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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 ============== 51.2602
LDB: Largest compute 200 load 0.429626 is 1.2% of average load 36.746155
LDB: Average compute 0.051491 is 0.1% of average load 36.746155
LDB: Partitioning computes with target load 3.674616
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055602
LDB: ============== END OF LOAD BALANCING =============== 51.2624
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 51.2633
Info: Initial time: 4 CPUs 0.474427 s/step 5.49105 days/ns 3219.33 MB memory
TIMING: 100 CPU: 48.41, 0.473373/step Wall: 48.41, 0.473373/step, 0.052597 hours remaining, 3219.328125 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 ============== 60.7136
LDB: ============== END OF LOAD BALANCING =============== 60.7137
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 60.7142
TIMING: 120 CPU: 57.8588, 0.472441/step Wall: 57.8588, 0.472441/step, 0.0498687 hours remaining, 3219.476562 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 18898.7762 5736.4508 185.0194 -334776.0137 21118.0422 0.0000 0.0000 44811.1497 -222472.9667 163.0106 -267284.1163 -222216.5364 163.0106 -5536.0555 -2842.3154 921491.4634 -5536.0555 -2842.3154
ENERGY: 131 21530.9956 19804.6628 5745.0872 187.0957 -335083.2644 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 20951.9797 5753.4447 189.2233 -334841.7367 21081.3851 0.0000 0.0000 42732.1266 -222437.0590 155.4477 -265169.1856 -222222.8146 155.4477 -4015.6410 -2856.5553 921491.4634 -4015.6410 -2856.5553
ENERGY: 133 21569.7010 21939.4305 5759.4053 191.1377 -334187.7137 21049.8506 0.0000 0.0000 41346.5715 -222331.6171 150.4075 -263678.1886 -222209.0242 150.4075 -2436.6193 -2806.2333 921491.4634 -2436.6193 -2806.2333
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ENERGY: 138 21874.8525 19195.4801 5730.8549 192.8766 -333203.4340 21083.5324 0.0000 0.0000 42784.9639 -222340.8737 155.6399 -265125.8376 -222213.1813 155.6399 -2704.7054 -2927.3524 921491.4634 -2704.7054 -2927.3524
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TIMING: 140 CPU: 67.2994, 0.472031/step Wall: 67.2994, 0.472031/step, 0.0472031 hours remaining, 3219.640625 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 140 20992.5977 17997.1577 5722.1741 192.2140 -333726.9442 21127.4061 0.0000 0.0000 45144.2513 -222551.1434 164.2224 -267695.3947 -222224.0362 164.2224 -5617.7627 -3080.3638 921491.4634 -5617.7627 -3080.3638
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 150 21015.8993 19956.3836 5767.3089 192.0924 -334899.3755 20845.5771 0.0000 0.0000 44606.5896 -222515.5246 162.2665 -267122.1142 -222153.2667 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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TIMING: 160 CPU: 76.7288, 0.471467/step Wall: 76.7288, 0.471467/step, 0.0445274 hours remaining, 3219.796875 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 176 19195.1038 18891.7628 5743.5896 160.0071 -332124.2127 20943.2095 0.0000 0.0000 44722.5120 -222468.0278 162.6882 -267190.5398 -222127.3370 162.6882 -2658.3220 -2727.5043 921491.4634 -2658.3220 -2727.5043
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TIMING: 180 CPU: 86.1468, 0.4709/step Wall: 86.1468, 0.4709/step, 0.0418578 hours remaining, 3219.937500 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 19266.0406 19234.9572 5686.4352 181.9571 -332240.0939 21043.7459 0.0000 0.0000 44391.5887 -222435.3692 161.4844 -266826.9578 -222129.2888 161.4844 -2596.4733 -2731.4264 921491.4634 -2596.4733 -2731.4264
ENERGY: 187 22073.2968 19471.4305 5678.7398 184.6336 -333156.1128 21076.9265 0.0000 0.0000 42449.0055 -222222.0801 154.4178 -264671.0857 -222130.9080 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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LDB: ============= START OF LOAD BALANCING ============== 98.4214
LDB: Largest compute 200 load 0.424055 is 1.2% of average load 36.562907
LDB: Average compute 0.051233 is 0.1% of average load 36.562907
LDB: TIME 98.4233 LOAD: AVG 36.5629 MAX 37.7072 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3220.28 MB
LDB: TIME 98.4254 LOAD: AVG 36.5629 MAX 37.4994 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3220.28 MB
LDB: ============== END OF LOAD BALANCING =============== 98.4273
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 98.4304
Info: Initial time: 4 CPUs 0.471503 s/step 5.45721 days/ns 3221.52 MB memory
TIMING: 200 CPU: 95.5701, 0.471167/step Wall: 95.5701, 0.471167/step, 0.0392639 hours remaining, 3221.515625 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 18595.6349 5711.8747 190.0258 -334670.2811 21209.9247 0.0000 0.0000 45319.1601 -222569.9772 164.8586 -267889.1374 -222114.5245 164.8586 -5241.8525 -2703.6813 921491.4634 -5241.8525 -2703.6813
ENERGY: 201 23380.1030 18674.3333 5716.2802 191.4189 -334751.7132 21239.1340 0.0000 0.0000 43222.4696 -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 21215.8254 0.0000 0.0000 44059.6986 -222431.1634 160.2771 -266490.8621 -222093.6427 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6124 19486.9557 5734.1463 191.2124 -332722.2201 21188.8403 0.0000 0.0000 45629.4719 -222628.9811 165.9875 -268258.4530 -222116.7003 165.9875 452.9932 -2462.2930 921491.4634 452.9932 -2462.2930
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ENERGY: 208 20293.2702 20371.8903 5718.1572 182.8654 -334789.2376 21322.2410 0.0000 0.0000 44428.6270 -222472.1865 161.6191 -266900.8135 -222122.6314 161.6191 -3669.0641 -2719.7952 921491.4634 -3669.0641 -2719.7952
