: ============= START OF LOAD BALANCING ============== 145.552
LDB: Largest compute 200 load 0.532362 is 1.2% of average load 45.839916
LDB: Average compute 0.064259 is 0.1% of average load 45.839916
LDB: TIME 145.554 LOAD: AVG 45.8399 MAX 47.2383 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.07 MB
LDB: TIME 145.555 LOAD: AVG 45.8399 MAX 47.2383 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3222.07 MB
LDB: TIME 145.57 LOAD: AVG 45.8399 MAX 46.3653 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3222.07 MB
LDB: ============== END OF LOAD BALANCING =============== 145.571
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 145.573
Info: Initial time: 4 CPUs 0.47205 s/step 5.46355 days/ns 3222.07 MB memory
TIMING: 300 CPU: 142.962, 0.471719/step Wall: 142.962, 0.471719/step, 0.0262066 hours remaining, 3222.066406 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: 300 21869.9882 20174.1890 5731.6694 182.6816 -337209.9031 22385.4780 0.0000 0.0000 44423.7995 -222442.0974 161.6016 -266865.8969 -222076.5870 161.6016 -4600.9409 -2563.6019 921491.4634 -4600.9409 -2563.6019
ENERGY: 301 21754.7700 20299.7853 5727.3852 184.0330 -337665.1002 22409.6627 0.0000 0.0000 44817.7465 -222471.7175 163.0346 -267289.4640 -222059.2469 163.0346 -4657.8464 -2584.2293 921491.4634 -4657.8464 -2584.2293
ENERGY: 302 21723.0649 20395.7908 5720.2599 184.8676 -337483.0154 22416.9293 0.0000 0.0000 44599.2669 -222442.8361 162.2399 -267042.1030 -222057.3400 162.2399 -3958.8650 -2554.2736 921491.4634 -3958.8650 -2554.2736
ENERGY: 303 21512.5328 20430.0801 5712.5286 185.2198 -336784.9551 22409.2049 0.0000 0.0000 44154.6910 -222380.6980 160.6226 -266535.3890 -222054.2089 160.6226 -2717.2719 -2487.9822 921491.4634 -2717.2719 -2487.9822
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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: 152.21, 0.462417/step Wall: 152.21, 0.462417/step, 0.0231208 hours remaining, 3222.066406 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: 322 22179.0069 20957.0456 5696.1855 180.4970 -337965.9628 22565.0701 0.0000 0.0000 43989.5239 -222398.6338 160.0218 -266388.1577 -222063.6577 160.0218 -4596.8830 -2640.5013 921491.4634 -4596.8830 -2640.5013
ENERGY: 323 21976.7004 21085.8079 5695.4505 181.8003 -337194.0744 22550.8101 0.0000 0.0000 43361.4904 -222342.0147 157.7372 -265703.5051 -222061.4466 157.7372 -3808.3607 -2616.6944 921491.4634 -3808.3607 -2616.6944
ENERGY: 324 20558.5068 20952.0213 5690.8581 183.3007 -336170.3972 22520.5738 0.0000 0.0000 43857.2501 -222407.8863 159.5406 -266265.1365 -222068.7482 159.5406 -2506.6901 -2573.6931 921491.4634 -2506.6901 -2573.6931
ENERGY: 325 19096.1752 20584.7378 5683.7432 184.8441 -335297.0510 22494.0541 0.0000 0.0000 44763.3954 -222490.1011 162.8369 -267253.4965 -222060.9513 162.8369 -1264.0246 -2529.6546 921491.4634 -1264.0246 -2529.6546
ENERGY: 326 18959.6362 20052.8005 5675.9627 186.2078 -334820.0101 22490.4166 0.0000 0.0000 44971.8222 -222483.1642 163.5951 -267454.9864 -222059.6109 163.5951 -572.2142 -2503.0559 921491.4634 -572.2142 -2503.0559
ENERGY: 327 20020.7821 19506.2795 5669.7116 187.2139 -334851.2527 22513.0142 0.0000 0.0000 44550.7424 -222403.5090 162.0634 -266954.2514 -222059.8761 162.0634 -657.4991 -2506.5014 921491.4634 -657.4991 -2506.5014
