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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 ============== 51.0266
LDB: Largest compute 200 load 0.428213 is 1.2% of average load 36.839617
LDB: Average compute 0.051624 is 0.1% of average load 36.839617
LDB: Partitioning computes with target load 3.683962
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055928
LDB: ============== END OF LOAD BALANCING =============== 51.0287
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 51.0296
Info: Initial time: 4 CPUs 0.474767 s/step 5.49499 days/ns 3219.25 MB memory
TIMING: 100 CPU: 48.4511, 0.473817/step Wall: 48.4511, 0.473817/step, 0.0526464 hours remaining, 3219.246094 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 ============== 60.4864
LDB: ============== END OF LOAD BALANCING =============== 60.4864
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 60.4869
TIMING: 120 CPU: 57.9061, 0.472753/step Wall: 57.9061, 0.472753/step, 0.0499017 hours remaining, 3219.386719 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 21553.6087 18898.7762 5736.4508 185.0194 -334776.0138 21118.0423 0.0000 0.0000 44811.1497 -222472.9667 163.0106 -267284.1164 -222216.5364 163.0106 -5536.0556 -2842.3154 921491.4634 -5536.0556 -2842.3154
ENERGY: 131 21530.9956 19804.6628 5745.0872 187.0957 -335083.2645 21105.7069 0.0000 0.0000 44221.5103 -222488.2059 160.8657 -266709.7162 -222215.1805 160.8657 -5164.7864 -2872.9597 921491.4634 -5164.7864 -2872.9597
ENERGY: 132 21696.5184 20951.9797 5753.4447 189.2233 -334841.7368 21081.3851 0.0000 0.0000 42732.1266 -222437.0590 155.4477 -265169.1856 -222222.8146 155.4477 -4015.6411 -2856.5553 921491.4634 -4015.6411 -2856.5553
ENERGY: 133 21569.7011 21939.4305 5759.4053 191.1377 -334187.7138 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: 136 18381.4538 21453.0791 5750.0867 193.4037 -332655.7486 21006.3295 0.0000 0.0000 43348.3541 -222523.0417 157.6894 -265871.3958 -222211.0693 157.6894 198.1851 -2776.3543 921491.4634 198.1851 -2776.3543
ENERGY: 137 19975.5715 20347.8312 5740.3098 193.2572 -332832.5916 21040.1067 0.0000 0.0000 43092.4470 -222443.0682 156.7585 -265535.5152 -222209.8937 156.7585 -927.2502 -2841.0685 921491.4634 -927.2502 -2841.0685
ENERGY: 138 21874.8525 19195.4801 5730.8549 192.8766 -333203.4341 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8377 -222213.1814 155.6399 -2704.7054 -2927.3525 921491.4634 -2704.7054 -2927.3525
ENERGY: 139 22116.0296 18330.1124 5724.2505 192.4679 -333575.3361 21115.6333 0.0000 0.0000 43705.6789 -222391.1635 158.9892 -266096.8424 -222217.3488 158.9892 -4443.4108 -3015.1528 921491.4634 -4443.4108 -3015.1528
TIMING: 140 CPU: 67.3549, 0.472438/step Wall: 67.3549, 0.472438/step, 0.0472438 hours remaining, 3219.683594 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 140 20992.5977 17997.1578 5722.1741 192.2140 -333726.9443 21127.4061 0.0000 0.0000 45144.2514 -222551.1434 164.2224 -267695.3948 -222224.0363 164.2224 -5617.7628 -3080.3639 921491.4634 -5617.7628 -3080.3639
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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 19956.3835 5767.3089 192.0924 -334899.3755 20845.5771 0.0000 0.0000 44606.5897 -222515.5245 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: 76.7901, 0.471761/step Wall: 76.7901, 0.471761/step, 0.0445552 hours remaining, 3219.957031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 162 22512.8125 18508.1494 5697.2826 183.0024 -333202.6499 20887.8857 0.0000 0.0000 43070.6067 -222342.9105 156.6790 -265413.5172 -222161.4907 156.6790 -5004.1554 -2859.8870 921491.4634 -5004.1554 -2859.8870
ENERGY: 163 21937.9852 18346.8658 5696.1509 188.4544 -332368.8226 20884.6196 0.0000 0.0000 43005.6962 -222309.0506 156.4429 -265314.7467 -222160.7802 156.4429 -4776.8220 -2868.7270 921491.4634 -4776.8220 -2868.7270
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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 19195.1037 18891.7629 5743.5896 160.0071 -332124.2129 20943.2096 0.0000 0.0000 44722.5121 -222468.0279 162.6882 -267190.5400 -222127.3371 162.6882 -2658.3219 -2727.5044 921491.4634 -2658.3219 -2727.5044
ENERGY: 177 21863.3195 18664.1736 5738.9484 156.2659 -332371.2414 20981.6519 0.0000 0.0000 42714.2625 -222252.6197 155.3827 -264966.8822 -222125.5138 155.3827 -2870.6845 -2681.8089 921491.4634 -2870.6845 -2681.8089
ENERGY: 178 21917.7900 18733.9560 5737.6245 154.5770 -332975.2979 21015.2133 0.0000 0.0000 43101.1545 -222314.9826 156.7902 -265416.1371 -222126.1323 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 86.2146, 0.471222/step Wall: 86.2146, 0.471222/step, 0.0418864 hours remaining, 3219.957031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 183 22149.3487 19677.1535 5722.7616 169.5349 -332921.8737 21084.4912 0.0000 0.0000 41834.8234 -222283.7605 152.1836 -264118.5840 -222131.2588 152.1836 -1990.8046 -2626.5157 921491.4634 -1990.8046 -2626.5157
ENERGY: 184 18376.8755 19424.9916 5710.5469 174.1844 -332181.9082 21042.4479 0.0000 0.0000 44880.5528 -222572.3091 163.2631 -267452.8619 -222144.6142 163.2631 -1576.6175 -2645.2274 921491.4634 -1576.6175 -2645.2274
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ENERGY: 186 19266.0405 19234.9571 5686.4352 181.9571 -332240.0938 21043.7460 0.0000 0.0000 44391.5887 -222435.3692 161.4844 -266826.9579 -222129.2888 161.4844 -2596.4731 -2731.4263 921491.4634 -2596.4731 -2731.4263
ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1128 21076.9265 0.0000 0.0000 42449.0056 -222222.0801 154.4178 -264671.0858 -222130.9080 154.4178 -3641.8535 -2802.0867 921491.4634 -3641.8535 -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: 198 21224.0061 18800.3006 5711.3574 186.3640 -333385.5001 21161.1534 0.0000 0.0000 43911.2865 -222391.0321 159.7372 -266302.3186 -222090.4393 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 98.2211
LDB: Largest compute 200 load 0.423497 is 1.2% of average load 36.647113
LDB: Average compute 0.051352 is 0.1% of average load 36.647113
LDB: TIME 98.2231 LOAD: AVG 36.6471 MAX 37.7342 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3220.34 MB
LDB: TIME 98.2252 LOAD: AVG 36.6471 MAX 37.555 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3220.34 MB
LDB: ============== END OF LOAD BALANCING =============== 98.2271