ENERGY: 209 19428.8170 20325.0057 5710.3389 180.5135 -335910.2411 21349.5044 0.0000 0.0000 46273.6801 -222642.3815 168.3309 -268916.0616 -222106.7900 168.3309 -5197.7273 -2836.6306 921491.4634 -5197.7273 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1734 20194.2567 5705.3139 178.4614 -336615.7766 21385.1095 0.0000 0.0000 45251.4335 -222516.0281 164.6123 -267767.4616 -222108.2016 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -2896.2627
ENERGY: 211 24099.1928 19985.8630 5704.9373 176.9105 -336667.8925 21415.1477 0.0000 0.0000 43031.7285 -222254.1128 156.5376 -265285.8413 -222106.8541 156.5376 -5900.2977 -2885.1010 921491.4634 -5900.2977 -2885.1010
ENERGY: 212 23739.2710 19730.8220 5710.0295 176.0352 -336013.6227 21412.5983 0.0000 0.0000 42995.1638 -222249.7028 156.4046 -265244.8666 -222104.2320 156.4046 -4424.1003 -2820.3211 921491.4634 -4424.1003 -2820.3211
ENERGY: 213 20150.2161 19524.5247 5720.1722 175.9508 -334874.6443 21380.5552 0.0000 0.0000 45418.7805 -222504.4449 165.2210 -267923.2254 -222097.3837 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
ENERGY: 214 17315.5529 19421.7446 5733.3059 176.6827 -333645.3936 21358.4485 0.0000 0.0000 46958.4702 -222681.1887 170.8220 -269639.6589 -222093.7409 170.8220 -143.6686 -2626.0579 921491.4634 -143.6686 -2626.0579
ENERGY: 215 18210.5055 19441.9742 5746.5772 178.1492 -332787.3322 21379.5596 0.0000 0.0000 45302.6746 -222527.8919 164.7987 -267830.5665 -222091.0449 164.7987 784.0014 -2554.0368 921491.4634 784.0014 -2554.0368
ENERGY: 216 20973.4717 19522.5060 5756.9571 180.1770 -332560.1060 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 21778.3867 19581.4819 5762.2416 182.5517 -333010.6757 21497.2705 0.0000 0.0000 41983.6750 -222225.0683 152.7251 -264208.7433 -222064.4465 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9157 19540.0890 5761.2415 184.9927 -333856.1147 21546.6561 0.0000 0.0000 44178.6837 -222478.5361 160.7099 -266657.2198 -222068.8155 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
ENERGY: 219 19429.8640 19413.3931 5754.3577 187.2447 -334778.0710 21596.8808 0.0000 0.0000 45751.9299 -222644.4008 166.4329 -268396.3306 -222073.1720 166.4329 -4457.7332 -2810.5237 921491.4634 -4457.7332 -2810.5237
TIMING: 220 CPU: 104.977, 0.47034/step Wall: 104.977, 0.47034/step, 0.036582 hours remaining, 3221.515625 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 21580.9144 19260.1136 5743.1672 189.1021 -335473.8433 21655.3184 0.0000 0.0000 44539.5740 -222505.6536 162.0227 -267045.2276 -222092.6289 162.0227 -5898.3512 -2876.6577 921491.4634 -5898.3512 -2876.6577
ENERGY: 221 24234.7392 19146.8279 5730.1601 190.4777 -335718.7277 21699.4244 0.0000 0.0000 42467.0190 -222250.0793 154.4833 -264717.0984 -222077.7835 154.4833 -6342.7098 -2884.3552 921491.4634 -6342.7098 -2884.3552
ENERGY: 222 23735.1225 19085.7309 5717.7679 191.2894 -335388.9916 21700.3077 0.0000 0.0000 42702.0390 -222256.7343 155.3383 -264958.7733 -222075.6638 155.3383 -5368.7279 -2838.7017 921491.4634 -5368.7279 -2838.7017
ENERGY: 223 20286.4337 19110.8427 5708.3528 191.5579 -334633.3915 21665.5242 0.0000 0.0000 45168.7533 -222501.9270 164.3115 -267670.6802 -222072.2457 164.3115 -3322.8076 -2753.9475 921491.4634 -3322.8076 -2753.9475
ENERGY: 224 17721.9818 19276.3018 5703.4615 191.3517 -333831.1560 21637.4893 0.0000 0.0000 46650.8782 -222649.6916 169.7031 -269300.5698 -222098.2846 169.7031 -1151.0970 -2650.6855 921491.4634 -1151.0970 -2650.6855
ENERGY: 225 18451.5608 19639.7349 5703.5482 190.8347 -333424.4649 21647.4588 0.0000 0.0000 45301.5806 -222489.7468 164.7947 -267791.3274 -222079.9379 164.7947 226.2573 -2563.9720 921491.4634 226.2573 -2563.9720
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ENERGY: 227 21011.1677 20670.4532 5712.3895 189.0769 -334317.7220 21728.2283 0.0000 0.0000 42721.7945 -222284.6119 155.4101 -265006.4064 -222080.2097 155.4101 -104.6490 -2553.6074 921491.4634 -104.6490 -2553.6074
ENERGY: 228 19866.2929 21035.8343 5716.6482 188.0080 -335312.4266 21761.2923 0.0000 0.0000 44242.5385 -222501.8123 160.9422 -266744.3508 -222102.7892 160.9422 -1440.0182 -2625.9673 921491.4634 -1440.0182 -2625.9673
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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 21999.2456 20926.2536 5717.1889 185.9786 -336838.6562 21834.6450 0.0000 0.0000 43751.0552 -222424.2893 159.1543 -266175.3445 -222088.6908 159.1543 -4902.3780 -2766.0557 921491.4634 -4902.3780 -2766.0557
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ENERGY: 232 22812.6532 19886.6600 5707.7133 183.7520 -336072.1015 21820.0135 0.0000 0.0000 43315.5693 -222345.7403 157.5701 -265661.3095 -222098.2756 157.5701 -5301.5936 -2731.4985 921491.4634 -5301.5936 -2731.4985
ENERGY: 233 20035.6404 19318.2041 5703.4910 182.6157 -334889.2831 21760.7376 0.0000 0.0000 45350.0987 -222538.4954 164.9712 -267888.5942 -222089.6823 164.9712 -3899.2116 -2646.7386 921491.4634 -3899.2116 -2646.7386
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ENERGY: 235 19419.0965 18603.4159 5705.8180 179.9133 -332789.1750 21702.6096 0.0000 0.0000 44750.4958 -222427.8259 162.7900 -267178.3217 -222083.1205 162.7900 -820.1736 -2429.4348 921491.4634 -820.1736 -2429.4348
ENERGY: 236 20566.0778 18629.1000 5714.2865 178.3391 -332585.8848 21721.5012 0.0000 0.0000 43477.4013 -222299.1788 158.1588 -265776.5802 -222073.0120 158.1588 -108.6482 -2371.7044 921491.4634 -108.6482 -2371.7044
ENERGY: 237 20196.0058 18940.2030 5726.8243 176.7459 -333068.3187 21749.0156 0.0000 0.0000 43898.3780 -222381.1460 159.6902 -266279.5240 -222063.3606 159.6902 -172.1588 -2373.2012 921491.4634 -172.1588 -2373.2012
