Skipping 712 KB..
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 54.2716
LDB: Largest compute 200 load 0.430158 is 1.2% of average load 36.818698
LDB: Average compute 0.051574 is 0.1% of average load 36.818698
LDB: Partitioning computes with target load 3.681870
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055983
LDB: ============== END OF LOAD BALANCING =============== 54.2738
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2746
Info: Initial time: 4 CPUs 0.472764 s/step 5.47181 days/ns 3221.6 MB memory
TIMING: 100 CPU: 48.2485, 0.471778/step Wall: 48.2485, 0.471778/step, 0.0524198 hours remaining, 3221.601562 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 63.6919
LDB: ============== END OF LOAD BALANCING =============== 63.692
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.6925
TIMING: 120 CPU: 57.6666, 0.470904/step Wall: 57.6666, 0.470904/step, 0.0497065 hours remaining, 3221.777344 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: 140 CPU: 67.0765, 0.470498/step Wall: 67.0765, 0.470498/step, 0.0470498 hours remaining, 3222.058594 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: 160 CPU: 76.4765, 0.469999/step Wall: 76.4765, 0.469999/step, 0.0443888 hours remaining, 3222.242188 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 22512.8126 18508.1492 5697.2826 183.0024 -333202.6497 20887.8857 0.0000 0.0000 43070.6068 -222342.9104 156.6790 -265413.5172 -222161.4906 156.6790 -5004.1555 -2859.8871 921491.4634 -5004.1555 -2859.8871
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 178 21917.7898 18733.9559 5737.6245 154.5770 -332975.2973 21015.2133 0.0000 0.0000 43101.1545 -222314.9823 156.7902 -265416.1369 -222126.1320 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
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TIMING: 180 CPU: 85.8667, 0.469507/step Wall: 85.8667, 0.469507/step, 0.0417339 hours remaining, 3222.242188 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 186 19266.0405 19234.9572 5686.4352 181.9571 -332240.0938 21043.7459 0.0000 0.0000 44391.5888 -222435.3691 161.4844 -266826.9579 -222129.2888 161.4844 -2596.4732 -2731.4264 921491.4634 -2596.4732 -2731.4264
ENERGY: 187 22073.2966 19471.4305 5678.7398 184.6336 -333156.1127 21076.9264 0.0000 0.0000 42449.0057 -222222.0801 154.4178 -264671.0858 -222130.9080 154.4178 -3641.8535 -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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LDB: ============= START OF LOAD BALANCING ============== 101.283
LDB: Largest compute 200 load 0.424336 is 1.2% of average load 36.636000
LDB: Average compute 0.051317 is 0.1% of average load 36.636000
LDB: TIME 101.285 LOAD: AVG 36.636 MAX 37.5903 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.62 MB
LDB: TIME 101.287 LOAD: AVG 36.636 MAX 37.4896 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.62 MB
LDB: ============== END OF LOAD BALANCING =============== 101.289
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.292
Info: Initial time: 4 CPUs 0.470039 s/step 5.44026 days/ns 3223.79 MB memory
TIMING: 200 CPU: 95.2622, 0.469777/step Wall: 95.2622, 0.469777/step, 0.0391481 hours remaining, 3223.785156 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: 203 20743.8946 19130.0390 5729.2400 192.0764 -333501.9373 21215.8254 0.0000 0.0000 44059.6987 -222431.1633 160.2771 -266490.8620 -222093.6425 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