ENERGY: 328 20934.1977 19092.0093 5666.7484 187.7399 -335303.4710 22549.7450 0.0000 0.0000 44493.2356 -222379.7952 161.8542 -266873.0308 -222061.7262 161.8542 -1393.2038 -2547.3520 921491.4634 -1393.2038 -2547.3520
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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: 330 21142.6834 18933.5043 5673.1988 187.2569 -336566.3117 22617.7576 0.0000 0.0000 45495.0146 -222516.8961 165.4984 -268011.9107 -222062.1154 165.4984 -3602.9591 -2673.3214 921491.4634 -3602.9591 -2673.3214
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ENERGY: 337 20420.1633 19649.7063 5693.3319 179.7347 -334824.3555 22536.4220 0.0000 0.0000 43995.5997 -222349.3977 160.0439 -266344.9974 -222040.1026 160.0439 -1064.7183 -2460.5860 921491.4634 -1064.7183 -2460.5860
ENERGY: 338 21007.5743 19722.4643 5687.5590 179.5437 -335808.8617 22564.1941 0.0000 0.0000 44285.9173 -222361.6089 161.1000 -266647.5263 -222041.5959 161.1000 -1500.9497 -2462.8576 921491.4634 -1500.9497 -2462.8576
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TIMING: 340 CPU: 161.453, 0.462126/step Wall: 161.453, 0.462126/step, 0.0205389 hours remaining, 3222.066406 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: 350 21009.3450 19066.8675 5675.7227 182.5405 -336836.8352 22661.9752 0.0000 0.0000 45710.0733 -222530.3110 166.2807 -268240.3843 -222058.0880 166.2807 -2896.5509 -2326.8868 921491.4634 -2896.5509 -2326.8868
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TIMING: 360 CPU: 170.686, 0.461672/step Wall: 170.686, 0.461672/step, 0.0179539 hours remaining, 3222.066406 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: 378 20473.8098 20495.6594 5711.4639 183.2952 -336584.2270 22821.5832 0.0000 0.0000 44474.7536 -222423.6620 161.7869 -266898.4157 -222044.3967 161.7869 -2972.9872 -2523.3500 921491.4634 -2972.9872 -2523.3500
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TIMING: 380 CPU: 179.918, 0.461571/step Wall: 179.918, 0.461571/step, 0.0153857 hours remaining, 3222.066406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 383 21263.6994 19910.9246 5714.6670 180.7419 -337128.0229 22911.2840 0.0000 0.0000 44707.9445 -222438.7615 162.6352 -267146.7059 -222048.1884 162.6352 -2023.0807 -2294.0135 921491.4634 -2023.0807 -2294.0135
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ENERGY: 385 19327.8183 19356.8912 5707.7751 177.4354 -335210.6402 22871.6139 0.0000 0.0000 45299.7171 -222469.3892 164.7879 -267769.1063 -222051.0996 164.7879 215.3511 -2064.3638 921491.4634 215.3511 -2064.3638
ENERGY: 386 19981.2275 19220.9464 5707.6637 175.9384 -334865.1818 22880.7953 0.0000 0.0000 44519.8586 -222378.7518 161.9510 -266898.6104 -222051.0440 161.9510 122.6667 -2011.2430 921491.4634 122.6667 -2011.2430
ENERGY: 387 20367.2860 19202.4843 5710.9354 174.6759 -335109.8724 22905.2739 0.0000 0.0000 44377.1817 -222372.0352 161.4320 -266749.2168 -222053.0052 161.4320 -738.9586 -2019.1691 921491.4634 -738.9586 -2019.1691
ENERGY: 388 20282.3986 19280.0166 5717.2934 173.7038 -335824.1514 22938.2896 0.0000 0.0000 44972.7762 -222459.6732 163.5986 -267432.4495 -222067.4818 163.5986 -2063.8553 -2076.2822 921491.4634 -2063.8553 -2076.2822
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 398 19692.8115 20133.3591 5716.9814 176.0456 -336812.3377 23014.0582 0.0000 0.0000 45592.7324 -222486.3496 165.8538 -268079.0820 -222045.7222 165.8538 -1710.2236 -2443.6966 921491.4634 -1710.2236 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 191.762