ENERGY: 238 19419.4413 19404.0884 5740.6977 175.0128 -333964.3154 21778.9043 0.0000 0.0000 44901.2437 -222544.9271 163.3384 -267446.1708 -222065.9779 163.3384 -987.6013 -2425.5310 921491.4634 -987.6013 -2425.5310
ENERGY: 239 20428.8616 19846.5440 5752.8836 173.1946 -334966.8380 21816.7509 0.0000 0.0000 44416.4634 -222532.1398 161.5749 -266948.6033 -222068.9826 161.5749 -2385.1781 -2499.0796 921491.4634 -2385.1781 -2499.0796
TIMING: 240 CPU: 114.376, 0.469963/step Wall: 114.376, 0.469963/step, 0.0339418 hours remaining, 3221.515625 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 22861.0421 20119.9136 5760.6910 171.4213 -335766.3626 21854.4253 0.0000 0.0000 42641.4776 -222357.3918 155.1180 -264998.8694 -222074.0952 155.1180 -3844.9085 -2568.3896 921491.4634 -3844.9085 -2568.3896
ENERGY: 241 23920.0054 20195.4874 5762.7124 169.9828 -336129.3253 21865.1032 0.0000 0.0000 41957.8935 -222258.1406 152.6313 -264216.0341 -222063.9157 152.6313 -4724.4491 -2616.3453 921491.4634 -4724.4491 -2616.3453
ENERGY: 242 22110.7717 20111.8210 5758.5348 169.0441 -335904.8196 21831.0568 0.0000 0.0000 43526.8719 -222396.7194 158.3388 -265923.5913 -222063.5735 158.3388 -4623.1688 -2633.0913 921491.4634 -4623.1688 -2633.0913
ENERGY: 243 19462.3620 19969.6447 5749.3614 168.8705 -335233.7068 21770.4748 0.0000 0.0000 45537.0689 -222575.9244 165.6513 -268112.9933 -222061.6673 165.6513 -3760.4504 -2614.6992 921491.4634 -3760.4504 -2614.6992
ENERGY: 244 18822.2464 19849.3935 5737.4544 169.6534 -334482.6010 21720.5677 0.0000 0.0000 45629.1662 -222554.1193 165.9864 -268183.2855 -222078.7770 165.9864 -2667.7298 -2573.2149 921491.4634 -2667.7298 -2573.2149
ENERGY: 245 20148.2368 19811.7600 5725.7785 171.4559 -334087.5946 21701.2471 0.0000 0.0000 44168.5247 -222360.5916 160.6730 -266529.1163 -222068.6365 160.6730 -1771.6900 -2533.5454 921491.4634 -1771.6900 -2533.5454
ENERGY: 246 20878.5481 19853.7024 5716.8932 174.1558 -334213.1204 21705.0851 0.0000 0.0000 43600.4181 -222284.3177 158.6063 -265884.7358 -222067.4295 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5287 19979.6438 5712.7400 177.5412 -334802.1840 21719.8455 0.0000 0.0000 44912.1911 -222431.6936 163.3782 -267343.8848 -222068.1393 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4925 20164.4294 5713.8450 181.3144 -335623.1351 21746.4311 0.0000 0.0000 46185.9362 -222595.6865 168.0117 -268781.6227 -222090.3126 168.0117 -1359.1246 -2608.3065 921491.4634 -1359.1246 -2608.3065
ENERGY: 249 20484.3305 20353.6190 5719.1623 185.0800 -336433.0064 21788.9034 0.0000 0.0000 45370.8153 -222531.0958 165.0466 -267901.9111 -222082.9711 165.0466 -2308.0286 -2671.2385 921491.4634 -2308.0286 -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 23155.2057 20422.5253 5726.1009 188.5682 -336907.4407 21832.9290 0.0000 0.0000 43252.1659 -222329.9457 157.3395 -265582.1116 -222084.2878 157.3395 -3365.2095 -2722.3879 921491.4634 -3365.2095 -2722.3879
ENERGY: 251 24002.1399 20302.5993 5731.6573 191.5295 -336816.8445 21849.8674 0.0000 0.0000 42475.2392 -222263.8120 154.5132 -264739.0512 -222084.8989 154.5132 -3958.0339 -2753.0723 921491.4634 -3958.0339 -2753.0723
ENERGY: 252 21994.9042 20013.1596 5733.2541 193.8023 -336093.2675 21826.9296 0.0000 0.0000 43905.3720 -222425.8457 159.7157 -266331.2177 -222091.3306 159.7157 -3843.4682 -2758.0338 921491.4634 -3843.4682 -2758.0338
ENERGY: 253 19499.8638 19667.1120 5729.5496 195.2411 -334977.1806 21784.0537 0.0000 0.0000 45520.0192 -222581.3413 165.5893 -268101.3605 -222082.7206 165.5893 -3300.1273 -2735.8132 921491.4634 -3300.1273 -2735.8132
ENERGY: 254 19073.0881 19348.2294 5720.5008 195.9622 -333839.8798 21752.6525 0.0000 0.0000 45220.9196 -222528.5272 164.5013 -267749.4468 -222080.4687 164.5013 -2707.1337 -2696.1701 921491.4634 -2707.1337 -2696.1701
ENERGY: 255 20324.2311 19109.4101 5707.6062 196.0620 -333099.9234 21746.1516 0.0000 0.0000 43667.4212 -222349.0411 158.8501 -266016.4623 -222078.3976 158.8501 -2282.5424 -2662.7814 921491.4634 -2282.5424 -2662.7814
ENERGY: 256 20899.4410 18950.9578 5693.4518 195.6570 -332975.5972 21757.6848 0.0000 0.0000 43181.1612 -222297.2436 157.0812 -265478.4049 -222071.2738 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
ENERGY: 257 20029.5654 18878.1874 5681.1759 194.7976 -333481.0040 21780.2420 0.0000 0.0000 44488.5469 -222428.4889 161.8371 -266917.0358 -222060.1682 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5867 18882.0667 5673.2911 193.6684 -334373.1546 21817.5078 0.0000 0.0000 45796.2579 -222556.7760 166.5942 -268353.0339 -222062.0606 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
ENERGY: 259 20717.7709 18984.1031 5671.3007 192.3773 -335369.5279 21871.0066 0.0000 0.0000 45431.1555 -222501.8137 165.2661 -267932.9693 -222063.7305 165.2661 -2890.3670 -2780.4961 921491.4634 -2890.3670 -2780.4961
TIMING: 260 CPU: 123.766, 0.469512/step Wall: 123.766, 0.469512/step, 0.0313008 hours remaining, 3221.820312 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 22744.9543 19188.2464 5675.1875 191.0393 -336169.7730 21924.7893 0.0000 0.0000 44083.4306 -222362.1255 160.3634 -266445.5560 -222069.6811 160.3634 -3407.4793 -2810.9878 921491.4634 -3407.4793 -2810.9878
ENERGY: 261 23215.5574 19485.4657 5683.6413 189.7700 -336523.9801 21953.3902 0.0000 0.0000 43676.0233 -222320.1321 158.8814 -265996.1554 -222052.8235 158.8814 -3555.3695 -2822.8648 921491.4634 -3555.3695 -2822.8648
ENERGY: 262 21606.2725 19814.6779 5694.0656 188.7122 -336291.7859 21947.6074 0.0000 0.0000 44601.6345 -222438.8158 162.2485 -267040.4504 -222052.4321 162.2485 -3214.7561 -2810.4637 921491.4634 -3214.7561 -2810.4637