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 98.2302
Info: Initial time: 4 CPUs 0.471881 s/step 5.46159 days/ns 3221.2 MB memory
TIMING: 200 CPU: 95.6491, 0.471726/step Wall: 95.6491, 0.471726/step, 0.0393105 hours remaining, 3221.199219 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 21073.6837 18595.6350 5711.8747 190.0258 -334670.2811 21209.9248 0.0000 0.0000 45319.1602 -222569.9770 164.8586 -267889.1372 -222114.5243 164.8586 -5241.8526 -2703.6812 921491.4634 -5241.8526 -2703.6812
ENERGY: 201 23380.1030 18674.3334 5716.2802 191.4189 -334751.7131 21239.1341 0.0000 0.0000 43222.4696 -222327.9740 157.2315 -265550.4436 -222100.1076 157.2315 -4546.2005 -2661.1900 921491.4634 -4546.2005 -2661.1900
ENERGY: 202 23622.8117 18850.8451 5722.5980 192.1474 -334305.3006 21243.2752 0.0000 0.0000 42432.5588 -222241.0644 154.3580 -264673.6232 -222096.8288 154.3580 -3005.0519 -2588.0013 921491.4634 -3005.0519 -2588.0013
ENERGY: 203 20743.8945 19130.0391 5729.2400 192.0764 -333501.9371 21215.8254 0.0000 0.0000 44059.6986 -222431.1631 160.2771 -266490.8617 -222093.6424 160.2771 -1046.8257 -2512.4434 921491.4634 -1046.8257 -2512.4434
ENERGY: 204 17862.6123 19486.9557 5734.1463 191.2124 -332722.2200 21188.8403 0.0000 0.0000 45629.4719 -222628.9810 165.9875 -268258.4529 -222116.7002 165.9875 452.9933 -2462.2929 921491.4634 452.9933 -2462.2929
ENERGY: 205 18189.0789 19868.9414 5735.7153 189.6741 -332398.2550 21197.9186 0.0000 0.0000 44690.7149 -222526.2118 162.5725 -267216.9266 -222099.8061 162.5725 731.8536 -2447.6353 921491.4634 731.8536 -2447.6353
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ENERGY: 208 20293.2703 20371.8902 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 -2719.7951 921491.4634 -3669.0641 -2719.7951
ENERGY: 209 19428.8171 20325.0057 5710.3389 180.5135 -335910.2412 21349.5045 0.0000 0.0000 46273.6801 -222642.3816 168.3309 -268916.0617 -222106.7901 168.3309 -5197.7274 -2836.6305 921491.4634 -5197.7274 -2836.6305
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1735 20194.2567 5705.3139 178.4614 -336615.7768 21385.1096 0.0000 0.0000 45251.4335 -222516.0282 164.6123 -267767.4617 -222108.2016 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1929 19985.8631 5704.9373 176.9105 -336667.8928 21415.1477 0.0000 0.0000 43031.7285 -222254.1129 156.5376 -265285.8414 -222106.8542 156.5376 -5900.2978 -2885.1010 921491.4634 -5900.2978 -2885.1010
ENERGY: 212 23739.2710 19730.8222 5710.0295 176.0352 -336013.6228 21412.5983 0.0000 0.0000 42995.1637 -222249.7028 156.4046 -265244.8665 -222104.2320 156.4046 -4424.1004 -2820.3211 921491.4634 -4424.1004 -2820.3211
ENERGY: 213 20150.2161 19524.5249 5720.1722 175.9508 -334874.6444 21380.5552 0.0000 0.0000 45418.7804 -222504.4449 165.2210 -267923.2253 -222097.3836 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
ENERGY: 214 17315.5528 19421.7449 5733.3059 176.6827 -333645.3937 21358.4486 0.0000 0.0000 46958.4702 -222681.1887 170.8220 -269639.6588 -222093.7409 170.8220 -143.6685 -2626.0579 921491.4634 -143.6685 -2626.0579
ENERGY: 215 18210.5053 19441.9744 5746.5772 178.1492 -332787.3323 21379.5597 0.0000 0.0000 45302.6746 -222527.8918 164.7987 -267830.5665 -222091.0449 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4715 19522.5062 5756.9571 180.1770 -332560.1063 21436.4836 0.0000 0.0000 42442.1788 -222248.3320 154.3930 -264690.5108 -222073.6158 154.3930 420.9902 -2541.5429 921491.4634 420.9902 -2541.5429
ENERGY: 217 21778.3867 19581.4821 5762.2416 182.5517 -333010.6761 21497.2706 0.0000 0.0000 41983.6750 -222225.0685 152.7251 -264208.7435 -222064.4467 152.7251 -882.1699 -2598.7245 921491.4634 -882.1699 -2598.7245
ENERGY: 218 20165.9158 19540.0891 5761.2415 184.9927 -333856.1152 21546.6561 0.0000 0.0000 44178.6836 -222478.5363 160.7099 -266657.2199 -222068.8157 160.7099 -2628.0654 -2703.9748 921491.4634 -2628.0654 -2703.9748
ENERGY: 219 19429.8641 19413.3932 5754.3577 187.2447 -334778.0714 21596.8809 0.0000 0.0000 45751.9298 -222644.4010 166.4329 -268396.3308 -222073.1722 166.4329 -4457.7334 -2810.5238 921491.4634 -4457.7334 -2810.5238
TIMING: 220 CPU: 105.086, 0.471825/step Wall: 105.086, 0.471825/step, 0.0366975 hours remaining, 3221.199219 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 21580.9145 19260.1137 5743.1672 189.1021 -335473.8435 21655.3185 0.0000 0.0000 44539.5740 -222505.6536 162.0227 -267045.2276 -222092.6290 162.0227 -5898.3513 -2876.6577 921491.4634 -5898.3513 -2876.6577
ENERGY: 221 24234.7392 19146.8279 5730.1601 190.4777 -335718.7277 21699.4245 0.0000 0.0000 42467.0189 -222250.0794 154.4833 -264717.0983 -222077.7836 154.4833 -6342.7098 -2884.3552 921491.4634 -6342.7098 -2884.3552
ENERGY: 222 23735.1224 19085.7308 5717.7679 191.2893 -335388.9915 21700.3077 0.0000 0.0000 42702.0389 -222256.7344 155.3383 -264958.7733 -222075.6639 155.3383 -5368.7279 -2838.7016 921491.4634 -5368.7279 -2838.7016
ENERGY: 223 20286.4336 19110.8426 5708.3528 191.5579 -334633.3913 21665.5243 0.0000 0.0000 45168.7532 -222501.9270 164.3115 -267670.6802 -222072.2458 164.3115 -3322.8075 -2753.9474 921491.4634 -3322.8075 -2753.9474
ENERGY: 224 17721.9817 19276.3017 5703.4616 191.3517 -333831.1559 21637.4893 0.0000 0.0000 46650.8781 -222649.6918 169.7031 -269300.5699 -222098.2848 169.7031 -1151.0968 -2650.6854 921491.4634 -1151.0968 -2650.6854
ENERGY: 225 18451.5606 19639.7348 5703.5482 190.8347 -333424.4647 21647.4589 0.0000 0.0000 45301.5806 -222489.7470 164.7947 -267791.3276 -222079.9381 164.7947 226.2575 -2563.9720 921491.4634 226.2575 -2563.9720
ENERGY: 226 20569.7730 20147.6373 5707.2430 190.0457 -333606.5694 21686.9381 0.0000 0.0000 43034.1678 -222270.7645 156.5465 -265304.9323 -222078.6805 156.5465 530.9034 -2526.3323 921491.4634 530.9034 -2526.3323
ENERGY: 227 21011.1676 20670.4531 5712.3895 189.0770 -334317.7220 21728.2284 0.0000 0.0000 42721.7945 -222284.6121 155.4101 -265006.4065 -222080.2099 155.4101 -104.6488 -2553.6074 921491.4634 -104.6488 -2553.6074
ENERGY: 228 19866.2929 21035.8343 5716.6482 188.0081 -335312.4267 21761.2924 0.0000 0.0000 44242.5385 -222501.8125 160.9422 -266744.3509 -222102.7894 160.9422 -1440.0182 -2625.9673 921491.4634 -1440.0182 -2625.9673