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ENERGY: 208 20293.2701 20371.8906 5718.1572 182.8654 -334789.2378 21322.2410 0.0000 0.0000 44428.6271 -222472.1865 161.6191 -266900.8135 -222122.6314 161.6191 -3669.0641 -2719.7951 921491.4634 -3669.0641 -2719.7951
ENERGY: 209 19428.8170 20325.0061 5710.3389 180.5135 -335910.2414 21349.5044 0.0000 0.0000 46273.6801 -222642.3815 168.3309 -268916.0616 -222106.7900 168.3309 -5197.7273 -2836.6305 921491.4634 -5197.7273 -2836.6305
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1735 20194.2570 5705.3139 178.4614 -336615.7770 21385.1096 0.0000 0.0000 45251.4335 -222516.0281 164.6123 -267767.4615 -222108.2015 164.6123 -6091.3662 -2896.2626 921491.4634 -6091.3662 -2896.2626
ENERGY: 211 24099.1929 19985.8633 5704.9373 176.9105 -336667.8929 21415.1477 0.0000 0.0000 43031.7285 -222254.1128 156.5376 -265285.8413 -222106.8541 156.5376 -5900.2978 -2885.1009 921491.4634 -5900.2978 -2885.1009
ENERGY: 212 23739.2710 19730.8223 5710.0295 176.0352 -336013.6228 21412.5983 0.0000 0.0000 42995.1639 -222249.7025 156.4046 -265244.8664 -222104.2317 156.4046 -4424.1003 -2820.3210 921491.4634 -4424.1003 -2820.3210
ENERGY: 213 20150.2161 19524.5248 5720.1722 175.9508 -334874.6444 21380.5552 0.0000 0.0000 45418.7806 -222504.4446 165.2210 -267923.2252 -222097.3834 165.2210 -2174.3118 -2725.0840 921491.4634 -2174.3118 -2725.0840
ENERGY: 214 17315.5529 19421.7448 5733.3059 176.6827 -333645.3936 21358.4486 0.0000 0.0000 46958.4703 -222681.1884 170.8220 -269639.6587 -222093.7406 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5056 19441.9742 5746.5772 178.1492 -332787.3321 21379.5597 0.0000 0.0000 45302.6746 -222527.8916 164.7987 -267830.5662 -222091.0446 164.7987 784.0015 -2554.0367 921491.4634 784.0015 -2554.0367
ENERGY: 216 20973.4717 19522.5061 5756.9571 180.1770 -332560.1060 21436.4836 0.0000 0.0000 42442.1787 -222248.3317 154.3930 -264690.5105 -222073.6155 154.3930 420.9903 -2541.5428 921491.4634 420.9903 -2541.5428
ENERGY: 217 21778.3866 19581.4819 5762.2416 182.5517 -333010.6756 21497.2706 0.0000 0.0000 41983.6750 -222225.0682 152.7251 -264208.7432 -222064.4464 152.7251 -882.1697 -2598.7243 921491.4634 -882.1697 -2598.7243
ENERGY: 218 20165.9156 19540.0890 5761.2415 184.9927 -333856.1146 21546.6561 0.0000 0.0000 44178.6836 -222478.5360 160.7099 -266657.2197 -222068.8155 160.7099 -2628.0651 -2703.9746 921491.4634 -2628.0651 -2703.9746
ENERGY: 219 19429.8639 19413.3931 5754.3577 187.2447 -334778.0708 21596.8809 0.0000 0.0000 45751.9298 -222644.4007 166.4329 -268396.3305 -222073.1720 166.4329 -4457.7331 -2810.5236 921491.4634 -4457.7331 -2810.5236
TIMING: 220 CPU: 104.675, 0.470656/step Wall: 104.675, 0.470656/step, 0.0366066 hours remaining, 3223.785156 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 19260.1136 5743.1672 189.1021 -335473.8433 21655.3185 0.0000 0.0000 44539.5739 -222505.6536 162.0227 -267045.2275 -222092.6290 162.0227 -5898.3512 -2876.6577 921491.4634 -5898.3512 -2876.6577
ENERGY: 221 24234.7392 19146.8279 5730.1601 190.4777 -335718.7277 21699.4245 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 191.2894 -335388.9916 21700.3078 0.0000 0.0000 42702.0390 -222256.7344 155.3383 -264958.7734 -222075.6639 155.3383 -5368.7280 -2838.7017 921491.4634 -5368.7280 -2838.7017
ENERGY: 223 20286.4336 19110.8427 5708.3528 191.5579 -334633.3916 21665.5243 0.0000 0.0000 45168.7533 -222501.9271 164.3115 -267670.6803 -222072.2458 164.3115 -3322.8077 -2753.9475 921491.4634 -3322.8077 -2753.9475
ENERGY: 224 17721.9818 19276.3018 5703.4616 191.3517 -333831.1561 21637.4894 0.0000 0.0000 46650.8781 -222649.6917 169.7031 -269300.5698 -222098.2846 169.7031 -1151.0970 -2650.6854 921491.4634 -1151.0970 -2650.6854