ENERGY: 263 19781.1228 20140.5623 5703.8103 187.9445 -335614.9712 21924.4740 0.0000 0.0000 45349.7771 -222527.2802 164.9700 -267877.0573 -222051.1545 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2259 20436.4305 5710.6950 187.5052 -334855.9510 21907.7772 0.0000 0.0000 44751.4784 -222476.8388 162.7936 -267228.3171 -222069.1982 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
ENERGY: 265 19946.8415 20681.9924 5713.6241 187.4392 -334395.6629 21906.0163 0.0000 0.0000 43607.6374 -222352.1120 158.6326 -265959.7493 -222054.3371 158.6326 -2038.0572 -2683.6034 921491.4634 -2038.0572 -2683.6034
ENERGY: 266 20048.7899 20788.8698 5712.1327 187.6137 -334399.4573 21914.4804 0.0000 0.0000 43399.3796 -222348.1911 157.8750 -265747.5707 -222054.3633 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0905 20691.2676 5707.0583 187.8501 -334831.4851 21930.8374 0.0000 0.0000 44220.2168 -222446.1645 160.8610 -266666.3813 -222055.6584 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9160 20375.7512 5700.1930 187.9286 -335513.7445 21959.1257 0.0000 0.0000 44823.5377 -222504.2923 163.0557 -267327.8300 -222075.9874 163.0557 -2903.2124 -2658.6180 921491.4634 -2903.2124 -2658.6180
ENERGY: 269 21396.7813 19927.1699 5694.0390 187.7639 -336221.0657 21997.2160 0.0000 0.0000 44586.5099 -222431.5857 162.1935 -267018.0956 -222066.1972 162.1935 -3401.4128 -2647.2949 921491.4634 -3401.4128 -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 22620.1933 19450.9165 5690.3173 187.1618 -336650.6771 22028.8070 0.0000 0.0000 44308.0075 -222365.2737 161.1804 -266673.2812 -222067.0433 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
ENERGY: 271 22345.5824 19078.8063 5690.0209 186.1610 -336571.7889 22035.2500 0.0000 0.0000 44829.4472 -222406.5211 163.0772 -267235.9683 -222066.8385 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5585 18896.0660 5692.8269 184.9335 -335921.4610 22015.0579 0.0000 0.0000 45607.7076 -222503.3107 165.9083 -268111.0183 -222081.1569 165.9083 -2551.9684 -2501.8805 921491.4634 -2551.9684 -2501.8805
ENERGY: 273 20123.2136 18932.9079 5697.5118 183.8526 -334925.7009 21985.5295 0.0000 0.0000 45502.7162 -222499.9692 165.5264 -268002.6854 -222069.0456 165.5264 -1837.1976 -2434.6760 921491.4634 -1837.1976 -2434.6760
ENERGY: 274 20074.7416 19121.4862 5701.6806 183.0070 -333931.6255 21965.2975 0.0000 0.0000 44478.5177 -222406.8949 161.8006 -266885.4126 -222066.8025 161.8006 -1366.5213 -2384.6634 921491.4634 -1366.5213 -2384.6634
ENERGY: 275 20005.4317 19374.0680 5703.3424 182.5376 -333318.5602 21960.8298 0.0000 0.0000 43741.9684 -222350.3821 159.1213 -266092.3506 -222065.7689 159.1213 -1269.7931 -2374.8869 921491.4634 -1269.7931 -2374.8869
ENERGY: 276 19401.8502 19594.7509 5701.2547 182.4904 -333292.1280 21971.0408 0.0000 0.0000 44028.5273 -222412.2137 160.1637 -266440.7411 -222072.9392 160.1637 -1580.1300 -2417.6041 921491.4634 -1580.1300 -2417.6041
ENERGY: 277 19149.2972 19724.7161 5695.5210 182.9396 -333864.3453 21997.2386 0.0000 0.0000 44632.8114 -222481.8215 162.3619 -267114.6328 -222061.0985 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4577 19713.7762 5686.9122 183.6585 -334821.1003 22041.3358 0.0000 0.0000 44532.2542 -222463.7058 161.9961 -266995.9601 -222063.4128 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
ENERGY: 279 21984.3649 19593.9433 5677.5176 184.5187 -335888.5801 22096.4198 0.0000 0.0000 43975.0882 -222376.7276 159.9693 -266351.8158 -222065.2020 159.9693 -4044.3213 -2682.8390 921491.4634 -4044.3213 -2682.8390
TIMING: 280 CPU: 133.145, 0.468932/step Wall: 133.145, 0.468932/step, 0.0286569 hours remaining, 3221.820312 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 22859.3231 19458.4369 5670.0026 185.3899 -336752.6636 22145.1353 0.0000 0.0000 44066.7339 -222367.6418 160.3027 -266434.3758 -222073.4246 160.3027 -4286.3894 -2748.0547 921491.4634 -4286.3894 -2748.0547
ENERGY: 281 22172.5960 19445.1185 5667.0588 186.2206 -337154.6806 22172.1191 0.0000 0.0000 45063.2424 -222448.3252 163.9277 -267511.5676 -222064.8518 163.9277 -3881.2952 -2782.5903 921491.4634 -3881.2952 -2782.5903
ENERGY: 282 20943.7899 19615.5380 5669.9796 186.8360 -336942.5036 22176.7653 0.0000 0.0000 45823.3371 -222526.2577 166.6927 -268349.5948 -222063.3315 166.6927 -2992.3272 -2779.3669 921491.4634 -2992.3272 -2779.3669
ENERGY: 283 20432.1060 19966.6615 5678.8137 187.1634 -336251.9202 22171.0647 0.0000 0.0000 45328.8522 -222487.2586 164.8939 -267816.1108 -222060.8459 164.8939 -2008.7737 -2748.2307 921491.4634 -2008.7737 -2748.2307
ENERGY: 284 20506.3998 20401.8821 5692.0830 187.1346 -335412.6298 22166.2909 0.0000 0.0000 44071.4482 -222387.3912 160.3198 -266458.8394 -222061.5538 160.3198 -1267.2791 -2712.3902 921491.4634 -1267.2791 -2712.3902
ENERGY: 285 20203.3287 20789.9627 5707.3565 186.7145 -334827.1962 22167.0165 0.0000 0.0000 43418.2631 -222354.5543 157.9437 -265772.8174 -222053.5965 157.9437 -1010.8437 -2700.0820 921491.4634 -1010.8437 -2700.0820
ENERGY: 286 19396.6309 20966.5619 5721.5031 185.8229 -334658.1144 22176.6862 0.0000 0.0000 43785.6882 -222425.2210 159.2803 -266210.9092 -222054.0580 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1190 20856.7820 5731.9346 184.4714 -334918.1475 22200.2910 0.0000 0.0000 44282.9438 -222485.6057 161.0892 -266768.5495 -222055.7251 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2087 20475.2848 5736.9557 182.7335 -335468.3143 22237.9037 0.0000 0.0000 44116.9904 -222455.2374 160.4855 -266572.2278 -222066.9051 160.4855 -3310.5878 -2790.1553 921491.4634 -3310.5878 -2790.1553
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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 ============== 145.401