ENERGY: 229 19874.0814 21137.5586 5718.5477 187.0043 -336264.4469 21796.8120 0.0000 0.0000 44976.5836 -222573.8592 163.6124 -267550.4428 -222086.0491 163.6124 -3234.4609 -2710.7215 921491.4634 -3234.4609 -2710.7215
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 230 21999.2457 20926.2537 5717.1889 185.9786 -336838.6566 21834.6451 0.0000 0.0000 43751.0552 -222424.2895 159.1543 -266175.3447 -222088.6910 159.1543 -4902.3782 -2766.0557 921491.4634 -4902.3782 -2766.0557
ENERGY: 231 23806.6619 20470.3273 5713.0793 184.9073 -336794.0753 21849.7234 0.0000 0.0000 42506.4014 -222262.9748 154.6266 -264769.3762 -222089.4823 154.6266 -5730.6844 -2773.7615 921491.4634 -5730.6844 -2773.7615
ENERGY: 232 22812.6532 19886.6602 5707.7133 183.7520 -336072.1016 21820.0136 0.0000 0.0000 43315.5692 -222345.7402 157.5701 -265661.3094 -222098.2755 157.5701 -5301.5937 -2731.4985 921491.4634 -5301.5937 -2731.4985
ENERGY: 233 20035.6404 19318.2043 5703.4910 182.6157 -334889.2831 21760.7376 0.0000 0.0000 45350.0987 -222538.4953 164.9712 -267888.5940 -222089.6822 164.9712 -3899.2116 -2646.7386 921491.4634 -3899.2116 -2646.7386
ENERGY: 234 18553.6064 18856.0076 5702.3325 181.3395 -333642.4871 21712.9299 0.0000 0.0000 46049.0873 -222587.1840 167.5139 -268636.2712 -222086.3330 167.5139 -2187.7190 -2534.9736 921491.4634 -2187.7190 -2534.9736
ENERGY: 235 19419.0962 18603.4161 5705.8180 179.9133 -332789.1748 21702.6096 0.0000 0.0000 44750.4958 -222427.8258 162.7900 -267178.3216 -222083.1204 162.7900 -820.1733 -2429.4348 921491.4634 -820.1733 -2429.4348
ENERGY: 236 20566.0775 18629.1001 5714.2865 178.3391 -332585.8846 21721.5012 0.0000 0.0000 43477.4013 -222299.1788 158.1588 -265776.5801 -222073.0119 158.1588 -108.6479 -2371.7042 921491.4634 -108.6479 -2371.7042
ENERGY: 237 20196.0057 18940.2031 5726.8243 176.7459 -333068.3185 21749.0157 0.0000 0.0000 43898.3779 -222381.1460 159.6902 -266279.5238 -222063.3606 159.6902 -172.1586 -2373.2011 921491.4634 -172.1586 -2373.2011
ENERGY: 238 19419.4413 19404.0885 5740.6977 175.0128 -333964.3152 21778.9043 0.0000 0.0000 44901.2436 -222544.9271 163.3384 -267446.1706 -222065.9778 163.3384 -987.6013 -2425.5309 921491.4634 -987.6013 -2425.5309
ENERGY: 239 20428.8617 19846.5441 5752.8836 173.1946 -334966.8379 21816.7509 0.0000 0.0000 44416.4633 -222532.1398 161.5749 -266948.6031 -222068.9826 161.5749 -2385.1782 -2499.0795 921491.4634 -2385.1782 -2499.0795
TIMING: 240 CPU: 114.517, 0.471568/step Wall: 114.517, 0.471568/step, 0.0340577 hours remaining, 3221.199219 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 5760.6909 171.4213 -335766.3627 21854.4253 0.0000 0.0000 42641.4775 -222357.3920 155.1180 -264998.8695 -222074.0954 155.1180 -3844.9087 -2568.3896 921491.4634 -3844.9087 -2568.3896
ENERGY: 241 23920.0054 20195.4873 5762.7124 169.9828 -336129.3253 21865.1032 0.0000 0.0000 41957.8934 -222258.1407 152.6313 -264216.0342 -222063.9159 152.6313 -4724.4493 -2616.3453 921491.4634 -4724.4493 -2616.3453
ENERGY: 242 22110.7717 20111.8209 5758.5348 169.0441 -335904.8196 21831.0568 0.0000 0.0000 43526.8718 -222396.7196 158.3388 -265923.5914 -222063.5736 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3620 19969.6445 5749.3614 168.8705 -335233.7066 21770.4748 0.0000 0.0000 45537.0689 -222575.9246 165.6513 -268112.9934 -222061.6674 165.6513 -3760.4504 -2614.6992 921491.4634 -3760.4504 -2614.6992
ENERGY: 244 18822.2462 19849.3933 5737.4544 169.6534 -334482.6007 21720.5676 0.0000 0.0000 45629.1662 -222554.1195 165.9864 -268183.2857 -222078.7771 165.9864 -2667.7296 -2573.2149 921491.4634 -2667.7296 -2573.2149
ENERGY: 245 20148.2366 19811.7598 5725.7785 171.4559 -334087.5943 21701.2470 0.0000 0.0000 44168.5248 -222360.5918 160.6730 -266529.1166 -222068.6366 160.6730 -1771.6898 -2533.5454 921491.4634 -1771.6898 -2533.5454
ENERGY: 246 20878.5480 19853.7023 5716.8932 174.1558 -334213.1203 21705.0851 0.0000 0.0000 43600.4182 -222284.3178 158.6063 -265884.7360 -222067.4296 158.6063 -1173.7927 -2523.3912 921491.4634 -1173.7927 -2523.3912
ENERGY: 247 19868.5287 19979.6439 5712.7400 177.5412 -334802.1841 21719.8455 0.0000 0.0000 44912.1911 -222431.6937 163.3782 -267343.8848 -222068.1394 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4926 20164.4295 5713.8450 181.3144 -335623.1353 21746.4311 0.0000 0.0000 46185.9361 -222595.6865 168.0117 -268781.6226 -222090.3127 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -2608.3066
ENERGY: 249 20484.3306 20353.6193 5719.1623 185.0800 -336433.0068 21788.9034 0.0000 0.0000 45370.8152 -222531.0959 165.0466 -267901.9111 -222082.9711 165.0466 -2308.0288 -2671.2386 921491.4634 -2308.0288 -2671.2386
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 250 23155.2058 20422.5256 5726.1009 188.5682 -336907.4411 21832.9290 0.0000 0.0000 43252.1659 -222329.9458 157.3395 -265582.1117 -222084.2879 157.3395 -3365.2098 -2722.3880 921491.4634 -3365.2098 -2722.3880
ENERGY: 251 24002.1400 20302.5996 5731.6573 191.5295 -336816.8450 21849.8674 0.0000 0.0000 42475.2392 -222263.8121 154.5132 -264739.0513 -222084.8990 154.5132 -3958.0341 -2753.0724 921491.4634 -3958.0341 -2753.0724
ENERGY: 252 21994.9043 20013.1599 5733.2541 193.8023 -336093.2678 21826.9296 0.0000 0.0000 43905.3720 -222425.8456 159.7157 -266331.2176 -222091.3305 159.7157 -3843.4682 -2758.0339 921491.4634 -3843.4682 -2758.0339
ENERGY: 253 19499.8637 19667.1123 5729.5496 195.2411 -334977.1808 21784.0537 0.0000 0.0000 45520.0192 -222581.3412 165.5893 -268101.3604 -222082.7205 165.5893 -3300.1272 -2735.8132 921491.4634 -3300.1272 -2735.8132
ENERGY: 254 19073.0879 19348.2297 5720.5008 195.9622 -333839.8799 21752.6525 0.0000 0.0000 45220.9196 -222528.5272 164.5013 -267749.4468 -222080.4686 164.5013 -2707.1335 -2696.1701 921491.4634 -2707.1335 -2696.1701
ENERGY: 255 20324.2309 19109.4103 5707.6062 196.0620 -333099.9234 21746.1516 0.0000 0.0000 43667.4213 -222349.0410 158.8501 -266016.4624 -222078.3976 158.8501 -2282.5422 -2662.7814 921491.4634 -2282.5422 -2662.7814
ENERGY: 256 20899.4408 18950.9580 5693.4518 195.6570 -332975.5974 21757.6848 0.0000 0.0000 43181.1612 -222297.2438 157.0812 -265478.4050 -222071.2739 157.0812 -2042.2407 -2664.5198 921491.4634 -2042.2407 -2664.5198
ENERGY: 257 20029.5653 18878.1875 5681.1759 194.7976 -333481.0041 21780.2420 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 19453.5867 18882.0668 5673.2911 193.6684 -334373.1547 21817.5078 0.0000 0.0000 45796.2578 -222556.7762 166.5942 -268353.0340 -222062.0608 166.5942 -2331.2328 -2737.1919 921491.4634 -2331.2328 -2737.1919