ENERGY: 225 18451.5609 19639.7350 5703.5482 190.8347 -333424.4649 21647.4589 0.0000 0.0000 45301.5805 -222489.7468 164.7947 -267791.3273 -222079.9379 164.7947 226.2573 -2563.9720 921491.4634 226.2573 -2563.9720
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ENERGY: 227 21011.1675 20670.4534 5712.3895 189.0769 -334317.7222 21728.2284 0.0000 0.0000 42721.7944 -222284.6119 155.4101 -265006.4063 -222080.2097 155.4101 -104.6488 -2553.6074 921491.4634 -104.6488 -2553.6074
ENERGY: 228 19866.2927 21035.8346 5716.6482 188.0080 -335312.4267 21761.2924 0.0000 0.0000 44242.5385 -222501.8121 160.9422 -266744.3506 -222102.7890 160.9422 -1440.0180 -2625.9672 921491.4634 -1440.0180 -2625.9672
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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 20926.2539 5717.1889 185.9786 -336838.6564 21834.6451 0.0000 0.0000 43751.0551 -222424.2892 159.1543 -266175.3442 -222088.6907 159.1543 -4902.3779 -2766.0556 921491.4634 -4902.3779 -2766.0556
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ENERGY: 232 22812.6531 19886.6601 5707.7133 183.7520 -336072.1015 21820.0136 0.0000 0.0000 43315.5693 -222345.7400 157.5701 -265661.3094 -222098.2753 157.5701 -5301.5937 -2731.4985 921491.4634 -5301.5937 -2731.4985
ENERGY: 233 20035.6404 19318.2042 5703.4910 182.6157 -334889.2830 21760.7377 0.0000 0.0000 45350.0989 -222538.4952 164.9712 -267888.5940 -222089.6821 164.9712 -3899.2117 -2646.7386 921491.4634 -3899.2117 -2646.7386
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ENERGY: 236 20566.0777 18629.0999 5714.2865 178.3391 -332585.8844 21721.5013 0.0000 0.0000 43477.4013 -222299.1785 158.1588 -265776.5798 -222073.0117 158.1588 -108.6481 -2371.7043 921491.4634 -108.6481 -2371.7043
ENERGY: 237 20196.0057 18940.2030 5726.8243 176.7459 -333068.3182 21749.0157 0.0000 0.0000 43898.3780 -222381.1458 159.6902 -266279.5237 -222063.3603 159.6902 -172.1586 -2373.2011 921491.4634 -172.1586 -2373.2011
ENERGY: 238 19419.4411 19404.0884 5740.6977 175.0128 -333964.3149 21778.9044 0.0000 0.0000 44901.2437 -222544.9268 163.3384 -267446.1705 -222065.9776 163.3384 -987.6011 -2425.5309 921491.4634 -987.6011 -2425.5309
ENERGY: 239 20428.8615 19846.5440 5752.8836 173.1946 -334966.8376 21816.7509 0.0000 0.0000 44416.4634 -222532.1395 161.5749 -266948.6029 -222068.9823 161.5749 -2385.1779 -2499.0795 921491.4634 -2385.1779 -2499.0795
TIMING: 240 CPU: 114.08, 0.470257/step Wall: 114.08, 0.470257/step, 0.033963 hours remaining, 3223.785156 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 22861.0420 20119.9135 5760.6910 171.4213 -335766.3626 21854.4254 0.0000 0.0000 42641.4776 -222357.3919 155.1180 -264998.8694 -222074.0952 155.1180 -3844.9084 -2568.3896 921491.4634 -3844.9084 -2568.3896
ENERGY: 241 23920.0053 20195.4874 5762.7124 169.9828 -336129.3253 21865.1033 0.0000 0.0000 41957.8936 -222258.1406 152.6313 -264216.0342 -222063.9158 152.6313 -4724.4491 -2616.3453 921491.4634 -4724.4491 -2616.3453
ENERGY: 242 22110.7717 20111.8210 5758.5348 169.0441 -335904.8199 21831.0568 0.0000 0.0000 43526.8720 -222396.7195 158.3388 -265923.5915 -222063.5735 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3621 19969.6447 5749.3614 168.8705 -335233.7071 21770.4749 0.0000 0.0000 45537.0691 -222575.9245 165.6513 -268112.9935 -222061.6673 165.6513 -3760.4506 -2614.6992 921491.4634 -3760.4506 -2614.6992
ENERGY: 244 18822.2465 19849.3937 5737.4544 169.6534 -334482.6012 21720.5677 0.0000 0.0000 45629.1662 -222554.1193 165.9864 -268183.2855 -222078.7769 165.9864 -2667.7299 -2573.2150 921491.4634 -2667.7299 -2573.2150