LDB: Largest compute 200 load 0.517681 is 1.1% of average load 45.692869
LDB: Average compute 0.064024 is 0.1% of average load 45.692869
LDB: TIME 145.402 LOAD: AVG 45.6929 MAX 46.97 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.02 MB
LDB: TIME 145.403 LOAD: AVG 45.6929 MAX 46.97 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3222.02 MB
LDB: TIME 145.419 LOAD: AVG 45.6929 MAX 46.2034 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3222.02 MB
LDB: ============== END OF LOAD BALANCING =============== 145.42
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 145.422
Info: Initial time: 4 CPUs 0.469436 s/step 5.43329 days/ns 3222.02 MB memory
TIMING: 300 CPU: 142.535, 0.469501/step Wall: 142.535, 0.469501/step, 0.0260834 hours remaining, 3222.019531 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: 151.741, 0.460298/step Wall: 151.741, 0.460298/step, 0.0230149 hours remaining, 3222.019531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 340 CPU: 160.943, 0.460089/step Wall: 160.943, 0.460089/step, 0.0204484 hours remaining, 3222.019531 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: 170.14, 0.459877/step Wall: 170.14, 0.459877/step, 0.0178841 hours remaining, 3222.019531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 377 20646.4608 20251.1592 5706.5522 182.3248 -335763.5794 22794.3770 0.0000 0.0000 43848.2753 -222334.4301 159.5080 -266182.7054 -222041.4011 159.5080 -1819.5857 -2472.4986 921491.4634 -1819.5857 -2472.4986
ENERGY: 378 20473.8101 20495.6593 5711.4639 183.2952 -336584.2270 22821.5833 0.0000 0.0000 44474.7533 -222423.6619 161.7869 -266898.4152 -222044.3966 161.7869 -2972.9872 -2523.3499 921491.4634 -2972.9872 -2523.3499
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TIMING: 380 CPU: 179.33, 0.459496/step Wall: 179.33, 0.459496/step, 0.0153165 hours remaining, 3222.019531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 384 19625.4116 19596.0350 5710.5350 179.0647 -336052.0478 22884.2529 0.0000 0.0000 45539.1829 -222517.5658 165.6590 -268056.7486 -222062.0926 165.6590 -569.2383 -2166.9359 921491.4634 -569.2383 -2166.9359
ENERGY: 385 19327.8182 19356.8908 5707.7752 177.4354 -335210.6393 22871.6138 0.0000 0.0000 45299.7170 -222469.3890 164.7879 -267769.1059 -222051.0993 164.7879 215.3511 -2064.3638 921491.4634 215.3511 -2064.3638
ENERGY: 386 19981.2273 19220.9460 5707.6638 175.9385 -334865.1810 22880.7952 0.0000 0.0000 44519.8586 -222378.7516 161.9510 -266898.6102 -222051.0437 161.9510 122.6667 -2011.2429 921491.4634 122.6667 -2011.2429
ENERGY: 387 20367.2861 19202.4840 5710.9355 174.6759 -335109.8718 22905.2738 0.0000 0.0000 44377.1815 -222372.0349 161.4320 -266749.2165 -222053.0050 161.4320 -738.9587 -2019.1690 921491.4634 -738.9587 -2019.1690
ENERGY: 388 20282.3988 19280.0164 5717.2935 173.7038 -335824.1510 22938.2894 0.0000 0.0000 44972.7760 -222459.6731 163.5986 -267432.4490 -222067.4817 163.5986 -2063.8555 -2076.2823 921491.4634 -2063.8555 -2076.2823
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 397 19906.7785 20200.7710 5721.4919 176.2273 -336102.8172 22990.0366 0.0000 0.0000 44712.8678 -222394.6441 162.6531 -267107.5119 -222042.6599 162.6531 -376.0867 -2327.2105 921491.4634 -376.0867 -2327.2105
ENERGY: 398 19692.8117 20133.3590 5716.9814 176.0456 -336812.3374 23014.0576 0.0000 0.0000 45592.7324 -222486.3496 165.8538 -268079.0820 -222045.7222 165.8538 -1710.2240 -2443.6968 921491.4634 -1710.2240 -2443.6968
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LDB: ============= START OF LOAD BALANCING ============== 191.413
LDB: Largest compute 230 load 0.523781 is 1.1% of average load 45.572127
LDB: Average compute 0.063841 is 0.1% of average load 45.572127
LDB: TIME 191.415 LOAD: AVG 45.5721 MAX 45.991 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.02 MB
LDB: TIME 191.415 LOAD: AVG 45.5721 MAX 45.991 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3222.02 MB
LDB: TIME 191.415 LOAD: AVG 45.5721 MAX 45.991 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3222.02 MB
LDB: ============== END OF LOAD BALANCING =============== 191.416
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 191.417
Info: Benchmark time: 4 CPUs 0.459854 s/step 5.32238 days/ns 3222.02 MB memory
TIMING: 400 CPU: 188.524, 0.459712/step Wall: 188.524, 0.459712/step, 0.0127698 hours remaining, 3222.019531 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: 403 20784.9697 19778.4825 5715.7218 174.2695 -337239.9775 23077.8393 0.0000 0.0000 45225.5963 -222483.0983 164.5183 -267708.6947 -222046.6853 164.5183 -3613.5982 -2605.7431 921491.4634 -3613.5982 -2605.7431
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ENERGY: 409 20350.1187 19376.4608 5688.4775 191.1593 -336896.6836 23057.9913 0.0000 0.0000 45733.6058 -222498.8702 166.3663 -268232.4761 -222051.6703 166.3663 -2367.4920 -2346.9327 921491.4634 -2367.4920 -2346.9327
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: 416 19942.3169 20661.9893 5710.0857 195.6953 -336157.5850 23063.1707 0.0000 0.0000 44200.2851 -222384.0420 160.7885 -266584.3270 -222052.9643 160.7885 -282.7616 -2224.6898 921491.4634 -282.7616 -2224.6898
ENERGY: 417 20031.3750 20631.3206 5709.0494 192.4696 -336373.1062 23072.1090 0.0000 0.0000 44338.4617 -222398.3208 161.2911 -266736.7825 -222044.6992 161.2911 -112.4555 -2227.1701 921491.4634 -112.4555 -2227.1701
ENERGY: 418 20154.6649 20457.0906 5705.5848 188.6536 -336970.7853 23098.6718 0.0000 0.0000 44915.1419 -222450.9777 163.3889 -267366.1196 -222046.7091 163.3889 -671.8547 -2269.9923 921491.4634 -671.8547 -2269.9923