ENERGY: 259 20717.7709 18984.1030 5671.3007 192.3773 -335369.5280 21871.0067 0.0000 0.0000 45431.1556 -222501.8139 165.2661 -267932.9695 -222063.7307 165.2661 -2890.3672 -2780.4961 921491.4634 -2890.3672 -2780.4961
TIMING: 260 CPU: 123.938, 0.471039/step Wall: 123.938, 0.471039/step, 0.0314026 hours remaining, 3221.503906 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 19188.2463 5675.1875 191.0393 -336169.7731 21924.7894 0.0000 0.0000 44083.4306 -222362.1257 160.3634 -266445.5563 -222069.6813 160.3634 -3407.4795 -2810.9877 921491.4634 -3407.4795 -2810.9877
ENERGY: 261 23215.5574 19485.4655 5683.6413 189.7700 -336523.9802 21953.3903 0.0000 0.0000 43676.0233 -222320.1323 158.8814 -265996.1557 -222052.8236 158.8814 -3555.3695 -2822.8647 921491.4634 -3555.3695 -2822.8647
ENERGY: 262 21606.2725 19814.6776 5694.0656 188.7122 -336291.7859 21947.6075 0.0000 0.0000 44601.6345 -222438.8160 162.2485 -267040.4505 -222052.4323 162.2485 -3214.7560 -2810.4636 921491.4634 -3214.7560 -2810.4636
ENERGY: 263 19781.1228 20140.5621 5703.8103 187.9445 -335614.9712 21924.4741 0.0000 0.0000 45349.7771 -222527.2804 164.9700 -267877.0575 -222051.1547 164.9700 -2647.8113 -2773.3902 921491.4634 -2647.8113 -2773.3902
ENERGY: 264 19385.2258 20436.4304 5710.6950 187.5052 -334855.9509 21907.7773 0.0000 0.0000 44751.4784 -222476.8389 162.7936 -267228.3173 -222069.1983 162.7936 -2191.1924 -2723.5293 921491.4634 -2191.1924 -2723.5293
ENERGY: 265 19946.8413 20681.9925 5713.6241 187.4392 -334395.6629 21906.0164 0.0000 0.0000 43607.6373 -222352.1121 158.6326 -265959.7494 -222054.3372 158.6326 -2038.0570 -2683.6033 921491.4634 -2038.0570 -2683.6033
ENERGY: 266 20048.7898 20788.8700 5712.1327 187.6137 -334399.4574 21914.4806 0.0000 0.0000 43399.3794 -222348.1912 157.8750 -265747.5707 -222054.3635 157.8750 -2130.7238 -2664.5955 921491.4634 -2130.7238 -2664.5955
ENERGY: 267 19648.0905 20691.2678 5707.0583 187.8501 -334831.4853 21930.8375 0.0000 0.0000 44220.2165 -222446.1646 160.8610 -266666.3811 -222055.6585 160.8610 -2435.4233 -2662.6782 921491.4634 -2435.4233 -2662.6782
ENERGY: 268 19962.9160 20375.7515 5700.1930 187.9286 -335513.7448 21959.1258 0.0000 0.0000 44823.5375 -222504.2923 163.0557 -267327.8298 -222075.9874 163.0557 -2903.2125 -2658.6180 921491.4634 -2903.2125 -2658.6180
ENERGY: 269 21396.7813 19927.1702 5694.0390 187.7639 -336221.0661 21997.2161 0.0000 0.0000 44586.5098 -222431.5857 162.1935 -267018.0955 -222066.1972 162.1935 -3401.4130 -2647.2949 921491.4634 -3401.4130 -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 22620.1934 19450.9167 5690.3173 187.1618 -336650.6775 22028.8071 0.0000 0.0000 44308.0074 -222365.2737 161.1804 -266673.2811 -222067.0433 161.1804 -3583.3635 -2617.7582 921491.4634 -3583.3635 -2617.7582
ENERGY: 271 22345.5825 19078.8066 5690.0209 186.1610 -336571.7893 22035.2502 0.0000 0.0000 44829.4471 -222406.5211 163.0772 -267235.9682 -222066.8385 163.0772 -3261.2175 -2569.2622 921491.4634 -3261.2175 -2569.2622
ENERGY: 272 21021.5585 18896.0662 5692.8269 184.9335 -335921.4616 22015.0580 0.0000 0.0000 45607.7075 -222503.3110 165.9083 -268111.0184 -222081.1571 165.9083 -2551.9684 -2501.8804 921491.4634 -2551.9684 -2501.8804
ENERGY: 273 20123.2135 18932.9082 5697.5118 183.8526 -334925.7013 21985.5296 0.0000 0.0000 45502.7160 -222499.9695 165.5264 -268002.6855 -222069.0458 165.5264 -1837.1974 -2434.6760 921491.4634 -1837.1974 -2434.6760
ENERGY: 274 20074.7414 19121.4864 5701.6806 183.0070 -333931.6257 21965.2977 0.0000 0.0000 44478.5175 -222406.8951 161.8006 -266885.4126 -222066.8028 161.8006 -1366.5211 -2384.6634 921491.4634 -1366.5211 -2384.6634
ENERGY: 275 20005.4315 19374.0683 5703.3424 182.5376 -333318.5603 21960.8300 0.0000 0.0000 43741.9682 -222350.3824 159.1213 -266092.3506 -222065.7692 159.1213 -1269.7929 -2374.8869 921491.4634 -1269.7929 -2374.8869
ENERGY: 276 19401.8501 19594.7510 5701.2547 182.4904 -333292.1279 21971.0410 0.0000 0.0000 44028.5270 -222412.2138 160.1637 -266440.7408 -222072.9393 160.1637 -1580.1298 -2417.6040 921491.4634 -1580.1298 -2417.6040
ENERGY: 277 19149.2972 19724.7162 5695.5210 182.9396 -333864.3452 21997.2387 0.0000 0.0000 44632.8110 -222481.8216 162.3619 -267114.6325 -222061.0986 162.3619 -2311.7544 -2498.0545 921491.4634 -2311.7544 -2498.0545
ENERGY: 278 20199.4577 19713.7761 5686.9122 183.6585 -334821.1002 22041.3359 0.0000 0.0000 44532.2540 -222463.7059 161.9961 -266995.9599 -222063.4129 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
ENERGY: 279 21984.3650 19593.9431 5677.5176 184.5187 -335888.5800 22096.4199 0.0000 0.0000 43975.0880 -222376.7277 159.9693 -266351.8158 -222065.2022 159.9693 -4044.3215 -2682.8389 921491.4634 -4044.3215 -2682.8389
TIMING: 280 CPU: 133.35, 0.470613/step Wall: 133.35, 0.470613/step, 0.0287597 hours remaining, 3221.503906 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 22859.3232 19458.4366 5670.0026 185.3899 -336752.6632 22145.1354 0.0000 0.0000 44066.7339 -222367.6417 160.3027 -266434.3755 -222073.4245 160.3027 -4286.3895 -2748.0546 921491.4634 -4286.3895 -2748.0546
ENERGY: 281 22172.5961 19445.1181 5667.0588 186.2206 -337154.6802 22172.1192 0.0000 0.0000 45063.2423 -222448.3251 163.9277 -267511.5673 -222064.8516 163.9277 -3881.2953 -2782.5902 921491.4634 -3881.2953 -2782.5902
ENERGY: 282 20943.7900 19615.5377 5669.9796 186.8360 -336942.5032 22176.7654 0.0000 0.0000 45823.3370 -222526.2575 166.6927 -268349.5945 -222063.3314 166.6927 -2992.3272 -2779.3668 921491.4634 -2992.3272 -2779.3668
ENERGY: 283 20432.1060 19966.6613 5678.8137 187.1634 -336251.9198 22171.0648 0.0000 0.0000 45328.8521 -222487.2585 164.8939 -267816.1106 -222060.8457 164.8939 -2008.7735 -2748.2306 921491.4634 -2008.7735 -2748.2306
ENERGY: 284 20506.3997 20401.8821 5692.0830 187.1346 -335412.6298 22166.2909 0.0000 0.0000 44071.4481 -222387.3915 160.3198 -266458.8396 -222061.5540 160.3198 -1267.2790 -2712.3902 921491.4634 -1267.2790 -2712.3902
ENERGY: 285 20203.3286 20789.9628 5707.3565 186.7145 -334827.1964 22167.0165 0.0000 0.0000 43418.2630 -222354.5545 157.9437 -265772.8176 -222053.5967 157.9437 -1010.8436 -2700.0820 921491.4634 -1010.8436 -2700.0820