ENERGY: 245 20148.2369 19811.7602 5725.7785 171.4559 -334087.5949 21701.2471 0.0000 0.0000 44168.5247 -222360.5916 160.6730 -266529.1163 -222068.6364 160.6730 -1771.6902 -2533.5455 921491.4634 -1771.6902 -2533.5455
ENERGY: 246 20878.5481 19853.7027 5716.8932 174.1558 -334213.1207 21705.0851 0.0000 0.0000 43600.4181 -222284.3177 158.6063 -265884.7358 -222067.4294 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5285 19979.6442 5712.7400 177.5412 -334802.1843 21719.8455 0.0000 0.0000 44912.1912 -222431.6936 163.3782 -267343.8848 -222068.1393 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4923 20164.4298 5713.8450 181.3144 -335623.1354 21746.4311 0.0000 0.0000 46185.9362 -222595.6865 168.0117 -268781.6227 -222090.3126 168.0117 -1359.1245 -2608.3066 921491.4634 -1359.1245 -2608.3066
ENERGY: 249 20484.3304 20353.6194 5719.1623 185.0800 -336433.0067 21788.9034 0.0000 0.0000 45370.8152 -222531.0958 165.0466 -267901.9111 -222082.9710 165.0466 -2308.0285 -2671.2385 921491.4634 -2308.0285 -2671.2385
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 250 23155.2057 20422.5256 5726.1009 188.5682 -336907.4409 21832.9290 0.0000 0.0000 43252.1659 -222329.9456 157.3395 -265582.1115 -222084.2878 157.3395 -3365.2094 -2722.3879 921491.4634 -3365.2094 -2722.3879
ENERGY: 251 24002.1398 20302.5995 5731.6573 191.5295 -336816.8448 21849.8674 0.0000 0.0000 42475.2393 -222263.8120 154.5132 -264739.0513 -222084.8989 154.5132 -3958.0339 -2753.0723 921491.4634 -3958.0339 -2753.0723
ENERGY: 252 21994.9042 20013.1597 5733.2541 193.8023 -336093.2677 21826.9296 0.0000 0.0000 43905.3722 -222425.8456 159.7157 -266331.2178 -222091.3305 159.7157 -3843.4682 -2758.0338 921491.4634 -3843.4682 -2758.0338
ENERGY: 253 19499.8638 19667.1120 5729.5496 195.2411 -334977.1807 21784.0537 0.0000 0.0000 45520.0193 -222581.3412 165.5893 -268101.3605 -222082.7205 165.5893 -3300.1274 -2735.8132 921491.4634 -3300.1274 -2735.8132
ENERGY: 254 19073.0882 19348.2293 5720.5008 195.9622 -333839.8798 21752.6525 0.0000 0.0000 45220.9196 -222528.5272 164.5013 -267749.4468 -222080.4686 164.5013 -2707.1338 -2696.1701 921491.4634 -2707.1338 -2696.1701
ENERGY: 255 20324.2312 19109.4099 5707.6062 196.0621 -333099.9232 21746.1516 0.0000 0.0000 43667.4212 -222349.0410 158.8501 -266016.4622 -222078.3976 158.8501 -2282.5425 -2662.7814 921491.4634 -2282.5425 -2662.7814
ENERGY: 256 20899.4410 18950.9576 5693.4518 195.6570 -332975.5970 21757.6848 0.0000 0.0000 43181.1612 -222297.2436 157.0812 -265478.4049 -222071.2738 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5652 18878.1872 5681.1759 194.7976 -333481.0037 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 19453.5865 18882.0666 5673.2911 193.6684 -334373.1543 21817.5078 0.0000 0.0000 45796.2579 -222556.7760 166.5942 -268353.0339 -222062.0606 166.5942 -2331.2327 -2737.1920 921491.4634 -2331.2327 -2737.1920
ENERGY: 259 20717.7708 18984.1030 5671.3007 192.3773 -335369.5276 21871.0066 0.0000 0.0000 45431.1555 -222501.8137 165.2661 -267932.9692 -222063.7305 165.2661 -2890.3670 -2780.4961 921491.4634 -2890.3670 -2780.4961
TIMING: 260 CPU: 123.477, 0.469804/step Wall: 123.477, 0.469804/step, 0.0313202 hours remaining, 3224.089844 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 -336169.7729 21924.7894 0.0000 0.0000 44083.4305 -222362.1256 160.3634 -266445.5561 -222069.6812 160.3634 -3407.4793 -2810.9878 921491.4634 -3407.4793 -2810.9878