ENERGY: 419 20790.7630 20185.5520 5700.4811 184.6054 -337717.8742 23139.8015 0.0000 0.0000 45250.3099 -222466.3612 164.6082 -267716.6710 -222049.5949 164.6082 -1783.9422 -2336.6466 921491.4634 -1783.9422 -2336.6466
TIMING: 420 CPU: 197.687, 0.458103/step Wall: 197.687, 0.458103/step, 0.0101801 hours remaining, 3222.019531 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: 428 20140.4228 19760.4173 5710.4629 168.5259 -336199.9841 23087.7668 0.0000 0.0000 44884.2588 -222448.1296 163.2766 -267332.3884 -222058.0549 163.2766 -935.5734 -2206.9586 921491.4634 -935.5734 -2206.9586
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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 22013.9869 20024.3739 5712.1700 168.1897 -338096.9190 23149.4484 0.0000 0.0000 44626.3095 -222402.4406 162.3382 -267028.7501 -222047.3915 162.3382 -2472.2457 -2268.0467 921491.4634 -2472.2457 -2268.0467
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ENERGY: 432 21768.3703 20188.6723 5710.3547 168.1086 -338651.2088 23176.0837 0.0000 0.0000 45177.9906 -222461.6286 164.3451 -267639.6192 -222065.9059 164.3451 -3350.2744 -2296.1500 921491.4634 -3350.2744 -2296.1500
ENERGY: 433 21200.9073 20275.9662 5710.3763 168.4633 -338164.0624 23162.2902 0.0000 0.0000 45192.9279 -222453.1312 164.3995 -267646.0591 -222052.5983 164.3995 -3187.3736 -2272.1278 921491.4634 -3187.3736 -2272.1278
ENERGY: 434 20730.3413 20338.1497 5711.6061 169.3247 -337394.2690 23140.7727 0.0000 0.0000 44883.0993 -222420.9752 163.2724 -267304.0746 -222051.1463 163.2724 -2694.3111 -2227.7887 921491.4634 -2694.3111 -2227.7887
ENERGY: 435 20235.2201 20362.4013 5714.0003 170.8455 -336680.6541 23123.4089 0.0000 0.0000 44675.9835 -222398.7945 162.5189 -267074.7781 -222049.5890 162.5189 -2061.3586 -2179.8953 921491.4634 -2061.3586 -2179.8953
ENERGY: 436 19670.9243 20349.9979 5717.2346 173.0864 -336303.8796 23119.9070 0.0000 0.0000 44847.0979 -222425.6316 163.1414 -267272.7295 -222059.6958 163.1414 -1520.6599 -2145.1617 921491.4634 -1520.6599 -2145.1617
ENERGY: 437 19434.5518 20329.5090 5720.9894 175.9827 -336411.9769 23136.3860 0.0000 0.0000 45159.2682 -222455.2899 164.2770 -267614.5581 -222050.7501 164.2770 -1319.1170 -2134.4849 921491.4634 -1319.1170 -2134.4849
ENERGY: 438 19935.1533 20278.6094 5724.6884 179.3848 -336899.4561 23173.5512 0.0000 0.0000 45148.1318 -222459.9372 164.2365 -267608.0690 -222051.5667 164.2365 -1493.0941 -2145.0881 921491.4634 -1493.0941 -2145.0881
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TIMING: 440 CPU: 206.849, 0.45811/step Wall: 206.849, 0.45811/step, 0.00763517 hours remaining, 3222.019531 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 22071.5681 20036.2370 5729.7527 186.7201 -338123.1791 23276.2479 0.0000 0.0000 44417.5457 -222405.1075 161.5788 -266822.6533 -222059.4769 161.5788 -2408.4611 -2197.9671 921491.4634 -2408.4611 -2197.9671
ENERGY: 441 22355.5484 19860.0408 5730.3488 190.1145 -338361.1702 23313.2039 0.0000 0.0000 44502.6962 -222409.2175 161.8886 -266911.9137 -222050.0856 161.8886 -2716.1026 -2221.5313 921491.4634 -2716.1026 -2221.5313
ENERGY: 442 21853.6118 19664.5349 5729.4855 192.9411 -338090.1521 23327.1562 0.0000 0.0000 44880.6316 -222441.7910 163.2634 -267322.4226 -222049.7751 163.2634 -2710.5576 -2229.0696 921491.4634 -2710.5576 -2229.0696
ENERGY: 443 21064.3317 19487.0723 5727.6165 194.9329 -337369.3139 23320.0152 0.0000 0.0000 45118.1103 -222457.2350 164.1273 -267575.3453 -222048.5992 164.1273 -2448.1649 -2220.3531 921491.4634 -2448.1649 -2220.3531
ENERGY: 444 20449.3364 19357.2691 5725.4095 195.8735 -336464.1916 23301.5271 0.0000 0.0000 44987.7174 -222447.0587 163.6530 -267434.7761 -222057.9797 163.6530 -2090.2102 -2206.4400 921491.4634 -2090.2102 -2206.4400
ENERGY: 445 20125.5608 19307.2518 5723.6513 195.6942 -335759.3909 23283.8133 0.0000 0.0000 44708.7153 -222414.7041 162.6380 -267123.4194 -222046.5427 162.6380 -1846.9629 -2201.6927 921491.4634 -1846.9629 -2201.6927
ENERGY: 446 19947.6806 19324.9006 5722.5430 194.3235 -335494.5704 23276.0446 0.0000 0.0000 44620.2943 -222408.7838 162.3164 -267029.0781 -222046.1619 162.3164 -1800.7520 -2216.7295 921491.4634 -1800.7520 -2216.7295
ENERGY: 447 19914.2850 19416.0210 5722.2107 191.8641 -335769.4395 23282.7453 0.0000 0.0000 44816.5085 -222425.8049 163.0301 -267242.3133 -222046.8342 163.0301 -1993.3114 -2253.0604 921491.4634 -1993.3114 -2253.0604
ENERGY: 448 20187.5923 19583.6799 5722.5765 188.5554 -336503.1795 23303.8899 0.0000 0.0000 45065.6672 -222451.2184 163.9365 -267516.8856 -222059.3480 163.9365 -2372.1879 -2303.7899 921491.4634 -2372.1879 -2303.7899
ENERGY: 449 20877.4058 19832.6984 5723.5713 184.8596 -337500.9066 23334.5918 0.0000 0.0000 45101.1678 -222446.6119 164.0657 -267547.7796 -222047.7099 164.0657 -2827.1080 -2356.1408 921491.4634 -2827.1080 -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 21754.4850 20108.1297 5724.4776 181.0898 -338419.3243 23364.6238 0.0000 0.0000 44854.3098 -222432.2086 163.1677 -267286.5184 -222048.7860 163.1677 -3116.6755 -2394.3897 921491.4634 -3116.6755 -2394.3897
ENERGY: 451 22355.5899 20357.7252 5724.7144 177.6517 -338952.0902 23381.8002 0.0000 0.0000 44542.6988 -222411.9100 162.0341 -266954.6088 -222048.8245 162.0341 -3074.2533 -2405.7798 921491.4634 -3074.2533 -2405.7798
ENERGY: 452 22246.2015 20536.0131 5723.8953 174.8859 -338927.1535 23378.0939 0.0000 0.0000 44452.9196 -222415.1442 161.7075 -266868.0637 -222059.6373 161.7075 -2659.9607 -2384.7570 921491.4634 -2659.9607 -2384.7570
ENERGY: 453 21399.8728 20641.1308 5722.2879 173.1350 -338392.7932 23354.5903 0.0000 0.0000 44683.7032 -222418.0732 162.5470 -267101.7765 -222043.5374 162.5470 -2048.3341 -2342.4670 921491.4634 -2048.3341 -2342.4670