ENERGY: 286 19396.6309 20966.5622 5721.5031 185.8229 -334658.1147 22176.6863 0.0000 0.0000 43785.6881 -222425.2212 159.2803 -266210.9093 -222054.0583 159.2803 -1306.7501 -2717.2847 921491.4634 -1306.7501 -2717.2847
ENERGY: 287 19176.1190 20856.7822 5731.9346 184.4714 -334918.1480 22200.2910 0.0000 0.0000 44282.9437 -222485.6059 161.0892 -266768.5497 -222055.7254 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2088 20475.2851 5736.9557 182.7335 -335468.3149 22237.9037 0.0000 0.0000 44116.9906 -222455.2376 160.4855 -266572.2281 -222066.9053 160.4855 -3310.5880 -2790.1554 921491.4634 -3310.5880 -2790.1554
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 145.359
LDB: Largest compute 200 load 0.521395 is 1.1% of average load 45.721434
LDB: Average compute 0.064066 is 0.1% of average load 45.721434
LDB: TIME 145.361 LOAD: AVG 45.7214 MAX 47.1284 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3221.9 MB
LDB: TIME 145.361 LOAD: AVG 45.7214 MAX 47.1284 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3221.9 MB
LDB: TIME 145.375 LOAD: AVG 45.7214 MAX 46.1769 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3221.9 MB
LDB: ============== END OF LOAD BALANCING =============== 145.375
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 145.377
Info: Initial time: 4 CPUs 0.470949 s/step 5.4508 days/ns 3221.9 MB memory
TIMING: 300 CPU: 142.762, 0.47062/step Wall: 142.762, 0.47062/step, 0.0261456 hours remaining, 3221.898438 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: 151.975, 0.460611/step Wall: 151.975, 0.460611/step, 0.0230306 hours remaining, 3221.898438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 340 CPU: 161.177, 0.460139/step Wall: 161.177, 0.460139/step, 0.0204506 hours remaining, 3221.898438 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: 170.378, 0.460014/step Wall: 170.378, 0.460015/step, 0.0178895 hours remaining, 3221.898438 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: 368 20561.5938 19748.2122 5739.6691 179.8275 -335728.0875 22808.6655 0.0000 0.0000 44272.8404 -222417.2790 161.0524 -266690.1194 -222068.2909 161.0524 -2928.4885 -2487.3068 921491.4634 -2928.4885 -2487.3068
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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 20646.4609 20251.1595 5706.5522 182.3248 -335763.5803 22794.3778 0.0000 0.0000 43848.2751 -222334.4301 159.5080 -266182.7052 -222041.4011 159.5080 -1819.5856 -2472.4985 921491.4634 -1819.5856 -2472.4985
ENERGY: 378 20473.8101 20495.6596 5711.4639 183.2952 -336584.2281 22821.5841 0.0000 0.0000 44474.7532 -222423.6619 161.7869 -266898.4151 -222044.3966 161.7869 -2972.9872 -2523.3497 921491.4634 -2972.9872 -2523.3497
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TIMING: 380 CPU: 179.569, 0.459579/step Wall: 179.569, 0.459579/step, 0.0153193 hours remaining, 3221.898438 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 19625.4114 19596.0354 5710.5349 179.0647 -336052.0487 22884.2538 0.0000 0.0000 45539.1828 -222517.5656 165.6590 -268056.7485 -222062.0924 165.6590 -569.2378 -2166.9356 921491.4634 -569.2378 -2166.9356
ENERGY: 385 19327.8181 19356.8912 5707.7752 177.4354 -335210.6401 22871.6148 0.0000 0.0000 45299.7167 -222469.3888 164.7879 -267769.1055 -222051.0992 164.7879 215.3516 -2064.3635 921491.4634 215.3516 -2064.3635
ENERGY: 386 19981.2273 19220.9465 5707.6638 175.9385 -334865.1818 22880.7961 0.0000 0.0000 44519.8583 -222378.7514 161.9510 -266898.6097 -222051.0436 161.9510 122.6671 -2011.2426 921491.4634 122.6671 -2011.2426
ENERGY: 387 20367.2860 19202.4844 5710.9354 174.6759 -335109.8726 22905.2747 0.0000 0.0000 44377.1813 -222372.0348 161.4320 -266749.2161 -222053.0048 161.4320 -738.9583 -2019.1688 921491.4634 -738.9583 -2019.1688
ENERGY: 388 20282.3988 19280.0167 5717.2934 173.7038 -335824.1521 22938.2904 0.0000 0.0000 44972.7759 -222459.6731 163.5986 -267432.4490 -222067.4817 163.5986 -2063.8553 -2076.2820 921491.4634 -2063.8553 -2076.2820
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 397 19906.7784 20200.7714 5721.4919 176.2273 -336102.8178 22990.0375 0.0000 0.0000 44712.8676 -222394.6437 162.6531 -267107.5113 -222042.6595 162.6531 -376.0862 -2327.2102 921491.4634 -376.0862 -2327.2102
ENERGY: 398 19692.8117 20133.3594 5716.9814 176.0456 -336812.3381 23014.0585 0.0000 0.0000 45592.7324 -222486.3492 165.8538 -268079.0815 -222045.7218 165.8538 -1710.2236 -2443.6965 921491.4634 -1710.2236 -2443.6965
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LDB: ============= START OF LOAD BALANCING ============== 191.377
LDB: Largest compute 230 load 0.523981 is 1.1% of average load 45.718969
LDB: Average compute 0.064043 is 0.1% of average load 45.718969
LDB: TIME 191.379 LOAD: AVG 45.719 MAX 46.0004 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3221.9 MB
LDB: TIME 191.38 LOAD: AVG 45.719 MAX 46.0004 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3221.9 MB
LDB: TIME 191.38 LOAD: AVG 45.719 MAX 46.0004 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3221.9 MB
LDB: ============== END OF LOAD BALANCING =============== 191.38
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 191.381
Info: Benchmark time: 4 CPUs 0.459944 s/step 5.32343 days/ns 3221.9 MB memory
TIMING: 400 CPU: 188.761, 0.45958/step Wall: 188.761, 0.45958/step, 0.0127661 hours remaining, 3221.898438 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 19835.9108 5715.8942 173.8391 -338107.6290 23109.6377 0.0000 0.0000 44436.8103 -222391.4888 161.6489 -266828.2991 -222049.2224 161.6489 -4939.3796 -2681.7025 921491.4634 -4939.3796 -2681.7025
ENERGY: 403 20784.9697 19778.4828 5715.7218 174.2695 -337239.9787 23077.8400 0.0000 0.0000 45225.5967 -222483.0982 164.5183 -267708.6948 -222046.6852 164.5183 -3613.5980 -2605.7429 921491.4634 -3613.5980 -2605.7429
ENERGY: 404 19687.5955 19735.4028 5713.8114 175.5084 -336169.1142 23038.2898 0.0000 0.0000 45313.8397 -222504.6666 164.8393 -267818.5063 -222060.2368 164.8393 -1967.0748 -2494.0440 921491.4634 -1967.0748 -2494.0440
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ENERGY: 408 19735.8471 19387.6642 5692.2152 187.5226 -335902.8219 23017.8170 0.0000 0.0000 45394.4128 -222487.3430 165.1324 -267881.7558 -222063.5310 165.1324 -920.8282 -2294.1557 921491.4634 -920.8282 -2294.1557