ENERGY: 261 23215.5573 19485.4657 5683.6413 189.7700 -336523.9802 21953.3902 0.0000 0.0000 43676.0234 -222320.1323 158.8814 -265996.1556 -222052.8236 158.8814 -3555.3694 -2822.8648 921491.4634 -3555.3694 -2822.8648
ENERGY: 262 21606.2724 19814.6779 5694.0656 188.7122 -336291.7862 21947.6074 0.0000 0.0000 44601.6347 -222438.8160 162.2485 -267040.4506 -222052.4322 162.2485 -3214.7560 -2810.4637 921491.4634 -3214.7560 -2810.4637
ENERGY: 263 19781.1228 20140.5624 5703.8103 187.9445 -335614.9716 21924.4740 0.0000 0.0000 45349.7772 -222527.2804 164.9700 -267877.0575 -222051.1547 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2261 20436.4308 5710.6950 187.5052 -334855.9515 21907.7773 0.0000 0.0000 44751.4784 -222476.8388 162.7936 -267228.3172 -222069.1983 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
ENERGY: 265 19946.8416 20681.9928 5713.6241 187.4392 -334395.6635 21906.0164 0.0000 0.0000 43607.6373 -222352.1120 158.6326 -265959.7494 -222054.3371 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7899 20788.8702 5712.1327 187.6137 -334399.4579 21914.4805 0.0000 0.0000 43399.3796 -222348.1912 157.8750 -265747.5708 -222054.3634 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0905 20691.2680 5707.0583 187.8501 -334831.4857 21930.8374 0.0000 0.0000 44220.2169 -222446.1646 160.8610 -266666.3814 -222055.6584 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9159 20375.7516 5700.1930 187.9286 -335513.7450 21959.1257 0.0000 0.0000 44823.5378 -222504.2924 163.0557 -267327.8302 -222075.9875 163.0557 -2903.2124 -2658.6181 921491.4634 -2903.2124 -2658.6181
ENERGY: 269 21396.7812 19927.1702 5694.0390 187.7639 -336221.0662 21997.2161 0.0000 0.0000 44586.5099 -222431.5858 162.1935 -267018.0957 -222066.1973 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 19450.9166 5690.3173 187.1618 -336650.6775 22028.8071 0.0000 0.0000 44308.0076 -222365.2738 161.1804 -266673.2813 -222067.0434 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
ENERGY: 271 22345.5823 19078.8064 5690.0209 186.1610 -336571.7892 22035.2501 0.0000 0.0000 44829.4474 -222406.5212 163.0772 -267235.9685 -222066.8386 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5584 18896.0660 5692.8269 184.9335 -335921.4612 22015.0580 0.0000 0.0000 45607.7078 -222503.3107 165.9083 -268111.0185 -222081.1569 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9079 5697.5118 183.8526 -334925.7010 21985.5296 0.0000 0.0000 45502.7163 -222499.9692 165.5264 -268002.6855 -222069.0456 165.5264 -1837.1975 -2434.6759 921491.4634 -1837.1975 -2434.6759
ENERGY: 274 20074.7418 19121.4861 5701.6806 183.0070 -333931.6256 21965.2977 0.0000 0.0000 44478.5177 -222406.8949 161.8006 -266885.4125 -222066.8025 161.8006 -1366.5213 -2384.6634 921491.4634 -1366.5213 -2384.6634
ENERGY: 275 20005.4319 19374.0680 5703.3424 182.5376 -333318.5603 21960.8300 0.0000 0.0000 43741.9684 -222350.3821 159.1213 -266092.3505 -222065.7689 159.1213 -1269.7931 -2374.8868 921491.4634 -1269.7931 -2374.8868
ENERGY: 276 19401.8502 19594.7508 5701.2547 182.4904 -333292.1283 21971.0410 0.0000 0.0000 44028.5273 -222412.2139 160.1637 -266440.7413 -222072.9394 160.1637 -1580.1300 -2417.6041 921491.4634 -1580.1300 -2417.6041
ENERGY: 277 19149.2971 19724.7160 5695.5210 182.9396 -333864.3456 21997.2387 0.0000 0.0000 44632.8114 -222481.8217 162.3619 -267114.6331 -222061.0987 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4576 19713.7761 5686.9122 183.6585 -334821.1006 22041.3359 0.0000 0.0000 44532.2542 -222463.7061 161.9961 -266995.9603 -222063.4130 161.9961 -3254.8156 -2593.7697 921491.4634 -3254.8156 -2593.7697