ENERGY: 454 20248.3382 20654.1371 5720.2218 172.3637 -337567.1414 23320.6897 0.0000 0.0000 45008.1465 -222443.2444 163.7273 -267451.3909 -222041.8394 163.7273 -1453.4582 -2293.1452 921491.4634 -1453.4582 -2293.1452
ENERGY: 455 19486.7907 20584.7118 5718.4844 172.5169 -336790.6453 23290.4019 0.0000 0.0000 45086.5790 -222451.1606 164.0126 -267537.7395 -222040.8572 164.0126 -1151.8827 -2255.8573 921491.4634 -1151.8827 -2255.8573
ENERGY: 456 19493.3722 20440.6798 5717.7556 173.4249 -336350.1073 23274.9627 0.0000 0.0000 44811.4726 -222438.4395 163.0118 -267249.9121 -222055.3485 163.0118 -1305.5006 -2245.5824 921491.4634 -1305.5006 -2245.5824
ENERGY: 457 20047.4931 20251.9432 5718.5580 174.9241 -336395.8162 23277.8271 0.0000 0.0000 44521.8705 -222403.2002 161.9583 -266925.0707 -222049.4132 161.9583 -1906.4166 -2263.5014 921491.4634 -1906.4166 -2263.5014
ENERGY: 458 20585.8436 20019.2721 5720.7061 176.6081 -336835.0956 23294.7169 0.0000 0.0000 44632.7889 -222405.1599 162.3618 -267037.9488 -222051.2822 162.3618 -2684.6988 -2301.0428 921491.4634 -2684.6988 -2301.0428
ENERGY: 459 20903.4944 19784.9688 5724.0022 178.1985 -337468.1641 23318.6980 0.0000 0.0000 45113.9370 -222444.8652 164.1121 -267558.8022 -222053.1411 164.1121 -3350.5832 -2341.5797 921491.4634 -3350.5832 -2341.5797
TIMING: 460 CPU: 216.006, 0.457862/step Wall: 216.006, 0.457862/step, 0.00508735 hours remaining, 3222.019531 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 21262.6136 19597.9063 5728.0972 179.4910 -338014.3765 23341.7998 0.0000 0.0000 45423.8569 -222480.6116 165.2395 -267904.4686 -222064.6836 165.2395 -3669.8201 -2365.2413 921491.4634 -3669.8201 -2365.2413
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ENERGY: 462 22264.2258 19487.8111 5736.4823 180.9531 -337988.7170 23351.1083 0.0000 0.0000 44559.9290 -222408.2074 162.0968 -266968.1364 -222056.7214 162.0968 -2954.8201 -2323.4252 921491.4634 -2954.8201 -2323.4252
ENERGY: 463 21821.1795 19513.9018 5738.9361 181.1160 -337284.1029 23326.9475 0.0000 0.0000 44313.4568 -222388.5652 161.2002 -266702.0220 -222054.6242 161.2002 -2012.4426 -2264.0779 921491.4634 -2012.4426 -2264.0779
ENERGY: 464 20535.2462 19559.9275 5739.2518 181.0096 -336389.3839 23291.1939 0.0000 0.0000 44654.0266 -222428.7283 162.4391 -267082.7548 -222058.5727 162.4391 -1050.9228 -2205.5268 921491.4634 -1050.9228 -2205.5268
ENERGY: 465 19322.7827 19631.8856 5737.2899 180.7155 -335701.1531 23259.7389 0.0000 0.0000 45094.5688 -222474.1718 164.0416 -267568.7406 -222052.9386 164.0416 -512.3347 -2174.4008 921491.4634 -512.3347 -2174.4008
ENERGY: 466 19088.4511 19708.3581 5733.2107 180.2808 -335443.7721 23245.0602 0.0000 0.0000 45020.7907 -222467.6204 163.7733 -267488.4112 -222052.9783 163.7733 -630.3315 -2182.6710 921491.4634 -630.3315 -2182.6710
ENERGY: 467 19841.8071 19783.1740 5727.6704 179.7757 -335721.0944 23249.4528 0.0000 0.0000 44523.6664 -222415.5480 161.9649 -266939.2144 -222054.3493 161.9649 -1393.6029 -2232.5923 921491.4634 -1393.6029 -2232.5923
ENERGY: 468 20761.8482 19845.4939 5721.5090 179.2779 -336451.5658 23265.8124 0.0000 0.0000 44291.6584 -222385.9662 161.1209 -266677.6246 -222056.3590 161.1209 -2508.6713 -2314.1340 921491.4634 -2508.6713 -2314.1340
ENERGY: 469 21236.3013 19910.2016 5715.6824 178.8504 -337458.3192 23284.3960 0.0000 0.0000 44720.3202 -222412.5672 162.6802 -267132.8874 -222046.0749 162.6802 -3596.7405 -2405.7972 921491.4634 -3596.7405 -2405.7972
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1728 19972.8929 5710.9491 178.5947 -338383.2497 23297.0671 0.0000 0.0000 45346.4575 -222466.1156 164.9579 -267812.5731 -222047.6088 164.9579 -4259.6994 -2477.6831 921491.4634 -4259.6994 -2477.6831
ENERGY: 471 21732.8677 20054.6829 5707.9627 178.5890 -338913.2441 23297.5083 0.0000 0.0000 45471.3366 -222470.2970 165.4122 -267941.6336 -222047.5358 165.4122 -4290.5683 -2504.3175 921491.4634 -4290.5683 -2504.3175
ENERGY: 472 22081.2363 20161.5546 5707.0091 178.9047 -338870.6760 23279.4490 0.0000 0.0000 45028.5294 -222433.9930 163.8014 -267462.5224 -222059.5059 163.8014 -3659.7361 -2479.9184 921491.4634 -3659.7361 -2479.9184
ENERGY: 473 21866.1365 20289.3420 5707.9843 179.6165 -338307.7185 23240.7362 0.0000 0.0000 44634.5171 -222389.3860 162.3681 -267023.9031 -222043.8540 162.3681 -2556.3617 -2408.1658 921491.4634 -2556.3617 -2408.1658
ENERGY: 474 20842.9705 20372.0980 5710.2161 180.7466 -337438.4548 23189.2347 0.0000 0.0000 44733.2306 -222409.9583 162.7272 -267143.1889 -222041.2620 162.7272 -1295.5526 -2316.2728 921491.4634 -1295.5526 -2316.2728
ENERGY: 475 19674.2081 20371.7668 5712.9876 182.2512 -336604.2310 23142.3817 0.0000 0.0000 45070.2139 -222450.4217 163.9531 -267520.6357 -222039.4531 163.9531 -344.6451 -2232.2126 921491.4634 -344.6451 -2232.2126
ENERGY: 476 19235.7863 20282.0270 5715.7683 184.0125 -336100.0901 23115.8465 0.0000 0.0000 45106.0634 -222460.5862 164.0835 -267566.6495 -222053.6138 164.0835 -92.4051 -2183.0653 921491.4634 -92.4051 -2183.0653
ENERGY: 477 19704.7251 20145.9810 5718.4976 185.9230 -336101.8789 23114.2938 0.0000 0.0000 44812.3208 -222420.1375 163.0149 -267232.4583 -222044.8412 163.0149 -667.4946 -2171.8229 921491.4634 -667.4946 -2171.8229
ENERGY: 478 20493.4777 19974.7636 5721.0254 187.7262 -336537.4036 23131.2458 0.0000 0.0000 44627.0334 -222402.1315 162.3409 -267029.1649 -222047.4107 162.3409 -1807.1604 -2198.7957 921491.4634 -1807.1604 -2198.7957
ENERGY: 479 21125.3056 19793.3956 5723.3295 189.2099 -337215.5839 23156.6770 0.0000 0.0000 44802.1580 -222425.5083 162.9779 -267227.6664 -222050.5460 162.9779 -3089.8515 -2246.7918 921491.4634 -3089.8515 -2246.7918