LDB: Largest compute 230 load 0.526309 is 1.1% of average load 45.772308
LDB: Average compute 0.064131 is 0.1% of average load 45.772308
LDB: TIME 191.764 LOAD: AVG 45.7723 MAX 46.1889 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.07 MB
LDB: TIME 191.764 LOAD: AVG 45.7723 MAX 46.1889 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3222.07 MB
LDB: TIME 191.764 LOAD: AVG 45.7723 MAX 46.1889 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3222.07 MB
LDB: ============== END OF LOAD BALANCING =============== 191.765
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 191.766
Info: Benchmark time: 4 CPUs 0.46185 s/step 5.34549 days/ns 3222.07 MB memory
TIMING: 400 CPU: 189.151, 0.461666/step Wall: 189.151, 0.461666/step, 0.0128241 hours remaining, 3222.066406 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 22444.0481 19835.9109 5715.8942 173.8391 -338107.6290 23109.6376 0.0000 0.0000 44436.8098 -222391.4893 161.6489 -266828.2991 -222049.2229 161.6489 -4939.3797 -2681.7025 921491.4634 -4939.3797 -2681.7025
ENERGY: 403 20784.9696 19778.4829 5715.7218 174.2695 -337239.9788 23077.8401 0.0000 0.0000 45225.5962 -222483.0987 164.5183 -267708.6949 -222046.6857 164.5183 -3613.5980 -2605.7429 921491.4634 -3613.5980 -2605.7429
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ENERGY: 409 20350.1186 19376.4606 5688.4775 191.1593 -336896.6841 23057.9923 0.0000 0.0000 45733.6055 -222498.8704 166.3663 -268232.4759 -222051.6705 166.3663 -2367.4918 -2346.9324 921491.4634 -2367.4918 -2346.9324
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: 415 19745.2667 20572.1257 5708.7451 198.1487 -336456.1967 23071.1993 0.0000 0.0000 44733.2267 -222427.4845 162.7272 -267160.7112 -222049.0347 162.7272 -1174.6451 -2266.5614 921491.4634 -1174.6451 -2266.5614
ENERGY: 416 19942.3169 20661.9894 5710.0857 195.6953 -336157.5858 23063.1717 0.0000 0.0000 44200.2845 -222384.0423 160.7885 -266584.3268 -222052.9646 160.7885 -282.7612 -2224.6896 921491.4634 -282.7612 -2224.6896
ENERGY: 417 20031.3749 20631.3207 5709.0493 192.4696 -336373.1073 23072.1100 0.0000 0.0000 44338.4615 -222398.3211 161.2911 -266736.7827 -222044.6995 161.2911 -112.4551 -2227.1698 921491.4634 -112.4551 -2227.1698
ENERGY: 418 20154.6647 20457.0908 5705.5847 188.6536 -336970.7866 23098.6728 0.0000 0.0000 44915.1420 -222450.9780 163.3889 -267366.1200 -222046.7095 163.3889 -671.8544 -2269.9920 921491.4634 -671.8544 -2269.9920
ENERGY: 419 20790.7630 20185.5523 5700.4810 184.6054 -337717.8756 23139.8024 0.0000 0.0000 45250.3099 -222466.3615 164.6082 -267716.6714 -222049.5952 164.6082 -1783.9420 -2336.6464 921491.4634 -1783.9420 -2336.6464
TIMING: 420 CPU: 198.358, 0.460337/step Wall: 198.358, 0.460337/step, 0.0102297 hours remaining, 3222.066406 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: 427 19598.5316 19595.2899 5707.1504 168.7509 -335498.4318 23074.5004 0.0000 0.0000 44915.2777 -222438.9310 163.3894 -267354.2087 -222048.7338 163.3894 -741.9008 -2207.6355 921491.4634 -741.9008 -2207.6355
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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 22013.9870 20024.3738 5712.1700 168.1897 -338096.9200 23149.4489 0.0000 0.0000 44626.3097 -222402.4408 162.3382 -267028.7505 -222047.3917 162.3382 -2472.2457 -2268.0465 921491.4634 -2472.2457 -2268.0465