ENERGY: 279 21984.3649 19593.9432 5677.5176 184.5187 -335888.5803 22096.4199 0.0000 0.0000 43975.0882 -222376.7278 159.9693 -266351.8160 -222065.2023 159.9693 -4044.3213 -2682.8390 921491.4634 -4044.3213 -2682.8390
TIMING: 280 CPU: 132.859, 0.469126/step Wall: 132.859, 0.469126/step, 0.0286688 hours remaining, 3224.089844 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 19458.4368 5670.0026 185.3899 -336752.6634 22145.1354 0.0000 0.0000 44066.7339 -222367.6416 160.3027 -266434.3755 -222073.4244 160.3027 -4286.3893 -2748.0546 921491.4634 -4286.3893 -2748.0546
ENERGY: 281 22172.5959 19445.1185 5667.0588 186.2206 -337154.6804 22172.1192 0.0000 0.0000 45063.2424 -222448.3250 163.9277 -267511.5674 -222064.8515 163.9277 -3881.2951 -2782.5902 921491.4634 -3881.2951 -2782.5902
ENERGY: 282 20943.7898 19615.5381 5669.9796 186.8360 -336942.5036 22176.7655 0.0000 0.0000 45823.3372 -222526.2574 166.6927 -268349.5946 -222063.3313 166.6927 -2992.3272 -2779.3668 921491.4634 -2992.3272 -2779.3668
ENERGY: 283 20432.1061 19966.6617 5678.8137 187.1634 -336251.9203 22171.0648 0.0000 0.0000 45328.8522 -222487.2584 164.8939 -267816.1105 -222060.8456 164.8939 -2008.7737 -2748.2306 921491.4634 -2008.7737 -2748.2306
ENERGY: 284 20506.4000 20401.8824 5692.0830 187.1346 -335412.6303 22166.2910 0.0000 0.0000 44071.4481 -222387.3913 160.3198 -266458.8394 -222061.5539 160.3198 -1267.2792 -2712.3902 921491.4634 -1267.2792 -2712.3902
ENERGY: 285 20203.3288 20789.9630 5707.3565 186.7145 -334827.1968 22167.0166 0.0000 0.0000 43418.2631 -222354.5544 157.9437 -265772.8175 -222053.5966 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6310 20966.5623 5721.5031 185.8230 -334658.1150 22176.6863 0.0000 0.0000 43785.6883 -222425.2211 159.2803 -266210.9094 -222054.0581 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1190 20856.7823 5731.9346 184.4714 -334918.1480 22200.2910 0.0000 0.0000 44282.9439 -222485.6058 161.0892 -266768.5497 -222055.7252 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2087 20475.2851 5736.9557 182.7335 -335468.3148 22237.9037 0.0000 0.0000 44116.9906 -222455.2374 160.4855 -266572.2280 -222066.9052 160.4855 -3310.5878 -2790.1553 921491.4634 -3310.5878 -2790.1553
ENERGY: 289 21886.4834 19928.6978 5736.1905 180.7560 -336126.9121 22279.0690 0.0000 0.0000 43733.4513 -222382.2640 159.0903 -266115.7154 -222062.2723 159.0903 -4368.9813 -2809.8749 921491.4634 -4368.9813 -2809.8749
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 290 22615.9845 19325.5265 5730.3279 178.6973 -336571.4573 22308.2174 0.0000 0.0000 44027.4235 -222385.2801 160.1597 -266412.7036 -222063.4683 160.1597 -4815.3286 -2796.0389 921491.4634 -4815.3286 -2796.0389
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LDB: ============= START OF LOAD BALANCING ============== 148.279
LDB: Largest compute 200 load 0.522485 is 1.1% of average load 45.756439
LDB: Average compute 0.064102 is 0.1% of average load 45.756439
LDB: TIME 148.28 LOAD: AVG 45.7564 MAX 46.9868 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.29 MB
LDB: TIME 148.281 LOAD: AVG 45.7564 MAX 46.9868 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.29 MB
LDB: TIME 148.286 LOAD: AVG 45.7564 MAX 46.2671 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.29 MB
LDB: ============== END OF LOAD BALANCING =============== 148.287
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.288
Info: Initial time: 4 CPUs 0.469572 s/step 5.43486 days/ns 3224.29 MB memory