ENERGY: 409 20350.1189 19376.4605 5688.4775 191.1593 -336896.6848 23057.9919 0.0000 0.0000 45733.6066 -222498.8702 166.3663 -268232.4768 -222051.6703 166.3663 -2367.4921 -2346.9327 921491.4634 -2367.4921 -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: 413 21130.1420 20138.5250 5699.9334 199.7191 -337872.5321 23125.1113 0.0000 0.0000 45113.2146 -222465.8867 164.1095 -267579.1014 -222055.3451 164.1095 -3850.6272 -2398.9550 921491.4634 -3850.6272 -2398.9550
ENERGY: 414 19987.3858 20381.5508 5705.1135 199.5118 -337122.7799 23094.4554 0.0000 0.0000 45271.6531 -222483.1095 164.6858 -267754.7626 -222052.1621 164.6858 -2501.3244 -2333.9465 921491.4634 -2501.3244 -2333.9465
ENERGY: 415 19745.2666 20572.1261 5708.7452 198.1487 -336456.1973 23071.1988 0.0000 0.0000 44733.2278 -222427.4843 162.7272 -267160.7120 -222049.0344 162.7272 -1174.6453 -2266.5617 921491.4634 -1174.6453 -2266.5617
ENERGY: 416 19942.3168 20661.9897 5710.0857 195.6953 -336157.5861 23063.1711 0.0000 0.0000 44200.2854 -222384.0419 160.7885 -266584.3274 -222052.9642 160.7885 -282.7614 -2224.6898 921491.4634 -282.7614 -2224.6898
ENERGY: 417 20031.3749 20631.3209 5709.0494 192.4696 -336373.1073 23072.1095 0.0000 0.0000 44338.4623 -222398.3208 161.2911 -266736.7830 -222044.6991 161.2911 -112.4553 -2227.1700 921491.4634 -112.4553 -2227.1700
ENERGY: 418 20154.6648 20457.0909 5705.5847 188.6536 -336970.7865 23098.6723 0.0000 0.0000 44915.1426 -222450.9777 163.3889 -267366.1202 -222046.7091 163.3889 -671.8546 -2269.9922 921491.4634 -671.8546 -2269.9922
ENERGY: 419 20790.7631 20185.5523 5700.4811 184.6054 -337717.8755 23139.8020 0.0000 0.0000 45250.3104 -222466.3611 164.6082 -267716.6716 -222049.5948 164.6082 -1783.9422 -2336.6465 921491.4634 -1783.9422 -2336.6465
TIMING: 420 CPU: 197.928, 0.458366/step Wall: 197.928, 0.458366/step, 0.0101859 hours remaining, 3221.898438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 423 21418.8988 19324.4275 5689.6736 172.2145 -337416.8956 23180.6038 0.0000 0.0000 45183.9710 -222447.1063 164.3669 -267631.0773 -222051.5233 164.3669 -3955.8308 -2434.9306 921491.4634 -3955.8308 -2434.9306
ENERGY: 424 20531.3311 19270.7818 5692.6543 170.6563 -336406.2763 23140.4645 0.0000 0.0000 45151.0454 -222449.3430 164.2471 -267600.3885 -222060.4127 164.2471 -3030.1609 -2370.2033 921491.4634 -3030.1609 -2370.2033
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ENERGY: 427 19598.5315 19595.2899 5707.1504 168.7509 -335498.4319 23074.5006 0.0000 0.0000 44915.2776 -222438.9310 163.3894 -267354.2086 -222048.7338 163.3894 -741.9008 -2207.6355 921491.4634 -741.9008 -2207.6355
ENERGY: 428 20140.4228 19760.4172 5710.4629 168.5259 -336199.9852 23087.7676 0.0000 0.0000 44884.2596 -222448.1294 163.2766 -267332.3890 -222058.0547 163.2766 -935.5731 -2206.9584 921491.4634 -935.5731 -2206.9584
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9872 20024.3741 5712.1700 168.1897 -338096.9208 23149.4492 0.0000 0.0000 44626.3101 -222402.4404 162.3383 -267028.7504 -222047.3912 162.3383 -2472.2457 -2268.0465 921491.4634 -2472.2457 -2268.0465
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ENERGY: 432 21768.3706 20188.6730 5710.3547 168.1086 -338651.2109 23176.0846 0.0000 0.0000 45177.9909 -222461.6285 164.3451 -267639.6194 -222065.9058 164.3451 -3350.2744 -2296.1498 921491.4634 -3350.2744 -2296.1498
ENERGY: 433 21200.9074 20275.9669 5710.3763 168.4633 -338164.0646 23162.2911 0.0000 0.0000 45192.9284 -222453.1311 164.3995 -267646.0595 -222052.5982 164.3995 -3187.3734 -2272.1276 921491.4634 -3187.3734 -2272.1276
ENERGY: 434 20730.3413 20338.1504 5711.6061 169.3247 -337394.2712 23140.7736 0.0000 0.0000 44883.1000 -222420.9751 163.2724 -267304.0751 -222051.1462 163.2724 -2694.3108 -2227.7885 921491.4634 -2694.3108 -2227.7885
ENERGY: 435 20235.2201 20362.4018 5714.0003 170.8455 -336680.6563 23123.4099 0.0000 0.0000 44675.9844 -222398.7944 162.5190 -267074.7788 -222049.5888 162.5190 -2061.3581 -2179.8951 921491.4634 -2061.3581 -2179.8951
ENERGY: 436 19670.9243 20349.9983 5717.2346 173.0864 -336303.8820 23119.9080 0.0000 0.0000 44847.0989 -222425.6316 163.1414 -267272.7305 -222059.6958 163.1414 -1520.6597 -2145.1617 921491.4634 -1520.6597 -2145.1617
ENERGY: 437 19434.5517 20329.5094 5720.9894 175.9827 -336411.9794 23136.3870 0.0000 0.0000 45159.2692 -222455.2900 164.2770 -267614.5592 -222050.7502 164.2770 -1319.1168 -2134.4848 921491.4634 -1319.1168 -2134.4848
ENERGY: 438 19935.1533 20278.6097 5724.6884 179.3849 -336899.4587 23173.5522 0.0000 0.0000 45148.1329 -222459.9373 164.2365 -267608.0702 -222051.5668 164.2365 -1493.0941 -2145.0881 921491.4634 -1493.0941 -2145.0881
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TIMING: 440 CPU: 207.091, 0.458158/step Wall: 207.091, 0.458158/step, 0.00763596 hours remaining, 3221.898438 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 22071.5685 20036.2375 5729.7527 186.7202 -338123.1815 23276.2490 0.0000 0.0000 44417.5462 -222405.1074 161.5788 -266822.6536 -222059.4768 161.5788 -2408.4612 -2197.9669 921491.4634 -2408.4612 -2197.9669
ENERGY: 441 22355.5489 19860.0412 5730.3488 190.1146 -338361.1723 23313.2049 0.0000 0.0000 44502.6965 -222409.2174 161.8886 -266911.9139 -222050.0855 161.8886 -2716.1027 -2221.5311 921491.4634 -2716.1027 -2221.5311
ENERGY: 442 21853.6121 19664.5352 5729.4854 192.9412 -338090.1539 23327.1573 0.0000 0.0000 44880.6320 -222441.7908 163.2634 -267322.4228 -222049.7750 163.2634 -2710.5575 -2229.0694 921491.4634 -2710.5575 -2229.0694
ENERGY: 443 21064.3317 19487.0724 5727.6164 194.9329 -337369.3155 23320.0163 0.0000 0.0000 45118.1108 -222457.2349 164.1273 -267575.3457 -222048.5991 164.1273 -2448.1646 -2220.3528 921491.4634 -2448.1646 -2220.3528
ENERGY: 444 20449.3363 19357.2689 5725.4095 195.8735 -336464.1931 23301.5282 0.0000 0.0000 44987.7180 -222447.0588 163.6530 -267434.7768 -222057.9797 163.6530 -2090.2098 -2206.4398 921491.4634 -2090.2098 -2206.4398
ENERGY: 445 20125.5607 19307.2515 5723.6513 195.6942 -335759.3922 23283.8144 0.0000 0.0000 44708.7159 -222414.7041 162.6380 -267123.4200 -222046.5428 162.6380 -1846.9624 -2201.6925 921491.4634 -1846.9624 -2201.6925
ENERGY: 446 19947.6805 19324.9003 5722.5430 194.3235 -335494.5716 23276.0457 0.0000 0.0000 44620.2948 -222408.7838 162.3164 -267029.0787 -222046.1620 162.3164 -1800.7516 -2216.7293 921491.4634 -1800.7516 -2216.7293