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ENERGY: 432 21768.3703 20188.6725 5710.3546 168.1086 -338651.2091 23176.0841 0.0000 0.0000 45177.9905 -222461.6285 164.3451 -267639.6190 -222065.9058 164.3451 -3350.2742 -2296.1496 921491.4634 -3350.2742 -2296.1496
ENERGY: 433 21200.9072 20275.9663 5710.3763 168.4633 -338164.0626 23162.2906 0.0000 0.0000 45192.9279 -222453.1311 164.3995 -267646.0589 -222052.5982 164.3995 -3187.3733 -2272.1275 921491.4634 -3187.3733 -2272.1275
ENERGY: 434 20730.3413 20338.1497 5711.6061 169.3247 -337394.2692 23140.7731 0.0000 0.0000 44883.0993 -222420.9751 163.2724 -267304.0744 -222051.1462 163.2724 -2694.3107 -2227.7884 921491.4634 -2694.3107 -2227.7884
ENERGY: 435 20235.2200 20362.4012 5714.0003 170.8455 -336680.6542 23123.4093 0.0000 0.0000 44675.9836 -222398.7944 162.5189 -267074.7780 -222049.5888 162.5189 -2061.3580 -2179.8950 921491.4634 -2061.3580 -2179.8950
ENERGY: 436 19670.9241 20349.9978 5717.2345 173.0864 -336303.8799 23119.9074 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 19434.5515 20329.5089 5720.9893 175.9827 -336411.9772 23136.3864 0.0000 0.0000 45159.2684 -222455.2900 164.2770 -267614.5584 -222050.7502 164.2770 -1319.1168 -2134.4848 921491.4634 -1319.1168 -2134.4848
ENERGY: 438 19935.1532 20278.6093 5724.6883 179.3848 -336899.4564 23173.5516 0.0000 0.0000 45148.1319 -222459.9373 164.2365 -267608.0692 -222051.5668 164.2365 -1493.0940 -2145.0880 921491.4634 -1493.0940 -2145.0880
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TIMING: 440 CPU: 207.558, 0.459992/step Wall: 207.558, 0.459992/step, 0.00766654 hours remaining, 3222.066406 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 22071.5682 20036.2371 5729.7526 186.7201 -338123.1797 23276.2482 0.0000 0.0000 44417.5454 -222405.1080 161.5788 -266822.6534 -222059.4774 161.5788 -2408.4613 -2197.9672 921491.4634 -2408.4613 -2197.9672
ENERGY: 441 22355.5485 19860.0409 5730.3487 190.1145 -338361.1707 23313.2041 0.0000 0.0000 44502.6959 -222409.2180 161.8886 -266911.9139 -222050.0861 161.8886 -2716.1029 -2221.5314 921491.4634 -2716.1029 -2221.5314
ENERGY: 442 21853.6117 19664.5350 5729.4854 192.9411 -338090.1525 23327.1564 0.0000 0.0000 44880.6314 -222441.7915 163.2634 -267322.4229 -222049.7756 163.2634 -2710.5578 -2229.0697 921491.4634 -2710.5578 -2229.0697
ENERGY: 443 21064.3316 19487.0723 5727.6164 194.9329 -337369.3142 23320.0154 0.0000 0.0000 45118.1101 -222457.2355 164.1273 -267575.3456 -222048.5997 164.1273 -2448.1650 -2220.3532 921491.4634 -2448.1650 -2220.3532
ENERGY: 444 20449.3363 19357.2690 5725.4095 195.8734 -336464.1917 23301.5272 0.0000 0.0000 44987.7171 -222447.0591 163.6530 -267434.7763 -222057.9801 163.6530 -2090.2100 -2206.4400 921491.4634 -2090.2100 -2206.4400
ENERGY: 445 20125.5607 19307.2517 5723.6512 195.6942 -335759.3909 23283.8135 0.0000 0.0000 44708.7150 -222414.7045 162.6380 -267123.4195 -222046.5431 162.6380 -1846.9626 -2201.6926 921491.4634 -1846.9626 -2201.6926
ENERGY: 446 19947.6804 19324.9005 5722.5429 194.3235 -335494.5703 23276.0447 0.0000 0.0000 44620.2940 -222408.7842 162.3164 -267029.0782 -222046.1623 162.3164 -1800.7518 -2216.7294 921491.4634 -1800.7518 -2216.7294
ENERGY: 447 19914.2848 19416.0209 5722.2106 191.8641 -335769.4394 23282.7454 0.0000 0.0000 44816.5082 -222425.8053 163.0301 -267242.3135 -222046.8346 163.0301 -1993.3112 -2253.0604 921491.4634 -1993.3112 -2253.0604