TIMING: 480 CPU: 225.155, 0.457458/step Wall: 225.155, 0.457458/step, 0.00254143 hours remaining, 3222.019531 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 21624.0325 19623.1966 5725.3111 190.1901 -337854.6789 23181.5116 0.0000 0.0000 45051.6818 -222458.7553 163.8856 -267510.4371 -222064.6212 163.8856 -4077.7327 -2291.4894 921491.4634 -4077.7327 -2291.4894
ENERGY: 481 22092.4854 19510.0435 5727.0953 190.6351 -338199.2485 23196.7956 0.0000 0.0000 45041.3371 -222440.8566 163.8480 -267482.1936 -222052.5268 163.8480 -4466.2396 -2305.6735 921491.4634 -4466.2396 -2305.6735
ENERGY: 482 22186.3470 19466.6796 5728.4964 190.3598 -338044.5424 23192.7471 0.0000 0.0000 44865.8522 -222414.0603 163.2096 -267279.9125 -222051.4115 163.2096 -4059.3101 -2278.0618 921491.4634 -4059.3101 -2278.0618
ENERGY: 483 21553.1416 19511.5746 5729.5660 189.3227 -337426.2192 23165.8737 0.0000 0.0000 44861.8973 -222414.8432 163.1953 -267276.7406 -222048.7675 163.1953 -2964.1726 -2216.4119 921491.4634 -2964.1726 -2216.4119
ENERGY: 484 20460.8927 19631.1939 5730.2465 187.5455 -336590.8888 23126.1348 0.0000 0.0000 45003.6037 -222451.2717 163.7107 -267454.8754 -222059.8741 163.7107 -1565.2426 -2143.1850 921491.4634 -1565.2426 -2143.1850
ENERGY: 485 19688.7722 19800.2990 5730.5256 185.2458 -335902.5868 23092.8467 0.0000 0.0000 44955.5730 -222449.3246 163.5360 -267404.8976 -222045.9606 163.5360 -422.1571 -2086.8736 921491.4634 -422.1571 -2086.8736
ENERGY: 486 19602.5429 19954.8173 5729.7198 182.4662 -335612.3568 23080.3804 0.0000 0.0000 44645.9121 -222416.5181 162.4096 -267062.4303 -222044.6760 162.4096 87.3179 -2070.0983 921491.4634 87.3179 -2070.0983
ENERGY: 487 19881.0927 20072.0209 5727.4348 179.4360 -335846.4480 23091.0540 0.0000 0.0000 44503.3498 -222392.0599 161.8910 -266895.4097 -222045.2407 161.8910 -192.2347 -2106.8841 921491.4634 -192.2347 -2106.8841
ENERGY: 488 20125.2098 20156.1357 5723.5441 176.4338 -336552.5449 23118.8613 0.0000 0.0000 44827.0562 -222425.3041 163.0685 -267252.3603 -222057.1938 163.0685 -1145.7533 -2194.6680 921491.4634 -1145.7533 -2194.6680
ENERGY: 489 20526.8869 20236.4604 5718.5749 173.8639 -337540.4651 23156.7307 0.0000 0.0000 45266.1010 -222461.8473 164.6656 -267727.9483 -222045.6086 164.6656 -2511.2403 -2316.7066 921491.4634 -2511.2403 -2316.7066
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7487 20292.9017 5712.8912 171.8438 -338458.1357 23196.4875 0.0000 0.0000 45213.5634 -222459.6994 164.4745 -267673.2628 -222048.2208 164.4745 -3823.4037 -2437.4154 921491.4634 -3823.4037 -2437.4154
ENERGY: 491 22430.4640 20312.1356 5707.3795 170.5404 -338984.5791 23226.0935 0.0000 0.0000 44733.0092 -222404.9568 162.7264 -267137.9661 -222049.4638 162.7264 -4629.6933 -2524.6214 921491.4634 -4629.6933 -2524.6214
ENERGY: 492 22612.9549 20289.6807 5702.9944 170.0207 -338937.5815 23232.7204 0.0000 0.0000 44542.1953 -222387.0150 162.0323 -266929.2103 -222060.3860 162.0323 -4606.8524 -2557.4729 921491.4634 -4606.8524 -2557.4729
ENERGY: 493 21558.2189 20260.7372 5700.7779 170.3200 -338358.0634 23214.0536 0.0000 0.0000 45033.8232 -222420.1326 163.8207 -267453.9558 -222046.5900 163.8207 -3796.3820 -2540.0996 921491.4634 -3796.3820 -2540.0996
ENERGY: 494 20068.3367 20225.0260 5700.9806 171.2193 -337454.3838 23183.0795 0.0000 0.0000 45622.2479 -222483.4939 165.9612 -268105.7418 -222044.0867 165.9612 -2500.8994 -2482.1068 921491.4634 -2500.8994 -2482.1068
ENERGY: 495 19383.2464 20186.8301 5703.5926 172.5416 -336566.9890 23159.4625 0.0000 0.0000 45484.1233 -222477.1925 165.4587 -267961.3158 -222041.5563 165.4587 -1249.6839 -2407.3055 921491.4634 -1249.6839 -2407.3055
ENERGY: 496 19722.4836 20130.6474 5708.0350 174.0933 -335998.7156 23154.2636 0.0000 0.0000 44699.5269 -222409.6657 162.6046 -267109.1926 -222049.0667 162.6046 -478.8997 -2343.4749 921491.4634 -478.8997 -2343.4749
ENERGY: 497 20212.6670 20059.9179 5713.4613 175.7242 -335952.5041 23166.3546 0.0000 0.0000 44261.0285 -222363.3507 161.0095 -266624.3792 -222042.7497 161.0095 -421.0231 -2316.7926 921491.4634 -421.0231 -2316.7926
ENERGY: 498 20182.0164 19957.1220 5718.5597 177.2604 -336366.4931 23189.3586 0.0000 0.0000 44728.2530 -222413.9230 162.7091 -267142.1761 -222044.5217 162.7091 -993.4676 -2331.6470 921491.4634 -993.4676 -2331.6470
ENERGY: 499 20158.0674 19847.7314 5722.4090 178.6361 -337058.4821 23219.2405 0.0000 0.0000 45439.2641 -222493.1336 165.2956 -267932.3977 -222047.2059 165.2956 -2020.8683 -2376.3388 921491.4634 -2020.8683 -2376.3388
Info: Benchmark time: 4 CPUs 0.457077 s/step 5.29024 days/ns 3222.02 MB memory
TIMING: 500 CPU: 234.232, 0.453857/step Wall: 234.232, 0.453857/step, 0 hours remaining, 3222.019531 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 20974.8932 19756.6589 5724.4523 179.8271 -337741.4193 23251.1010 0.0000 0.0000 45359.0774 -222495.4092 165.0039 -267854.4867 -222061.0910 165.0039 -3197.5165 -2425.4141 921491.4634 -3197.5165 -2425.4141
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3227.469 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3227.469 MB of memory in use
====================================================
WallClock: 238.011047 CPUTime: 238.011047 Memory: 3227.468750 MB
[Partition 0][Node 0] End of program
Application 287065 resources: utime ~939s, stime ~14s, Rss ~126944, inblocks ~66494, outblocks ~71264
[SSH] exit-status: 0
[NAMD-Run] $ /bin/sh -xe /tmp/hudson280823038294547979.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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