TIMING: 300 CPU: 142.229, 0.468498/step Wall: 142.229, 0.468498/step, 0.0260277 hours remaining, 3224.289062 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: 302 21723.0648 20395.7911 5720.2599 184.8676 -337483.0160 22416.9293 0.0000 0.0000 44599.2672 -222442.8361 162.2399 -267042.1033 -222057.3400 162.2399 -3958.8651 -2554.2737 921491.4634 -3958.8651 -2554.2737
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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: 151.456, 0.461343/step Wall: 151.456, 0.461343/step, 0.0230672 hours remaining, 3224.289062 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: 338 21007.5744 19722.4644 5687.5590 179.5437 -335808.8620 22564.1945 0.0000 0.0000 44285.9171 -222361.6089 161.1000 -266647.5260 -222041.5958 161.1000 -1500.9497 -2462.8575 921491.4634 -1500.9497 -2462.8575
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TIMING: 340 CPU: 160.671, 0.460747/step Wall: 160.671, 0.460747/step, 0.0204776 hours remaining, 3224.289062 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: 169.883, 0.460587/step Wall: 169.883, 0.460587/step, 0.0179117 hours remaining, 3224.289062 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: 380 CPU: 179.092, 0.460476/step Wall: 179.092, 0.460476/step, 0.0153492 hours remaining, 3224.289062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 386 19981.2273 19220.9465 5707.6638 175.9385 -334865.1814 22880.7955 0.0000 0.0000 44519.8583 -222378.7516 161.9510 -266898.6099 -222051.0438 161.9510 122.6669 -2011.2428 921491.4634 122.6669 -2011.2428
ENERGY: 387 20367.2859 19202.4845 5710.9354 174.6759 -335109.8722 22905.2741 0.0000 0.0000 44377.1813 -222372.0350 161.4320 -266749.2163 -222053.0051 161.4320 -738.9584 -2019.1689 921491.4634 -738.9584 -2019.1689
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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 ============== 194.356
LDB: Largest compute 230 load 0.526435 is 1.2% of average load 45.671951
LDB: Average compute 0.063960 is 0.1% of average load 45.671951
LDB: TIME 194.358 LOAD: AVG 45.672 MAX 46.0685 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.29 MB
LDB: TIME 194.359 LOAD: AVG 45.672 MAX 46.0685 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.29 MB
LDB: TIME 194.359 LOAD: AVG 45.672 MAX 46.0685 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.29 MB
LDB: ============== END OF LOAD BALANCING =============== 194.359
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.36
Info: Benchmark time: 4 CPUs 0.460621 s/step 5.33127 days/ns 3224.29 MB memory
TIMING: 400 CPU: 188.295, 0.460161/step Wall: 188.295, 0.460161/step, 0.0127822 hours remaining, 3224.289062 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: 416 19942.3170 20661.9897 5710.0857 195.6954 -336157.5858 23063.1713 0.0000 0.0000 44200.2848 -222384.0419 160.7885 -266584.3267 -222052.9642 160.7885 -282.7615 -2224.6897 921491.4634 -282.7615 -2224.6897
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ENERGY: 418 20154.6646 20457.0911 5705.5848 188.6537 -336970.7862 23098.6725 0.0000 0.0000 44915.1420 -222450.9776 163.3889 -267366.1197 -222046.7091 163.3889 -671.8545 -2269.9922 921491.4634 -671.8545 -2269.9922
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TIMING: 420 CPU: 197.474, 0.458936/step Wall: 197.474, 0.458936/step, 0.0101986 hours remaining, 3224.289062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 427 19598.5316 19595.2901 5707.1504 168.7509 -335498.4319 23074.5005 0.0000 0.0000 44915.2779 -222438.9306 163.3894 -267354.2084 -222048.7333 163.3894 -741.9008 -2207.6354 921491.4634 -741.9008 -2207.6354