ENERGY: 448 20187.5921 19583.6799 5722.5764 188.5554 -336503.1793 23303.8900 0.0000 0.0000 45065.6667 -222451.2188 163.9365 -267516.8855 -222059.3483 163.9365 -2372.1878 -2303.7899 921491.4634 -2372.1878 -2303.7899
ENERGY: 449 20877.4059 19832.6985 5723.5712 184.8596 -337500.9063 23334.5918 0.0000 0.0000 45101.1671 -222446.6122 164.0657 -267547.7793 -222047.7102 164.0657 -2827.1082 -2356.1408 921491.4634 -2827.1082 -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 21754.4852 20108.1298 5724.4776 181.0897 -338419.3240 23364.6237 0.0000 0.0000 44854.3090 -222432.2089 163.1676 -267286.5179 -222048.7863 163.1676 -3116.6757 -2394.3897 921491.4634 -3116.6757 -2394.3897
ENERGY: 451 22355.5900 20357.7253 5724.7144 177.6517 -338952.0898 23381.8001 0.0000 0.0000 44542.6980 -222411.9103 162.0341 -266954.6083 -222048.8249 162.0341 -3074.2535 -2405.7799 921491.4634 -3074.2535 -2405.7799
ENERGY: 452 22246.2013 20536.0132 5723.8953 174.8859 -338927.1525 23378.0937 0.0000 0.0000 44452.9190 -222415.1441 161.7075 -266868.0631 -222059.6372 161.7075 -2659.9607 -2384.7569 921491.4634 -2659.9607 -2384.7569
ENERGY: 453 21399.8724 20641.1308 5722.2878 173.1350 -338392.7922 23354.5901 0.0000 0.0000 44683.7028 -222418.0732 162.5470 -267101.7760 -222043.5374 162.5470 -2048.3340 -2342.4669 921491.4634 -2048.3340 -2342.4669
ENERGY: 454 20248.3379 20654.1370 5720.2217 172.3637 -337567.1403 23320.6895 0.0000 0.0000 45008.1462 -222443.2444 163.7273 -267451.3905 -222041.8393 163.7273 -1453.4580 -2293.1451 921491.4634 -1453.4580 -2293.1451
ENERGY: 455 19486.7905 20584.7117 5718.4844 172.5169 -336790.6443 23290.4016 0.0000 0.0000 45086.5786 -222451.1605 164.0126 -267537.7392 -222040.8572 164.0126 -1151.8825 -2255.8573 921491.4634 -1151.8825 -2255.8573
ENERGY: 456 19493.3721 20440.6798 5717.7556 173.4248 -336350.1068 23274.9624 0.0000 0.0000 44811.4724 -222438.4398 163.0118 -267249.9122 -222055.3488 163.0118 -1305.5006 -2245.5825 921491.4634 -1305.5006 -2245.5825
ENERGY: 457 20047.4930 20251.9433 5718.5580 174.9241 -336395.8160 23277.8267 0.0000 0.0000 44521.8704 -222403.2004 161.9583 -266925.0708 -222049.4135 161.9583 -1906.4167 -2263.5015 921491.4634 -1906.4167 -2263.5015
ENERGY: 458 20585.8436 20019.2722 5720.7061 176.6081 -336835.0955 23294.7165 0.0000 0.0000 44632.7888 -222405.1601 162.3618 -267037.9489 -222051.2824 162.3618 -2684.6990 -2301.0430 921491.4634 -2684.6990 -2301.0430
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TIMING: 460 CPU: 216.762, 0.4602/step Wall: 216.762, 0.4602/step, 0.00511333 hours remaining, 3222.066406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6138 19597.9065 5728.0971 179.4910 -338014.3763 23341.7993 0.0000 0.0000 45423.8568 -222480.6118 165.2395 -267904.4686 -222064.6837 165.2395 -3669.8205 -2365.2415 921491.4634 -3669.8205 -2365.2415
ENERGY: 461 21862.8762 19507.1077 5732.5753 180.4333 -338251.6212 23355.3927 0.0000 0.0000 45154.6140 -222458.6221 164.2601 -267613.2361 -222058.0508 164.2601 -3556.1670 -2361.1802 921491.4634 -3556.1670 -2361.1802
ENERGY: 462 22264.2256 19487.8110 5736.4822 180.9531 -337988.7166 23351.1077 0.0000 0.0000 44559.9293 -222408.2076 162.0968 -266968.1369 -222056.7216 162.0968 -2954.8204 -2323.4254 921491.4634 -2954.8204 -2323.4254