ENERGY: 447 19914.2850 19416.0207 5722.2107 191.8641 -335769.4408 23282.7463 0.0000 0.0000 44816.5089 -222425.8049 163.0301 -267242.3139 -222046.8342 163.0301 -1993.3111 -2253.0602 921491.4634 -1993.3111 -2253.0602
ENERGY: 448 20187.5923 19583.6799 5722.5764 188.5554 -336503.1809 23303.8909 0.0000 0.0000 45065.6675 -222451.2185 163.9365 -267516.8860 -222059.3481 163.9365 -2372.1878 -2303.7898 921491.4634 -2372.1878 -2303.7898
ENERGY: 449 20877.4061 19832.6986 5723.5712 184.8596 -337500.9081 23334.5928 0.0000 0.0000 45101.1677 -222446.6119 164.0657 -267547.7797 -222047.7099 164.0657 -2827.1082 -2356.1407 921491.4634 -2827.1082 -2356.1407
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4855 20108.1302 5724.4776 181.0897 -338419.3259 23364.6248 0.0000 0.0000 44854.3095 -222432.2087 163.1676 -267286.5181 -222048.7861 163.1676 -3116.6758 -2394.3896 921491.4634 -3116.6758 -2394.3896
ENERGY: 451 22355.5904 20357.7258 5724.7144 177.6517 -338952.0918 23381.8012 0.0000 0.0000 44542.6983 -222411.9100 162.0341 -266954.6083 -222048.8246 162.0341 -3074.2534 -2405.7797 921491.4634 -3074.2534 -2405.7797
ENERGY: 452 22246.2016 20536.0137 5723.8953 174.8859 -338927.1546 23378.0949 0.0000 0.0000 44452.9192 -222415.1439 161.7075 -266868.0631 -222059.6370 161.7075 -2659.9606 -2384.7567 921491.4634 -2659.9606 -2384.7567
ENERGY: 453 21399.8727 20641.1313 5722.2878 173.1350 -338392.7942 23354.5913 0.0000 0.0000 44683.7031 -222418.0729 162.5470 -267101.7761 -222043.5371 162.5470 -2048.3338 -2342.4667 921491.4634 -2048.3338 -2342.4667
ENERGY: 454 20248.3380 20654.1375 5720.2217 172.3637 -337567.1422 23320.6907 0.0000 0.0000 45008.1465 -222443.2441 163.7273 -267451.3906 -222041.8391 163.7273 -1453.4577 -2293.1449 921491.4634 -1453.4577 -2293.1449
ENERGY: 455 19486.7906 20584.7120 5718.4844 172.5169 -336790.6459 23290.4029 0.0000 0.0000 45086.5789 -222451.1603 164.0126 -267537.7391 -222040.8569 164.0126 -1151.8822 -2255.8571 921491.4634 -1151.8822 -2255.8571
ENERGY: 456 19493.3722 20440.6800 5717.7556 173.4248 -336350.1084 23274.9637 0.0000 0.0000 44811.4725 -222438.4396 163.0118 -267249.9121 -222055.3487 163.0118 -1305.5002 -2245.5822 921491.4634 -1305.5002 -2245.5822
ENERGY: 457 20047.4930 20251.9435 5718.5580 174.9241 -336395.8173 23277.8280 0.0000 0.0000 44521.8704 -222403.2004 161.9583 -266925.0707 -222049.4134 161.9583 -1906.4164 -2263.5012 921491.4634 -1906.4164 -2263.5012
ENERGY: 458 20585.8436 20019.2724 5720.7061 176.6081 -336835.0968 23294.7178 0.0000 0.0000 44632.7888 -222405.1601 162.3618 -267037.9488 -222051.2824 162.3618 -2684.6987 -2301.0426 921491.4634 -2684.6987 -2301.0426
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TIMING: 460 CPU: 216.241, 0.457482/step Wall: 216.241, 0.457482/step, 0.00508314 hours remaining, 3221.898438 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 21262.6141 19597.9065 5728.0971 179.4910 -338014.3776 23341.8006 0.0000 0.0000 45423.8564 -222480.6119 165.2395 -267904.4683 -222064.6838 165.2395 -3669.8204 -2365.2412 921491.4634 -3669.8204 -2365.2412
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ENERGY: 462 22264.2257 19487.8109 5736.4822 180.9531 -337988.7176 23351.1090 0.0000 0.0000 44559.9291 -222408.2077 162.0968 -266968.1367 -222056.7216 162.0968 -2954.8202 -2323.4251 921491.4634 -2954.8202 -2323.4251
ENERGY: 463 21821.1791 19513.9014 5738.9361 181.1160 -337284.1034 23326.9481 0.0000 0.0000 44313.4572 -222388.5655 161.2002 -266702.0227 -222054.6244 161.2002 -2012.4424 -2264.0779 921491.4634 -2012.4424 -2264.0779
ENERGY: 464 20535.2459 19559.9270 5739.2518 181.0096 -336389.3845 23291.1945 0.0000 0.0000 44654.0270 -222428.7287 162.4391 -267082.7556 -222058.5731 162.4391 -1050.9226 -2205.5269 921491.4634 -1050.9226 -2205.5269
ENERGY: 465 19322.7827 19631.8852 5737.2899 180.7155 -335701.1538 23259.7395 0.0000 0.0000 45094.5691 -222474.1721 164.0416 -267568.7412 -222052.9390 164.0416 -512.3345 -2174.4009 921491.4634 -512.3345 -2174.4009
ENERGY: 466 19088.4512 19708.3579 5733.2107 180.2808 -335443.7731 23245.0607 0.0000 0.0000 45020.7910 -222467.6208 163.7733 -267488.4118 -222052.9787 163.7733 -630.3313 -2182.6711 921491.4634 -630.3313 -2182.6711
ENERGY: 467 19841.8071 19783.1742 5727.6704 179.7757 -335721.0957 23249.4532 0.0000 0.0000 44523.6666 -222415.5484 161.9649 -266939.2151 -222054.3497 161.9649 -1393.6030 -2232.5925 921491.4634 -1393.6030 -2232.5925
ENERGY: 468 20761.8483 19845.4944 5721.5089 179.2779 -336451.5673 23265.8128 0.0000 0.0000 44291.6586 -222385.9664 161.1209 -266677.6250 -222056.3592 161.1209 -2508.6716 -2314.1341 921491.4634 -2508.6716 -2314.1341
ENERGY: 469 21236.3017 19910.2024 5715.6824 178.8504 -337458.3209 23284.3964 0.0000 0.0000 44720.3202 -222412.5674 162.6802 -267132.8876 -222046.0752 162.6802 -3596.7409 -2405.7973 921491.4634 -3596.7409 -2405.7973
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1733 19972.8937 5710.9491 178.5947 -338383.2514 23297.0675 0.0000 0.0000 45346.4574 -222466.1158 164.9579 -267812.5732 -222047.6090 164.9579 -4259.6999 -2477.6832 921491.4634 -4259.6999 -2477.6832
ENERGY: 471 21732.8679 20054.6837 5707.9626 178.5890 -338913.2459 23297.5087 0.0000 0.0000 45471.3367 -222470.2972 165.4122 -267941.6339 -222047.5361 165.4122 -4290.5686 -2504.3177 921491.4634 -4290.5686 -2504.3177
ENERGY: 472 22081.2361 20161.5552 5707.0091 178.9047 -338870.6772 23279.4493 0.0000 0.0000 45028.5299 -222433.9929 163.8014 -267462.5229 -222059.5058 163.8014 -3659.7361 -2479.9184 921491.4634 -3659.7361 -2479.9184
ENERGY: 473 21866.1361 20289.3425 5707.9843 179.6165 -338307.7196 23240.7365 0.0000 0.0000 44634.5179 -222389.3859 162.3681 -267023.9038 -222043.8540 162.3681 -2556.3615 -2408.1658 921491.4634 -2556.3615 -2408.1658
ENERGY: 474 20842.9702 20372.0984 5710.2160 180.7466 -337438.4557 23189.2349 0.0000 0.0000 44733.2313 -222409.9582 162.7272 -267143.1895 -222041.2620 162.7272 -1295.5523 -2316.2729 921491.4634 -1295.5523 -2316.2729
ENERGY: 475 19674.2080 20371.7671 5712.9876 182.2512 -336604.2318 23142.3818 0.0000 0.0000 45070.2144 -222450.4216 163.9531 -267520.6361 -222039.4530 163.9531 -344.6448 -2232.2126 921491.4634 -344.6448 -2232.2126