ENERGY: 463 21821.1792 19513.9017 5738.9361 181.1160 -337284.1024 23326.9469 0.0000 0.0000 44313.4573 -222388.5654 161.2002 -266702.0226 -222054.6244 161.2002 -2012.4428 -2264.0781 921491.4634 -2012.4428 -2264.0781
ENERGY: 464 20535.2459 19559.9273 5739.2518 181.0096 -336389.3834 23291.1933 0.0000 0.0000 44654.0270 -222428.7285 162.4391 -267082.7554 -222058.5729 162.4391 -1050.9229 -2205.5271 921491.4634 -1050.9229 -2205.5271
ENERGY: 465 19322.7825 19631.8855 5737.2898 180.7155 -335701.1527 23259.7383 0.0000 0.0000 45094.5691 -222474.1719 164.0416 -267568.7410 -222052.9388 164.0416 -512.3348 -2174.4011 921491.4634 -512.3348 -2174.4011
ENERGY: 466 19088.4509 19708.3583 5733.2107 180.2808 -335443.7718 23245.0596 0.0000 0.0000 45020.7910 -222467.6206 163.7733 -267488.4116 -222052.9785 163.7733 -630.3316 -2182.6713 921491.4634 -630.3316 -2182.6713
ENERGY: 467 19841.8070 19783.1744 5727.6703 179.7757 -335721.0942 23249.4522 0.0000 0.0000 44523.6665 -222415.5482 161.9649 -266939.2147 -222054.3495 161.9649 -1393.6031 -2232.5926 921491.4634 -1393.6031 -2232.5926
ENERGY: 468 20761.8482 19845.4943 5721.5089 179.2778 -336451.5660 23265.8117 0.0000 0.0000 44291.6585 -222385.9666 161.1209 -266677.6251 -222056.3594 161.1209 -2508.6718 -2314.1344 921491.4634 -2508.6718 -2314.1344
ENERGY: 469 21236.3014 19910.2021 5715.6824 178.8504 -337458.3195 23284.3953 0.0000 0.0000 44720.3203 -222412.5676 162.6802 -267132.8879 -222046.0753 162.6802 -3596.7410 -2405.7977 921491.4634 -3596.7410 -2405.7977
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1729 19972.8932 5710.9491 178.5947 -338383.2500 23297.0664 0.0000 0.0000 45346.4576 -222466.1160 164.9579 -267812.5736 -222047.6092 164.9579 -4259.7000 -2477.6835 921491.4634 -4259.7000 -2477.6835
ENERGY: 471 21732.8676 20054.6832 5707.9626 178.5890 -338913.2444 23297.5077 0.0000 0.0000 45471.3368 -222470.2974 165.4122 -267941.6342 -222047.5362 165.4122 -4290.5688 -2504.3180 921491.4634 -4290.5688 -2504.3180
ENERGY: 472 22081.2361 20161.5547 5707.0091 178.9047 -338870.6757 23279.4484 0.0000 0.0000 45028.5297 -222433.9931 163.8014 -267462.5228 -222059.5060 163.8014 -3659.7365 -2479.9188 921491.4634 -3659.7365 -2479.9188
ENERGY: 473 21866.1363 20289.3421 5707.9842 179.6165 -338307.7182 23240.7356 0.0000 0.0000 44634.5174 -222389.3860 162.3681 -267023.9035 -222043.8541 162.3681 -2556.3620 -2408.1661 921491.4634 -2556.3620 -2408.1661
ENERGY: 474 20842.9703 20372.0981 5710.2160 180.7466 -337438.4544 23189.2341 0.0000 0.0000 44733.2309 -222409.9583 162.7272 -267143.1892 -222041.2621 162.7272 -1295.5529 -2316.2732 921491.4634 -1295.5529 -2316.2732
ENERGY: 475 19674.2078 20371.7669 5712.9876 182.2512 -336604.2305 23142.3811 0.0000 0.0000 45070.2141 -222450.4218 163.9531 -267520.6359 -222039.4531 163.9531 -344.6453 -2232.2129 921491.4634 -344.6453 -2232.2129
ENERGY: 476 19235.7860 20282.0271 5715.7683 184.0125 -336100.0899 23115.8461 0.0000 0.0000 45106.0635 -222460.5864 164.0835 -267566.6499 -222053.6140 164.0835 -92.4052 -2183.0655 921491.4634 -92.4052 -2183.0655
ENERGY: 477 19704.7250 20145.9811 5718.4976 185.9230 -336101.8787 23114.2934 0.0000 0.0000 44812.3209 -222420.1377 163.0149 -267232.4586 -222044.8414 163.0149 -667.4948 -2171.8231 921491.4634 -667.4948 -2171.8231
ENERGY: 478 20493.4777 19974.7637 5721.0254 187.7262 -336537.4035 23131.2455 0.0000 0.0000 44627.0333 -222402.1317 162.3409 -267029.1650 -222047.4109 162.3409 -1807.1607 -2198.7959 921491.4634 -1807.1607 -2198.7959
ENERGY: 479 21125.3058 19793.3956 5723.3295 189.2099 -337215.5839 23156.6767 0.0000 0.0000 44802.1579 -222425.5085 162.9779 -267227.6665 -222050.5463 162.9779 -3089.8518 -2246.7920 921491.4634 -3089.8518 -2246.7920
TIMING: 480 CPU: 225.96, 0.459943/step Wall: 225.96, 0.459943/step, 0.00255524 hours remaining, 3222.066406 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 21624.0326 19623.1966 5725.3111 190.1900 -337854.6789 23181.5114 0.0000 0.0000 45051.6817 -222458.7555 163.8856 -267510.4372 -222064.6215 163.8856 -4077.7330 -2291.4896 921491.4634 -4077.7330 -2291.4896
ENERGY: 481 22092.4854 19510.0436 5727.0952 190.6351 -338199.2485 23196.7955 0.0000 0.0000 45041.3370 -222440.8568 163.8480 -267482.1937 -222052.5271 163.8480 -4466.2398 -2305.6736 921491.4634 -4466.2398 -2305.6736
ENERGY: 482 22186.3469 19466.6797 5728.4963 190.3598 -338044.5423 23192.7470 0.0000 0.0000 44865.8521 -222414.0605 163.2096 -267279.9126 -222051.4118 163.2096 -4059.3102 -2278.0619 921491.4634 -4059.3102 -2278.0619
ENERGY: 483 21553.1414 19511.5748 5729.5660 189.3226 -337426.2189 23165.8736 0.0000 0.0000 44861.8970 -222414.8435 163.1953 -267276.7405 -222048.7677 163.1953 -2964.1726 -2216.4120 921491.4634 -2964.1726 -2216.4120
ENERGY: 484 20460.8924 19631.1942 5730.2464 187.5455 -336590.8884 23126.1347 0.0000 0.0000 45003.6033 -222451.2719 163.7107 -267454.8752 -222059.8744 163.7107 -1565.2427 -2143.1852 921491.4634 -1565.2427 -2143.1852
ENERGY: 485 19688.7719 19800.2994 5730.5256 185.2458 -335902.5865 23092.8465 0.0000 0.0000 44955.5725 -222449.3248 163.5360 -267404.8973 -222045.9608 163.5360 -422.1572 -2086.8738 921491.4634 -422.1572 -2086.8738
ENERGY: 486 19602.5426 19954.8178 5729.7197 182.4662 -335612.3565 23080.3802 0.0000 0.0000 44645.9116 -222416.5184 162.4096 -267062.4300 -222044.6762 162.4096 87.3178 -2070.0985 921491.4634 87.3178 -2070.0985
ENERGY: 487 19881.0925 20072.0214 5727.4347 179.4360 -335846.4478 23091.0538 0.0000 0.0000 44503.3493 -222392.0601 161.8910 -266895.4094 -222045.2409 161.8910 -192.2349 -2106.8843 921491.4634 -192.2349 -2106.8843
ENERGY: 488 20125.2098 20156.1361 5723.5440 176.4338 -336552.5446 23118.8610 0.0000 0.0000 44827.0557 -222425.3042 163.0685 -267252.3599 -222057.1939 163.0685 -1145.7536 -2194.6682 921491.4634 -1145.7536 -2194.6682
ENERGY: 489 20526.8870 20236.4607 5718.5748 173.8639 -337540.4649 23156.7304 0.0000 0.0000 45266.1006 -222461.8474 164.6656 -267727.9480 -222045.6086 164.6656 -2511.2407 -2316.7069 921491.4634 -2511.2407 -2316.7069
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7489 20292.9019 5712.8912 171.8438 -338458.1354 23196.4871 0.0000 0.0000 45213.5631 -222459.6994 164.4745 -267673.2625 -222048.2208 164.4745 -3823.4041 -2437.4157 921491.4634 -3823.4041 -2437.4157
ENERGY: 491 22430.4640 20312.1358 5707.3794 170.5404 -338984.5786 23226.0930 0.0000 0.0000 44733.0090 -222404.9569 162.7264 -267137.9660 -222049.4639 162.7264 -4629.6936 -2524.6217 921491.4634 -4629.6936 -2524.6217
ENERGY: 492 22612.9548 20289.6808 5702.9944 170.0207 -338937.5807 23232.7198 0.0000 0.0000 44542.1950 -222387.0151 162.0323 -266929.2102 -222060.3861 162.0323 -4606.8526 -2557.4731 921491.4634 -4606.8526 -2557.4731