ENERGY: 476 19235.7863 20282.0273 5715.7683 184.0125 -336100.0910 23115.8467 0.0000 0.0000 45106.0638 -222460.5862 164.0835 -267566.6500 -222053.6138 164.0835 -92.4049 -2183.0653 921491.4634 -92.4049 -2183.0653
ENERGY: 477 19704.7251 20145.9813 5718.4976 185.9230 -336101.8798 23114.2940 0.0000 0.0000 44812.3213 -222420.1375 163.0149 -267232.4588 -222044.8412 163.0149 -667.4946 -2171.8229 921491.4634 -667.4946 -2171.8229
ENERGY: 478 20493.4777 19974.7639 5721.0254 187.7262 -336537.4047 23131.2460 0.0000 0.0000 44627.0339 -222402.1315 162.3409 -267029.1654 -222047.4107 162.3409 -1807.1606 -2198.7957 921491.4634 -1807.1606 -2198.7957
ENERGY: 479 21125.3059 19793.3957 5723.3295 189.2099 -337215.5851 23156.6772 0.0000 0.0000 44802.1585 -222425.5083 162.9779 -267227.6668 -222050.5461 162.9779 -3089.8518 -2246.7918 921491.4634 -3089.8518 -2246.7918
TIMING: 480 CPU: 225.39, 0.45746/step Wall: 225.39, 0.45746/step, 0.00254144 hours remaining, 3221.898438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0330 19623.1966 5725.3111 190.1901 -337854.6799 23181.5118 0.0000 0.0000 45051.6822 -222458.7552 163.8856 -267510.4374 -222064.6211 163.8856 -4077.7329 -2291.4893 921491.4634 -4077.7329 -2291.4893
ENERGY: 481 22092.4856 19510.0433 5727.0952 190.6351 -338199.2495 23196.7958 0.0000 0.0000 45041.3378 -222440.8565 163.8480 -267482.1943 -222052.5267 163.8480 -4466.2396 -2305.6734 921491.4634 -4466.2396 -2305.6734
ENERGY: 482 22186.3468 19466.6794 5728.4964 190.3598 -338044.5432 23192.7473 0.0000 0.0000 44865.8534 -222414.0602 163.2096 -267279.9136 -222051.4114 163.2096 -4059.3099 -2278.0616 921491.4634 -4059.3099 -2278.0616
ENERGY: 483 21553.1412 19511.5744 5729.5660 189.3227 -337426.2199 23165.8739 0.0000 0.0000 44861.8985 -222414.8432 163.1953 -267276.7417 -222048.7674 163.1953 -2964.1722 -2216.4117 921491.4634 -2964.1722 -2216.4117
ENERGY: 484 20460.8925 19631.1939 5730.2465 187.5455 -336590.8897 23126.1350 0.0000 0.0000 45003.6047 -222451.2717 163.7107 -267454.8764 -222059.8741 163.7107 -1565.2424 -2143.1851 921491.4634 -1565.2424 -2143.1851
ENERGY: 485 19688.7721 19800.2992 5730.5256 185.2458 -335902.5879 23092.8469 0.0000 0.0000 44955.5738 -222449.3245 163.5360 -267404.8983 -222045.9605 163.5360 -422.1569 -2086.8737 921491.4634 -422.1569 -2086.8737
ENERGY: 486 19602.5429 19954.8179 5729.7198 182.4662 -335612.3581 23080.3806 0.0000 0.0000 44645.9127 -222416.5180 162.4096 -267062.4308 -222044.6759 162.4096 87.3180 -2070.0983 921491.4634 87.3180 -2070.0983
ENERGY: 487 19881.0926 20072.0217 5727.4347 179.4360 -335846.4495 23091.0543 0.0000 0.0000 44503.3504 -222392.0598 161.8910 -266895.4102 -222045.2406 161.8910 -192.2348 -2106.8841 921491.4634 -192.2348 -2106.8841
ENERGY: 488 20125.2098 20156.1366 5723.5441 176.4338 -336552.5466 23118.8615 0.0000 0.0000 44827.0567 -222425.3041 163.0685 -267252.3607 -222057.1938 163.0685 -1145.7536 -2194.6681 921491.4634 -1145.7536 -2194.6681
ENERGY: 489 20526.8872 20236.4614 5718.5749 173.8639 -337540.4669 23156.7309 0.0000 0.0000 45266.1014 -222461.8473 164.6656 -267727.9487 -222045.6085 164.6656 -2511.2406 -2316.7067 921491.4634 -2511.2406 -2316.7067
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7491 20292.9025 5712.8912 171.8438 -338458.1374 23196.4877 0.0000 0.0000 45213.5638 -222459.6993 164.4745 -267673.2631 -222048.2207 164.4745 -3823.4040 -2437.4155 921491.4634 -3823.4040 -2437.4155
ENERGY: 491 22430.4641 20312.1363 5707.3795 170.5404 -338984.5805 23226.0937 0.0000 0.0000 44733.0098 -222404.9568 162.7264 -267137.9666 -222049.4638 162.7264 -4629.6934 -2524.6215 921491.4634 -4629.6934 -2524.6215
ENERGY: 492 22612.9547 20289.6812 5702.9944 170.0207 -338937.5825 23232.7205 0.0000 0.0000 44542.1960 -222387.0150 162.0323 -266929.2109 -222060.3859 162.0323 -4606.8523 -2557.4729 921491.4634 -4606.8523 -2557.4729
ENERGY: 493 21558.2186 20260.7375 5700.7779 170.3200 -338358.0641 23214.0537 0.0000 0.0000 45033.8238 -222420.1325 163.8207 -267453.9563 -222046.5899 163.8207 -3796.3816 -2540.0995 921491.4634 -3796.3816 -2540.0995
ENERGY: 494 20068.3365 20225.0262 5700.9806 171.2193 -337454.3841 23183.0796 0.0000 0.0000 45622.2481 -222483.4938 165.9612 -268105.7419 -222044.0866 165.9612 -2500.8989 -2482.1067 921491.4634 -2500.8989 -2482.1067
ENERGY: 495 19383.2463 20186.8303 5703.5926 172.5416 -336566.9891 23159.4626 0.0000 0.0000 45484.1233 -222477.1924 165.4587 -267961.3157 -222041.5562 165.4587 -1249.6835 -2407.3054 921491.4634 -1249.6835 -2407.3054
ENERGY: 496 19722.4834 20130.6476 5708.0350 174.0933 -335998.7163 23154.2638 0.0000 0.0000 44699.5270 -222409.6662 162.6046 -267109.1932 -222049.0672 162.6046 -478.8997 -2343.4750 921491.4634 -478.8997 -2343.4750
ENERGY: 497 20212.6668 20059.9180 5713.4613 175.7242 -335952.5051 23166.3548 0.0000 0.0000 44261.0287 -222363.3513 161.0095 -266624.3800 -222042.7503 161.0095 -421.0232 -2316.7927 921491.4634 -421.0232 -2316.7927
ENERGY: 498 20182.0165 19957.1219 5718.5597 177.2604 -336366.4943 23189.3588 0.0000 0.0000 44728.2534 -222413.9236 162.7091 -267142.1770 -222044.5222 162.7091 -993.4679 -2331.6472 921491.4634 -993.4679 -2331.6472
ENERGY: 499 20158.0679 19847.7311 5722.4090 178.6361 -337058.4834 23219.2408 0.0000 0.0000 45439.2645 -222493.1342 165.2956 -267932.3986 -222047.2065 165.2956 -2020.8687 -2376.3389 921491.4634 -2020.8687 -2376.3389
Info: Benchmark time: 4 CPUs 0.457041 s/step 5.28982 days/ns 3221.9 MB memory
TIMING: 500 CPU: 234.465, 0.453745/step Wall: 234.465, 0.453745/step, 0 hours remaining, 3221.898438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8938 19756.6585 5724.4523 179.8271 -337741.4199 23251.1013 0.0000 0.0000 45359.0780 -222495.4089 165.0039 -267854.4869 -222061.0908 165.0039 -3197.5165 -2425.4139 921491.4634 -3197.5165 -2425.4139
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3227.152 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3227.152 MB of memory in use
====================================================
WallClock: 237.973618 CPUTime: 237.973618 Memory: 3227.152344 MB
[Partition 0][Node 0] End of program
Application 287091 resources: utime ~940s, stime ~13s, Rss ~126692, inblocks ~66494, outblocks ~71264
[SSH] exit-status: 0
[NAMD-Run] $ /bin/sh -xe /tmp/hudson4106908679381642502.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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