ENERGY: 493 21558.2189 20260.7372 5700.7778 170.3200 -338358.0623 23214.0529 0.0000 0.0000 45033.8229 -222420.1326 163.8207 -267453.9555 -222046.5901 163.8207 -3796.3821 -2540.0998 921491.4634 -3796.3821 -2540.0998
ENERGY: 494 20068.3366 20225.0260 5700.9805 171.2192 -337454.3824 23183.0787 0.0000 0.0000 45622.2474 -222483.4940 165.9612 -268105.7413 -222044.0868 165.9612 -2500.8995 -2482.1070 921491.4634 -2500.8995 -2482.1070
ENERGY: 495 19383.2462 20186.8300 5703.5926 172.5416 -336566.9874 23159.4616 0.0000 0.0000 45484.1229 -222477.1925 165.4587 -267961.3154 -222041.5564 165.4587 -1249.6840 -2407.3058 921491.4634 -1249.6840 -2407.3058
ENERGY: 496 19722.4833 20130.6472 5708.0350 174.0933 -335998.7144 23154.2626 0.0000 0.0000 44699.5267 -222409.6663 162.6046 -267109.1930 -222049.0673 162.6046 -478.9001 -2343.4754 921491.4634 -478.9001 -2343.4754
ENERGY: 497 20212.6667 20059.9176 5713.4612 175.7241 -335952.5031 23166.3536 0.0000 0.0000 44261.0286 -222363.3513 161.0095 -266624.3799 -222042.7503 161.0095 -421.0236 -2316.7931 921491.4634 -421.0236 -2316.7931
ENERGY: 498 20182.0163 19957.1215 5718.5596 177.2604 -336366.4923 23189.3575 0.0000 0.0000 44728.2533 -222413.9236 162.7091 -267142.1769 -222044.5223 162.7091 -993.4683 -2331.6476 921491.4634 -993.4683 -2331.6476
ENERGY: 499 20158.0676 19847.7308 5722.4089 178.6361 -337058.4815 23219.2394 0.0000 0.0000 45439.2643 -222493.1342 165.2956 -267932.3986 -222047.2065 165.2956 -2020.8691 -2376.3394 921491.4634 -2020.8691 -2376.3394
Info: Benchmark time: 4 CPUs 0.459364 s/step 5.31672 days/ns 3222.07 MB memory
TIMING: 500 CPU: 235.088, 0.456356/step Wall: 235.088, 0.456356/step, 0 hours remaining, 3222.066406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8936 19756.6585 5724.4523 179.8271 -337741.4182 23251.0999 0.0000 0.0000 45359.0777 -222495.4092 165.0039 -267854.4869 -222061.0910 165.0039 -3197.5169 -2425.4143 921491.4634 -3197.5169 -2425.4143
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3227.516 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3227.516 MB of memory in use
====================================================
WallClock: 238.588364 CPUTime: 238.588379 Memory: 3227.515625 MB
[Partition 0][Node 0] End of program
Application 287081 resources: utime ~942s, stime ~14s, Rss ~127252, inblocks ~66494, outblocks ~71266
[SSH] exit-status: 0
[NAMD-Run] $ /bin/sh -xe /tmp/hudson1324656513592594540.sh
+ scp [email protected]:/scratch/jenkins/applications/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/workspace/NAMD-Run
NCSA JYC System
Access status: User Access UnRestricted.
Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.
+ scp [email protected]:/scratch/jenkins/applications/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/workspace/NAMD-Run
NCSA JYC System
Access status: User Access UnRestricted.
Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.
+ scp [email protected]:/scratch/jenkins/applications/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/workspace/NAMD-Run
NCSA JYC System
Access status: User Access UnRestricted.
Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.
Recording plot data
Saving plot series data from: /var/lib/jenkins/workspace/NAMD-Run/wallclock
Saving plot series data from: /var/lib/jenkins/workspace/NAMD-Run/cputime
Saving plot series data from: /var/lib/jenkins/workspace/NAMD-Run/memory
Finished: SUCCESS
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