ENERGY: 428 20140.4227 19760.4173 5710.4629 168.5259 -336199.9857 23087.7675 0.0000 0.0000 44884.2598 -222448.1297 163.2766 -267332.3895 -222058.0550 163.2766 -935.5732 -2206.9586 921491.4634 -935.5732 -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 22013.9873 20024.3739 5712.1700 168.1897 -338096.9209 23149.4490 0.0000 0.0000 44626.3103 -222402.4407 162.3383 -267028.7510 -222047.3916 162.3383 -2472.2455 -2268.0466 921491.4634 -2472.2455 -2268.0466
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ENERGY: 432 21768.3705 20188.6724 5710.3547 168.1086 -338651.2105 23176.0843 0.0000 0.0000 45177.9915 -222461.6286 164.3451 -267639.6201 -222065.9059 164.3451 -3350.2744 -2296.1499 921491.4634 -3350.2744 -2296.1499
ENERGY: 433 21200.9074 20275.9664 5710.3763 168.4633 -338164.0641 23162.2907 0.0000 0.0000 45192.9288 -222453.1312 164.3995 -267646.0600 -222052.5983 164.3995 -3187.3736 -2272.1278 921491.4634 -3187.3736 -2272.1278
ENERGY: 434 20730.3415 20338.1500 5711.6061 169.3247 -337394.2707 23140.7731 0.0000 0.0000 44883.0999 -222420.9752 163.2724 -267304.0752 -222051.1463 163.2724 -2694.3112 -2227.7887 921491.4634 -2694.3112 -2227.7887
ENERGY: 435 20235.2204 20362.4016 5714.0003 170.8455 -336680.6556 23123.4093 0.0000 0.0000 44675.9839 -222398.7945 162.5190 -267074.7784 -222049.5890 162.5190 -2061.3587 -2179.8953 921491.4634 -2061.3587 -2179.8953
ENERGY: 436 19670.9244 20349.9983 5717.2345 173.0864 -336303.8812 23119.9073 0.0000 0.0000 44847.0984 -222425.6318 163.1414 -267272.7302 -222059.6960 163.1414 -1520.6601 -2145.1618 921491.4634 -1520.6601 -2145.1618
ENERGY: 437 19434.5516 20329.5094 5720.9894 175.9827 -336411.9783 23136.3863 0.0000 0.0000 45159.2688 -222455.2902 164.2770 -267614.5590 -222050.7504 164.2770 -1319.1170 -2134.4850 921491.4634 -1319.1170 -2134.4850
ENERGY: 438 19935.1532 20278.6097 5724.6884 179.3849 -336899.4575 23173.5514 0.0000 0.0000 45148.1325 -222459.9375 164.2365 -267608.0700 -222051.5670 164.2365 -1493.0941 -2145.0882 921491.4634 -1493.0941 -2145.0882
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TIMING: 440 CPU: 206.647, 0.458661/step Wall: 206.647, 0.458661/step, 0.00764435 hours remaining, 3224.289062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5684 20036.2372 5729.7527 186.7202 -338123.1802 23276.2481 0.0000 0.0000 44417.5461 -222405.1076 161.5788 -266822.6537 -222059.4770 161.5788 -2408.4609 -2197.9671 921491.4634 -2408.4609 -2197.9671
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ENERGY: 442 21853.6118 19664.5350 5729.4854 192.9412 -338090.1531 23327.1563 0.0000 0.0000 44880.6324 -222441.7911 163.2634 -267322.4235 -222049.7752 163.2634 -2710.5576 -2229.0696 921491.4634 -2710.5576 -2229.0696
ENERGY: 443 21064.3317 19487.0724 5727.6164 194.9329 -337369.3150 23320.0153 0.0000 0.0000 45118.1110 -222457.2351 164.1273 -267575.3462 -222048.5993 164.1273 -2448.1650 -2220.3531 921491.4634 -2448.1650 -2220.3531
ENERGY: 444 20449.3366 19357.2692 5725.4095 195.8735 -336464.1927 23301.5272 0.0000 0.0000 44987.7179 -222447.0588 163.6530 -267434.7767 -222057.9798 163.6530 -2090.2103 -2206.4400 921491.4634 -2090.2103 -2206.4400
ENERGY: 445 20125.5612 19307.2520 5723.6513 195.6942 -335759.3919 23283.8134 0.0000 0.0000 44708.7156 -222414.7042 162.6380 -267123.4198 -222046.5429 162.6380 -1846.9630 -2201.6926 921491.4634 -1846.9630 -2201.6926
ENERGY: 446 19947.6807 19324.9009 5722.5430 194.3235 -335494.5714 23276.0447 0.0000 0.0000 44620.2947 -222408.7839 162.3164 -267029.0787 -222046.1621 162.3164 -1800.7520 -2216.7294 921491.4634 -1800.7520 -2216.7294
ENERGY: 447 19914.2849 19416.0213 5722.2107 191.8641 -335769.4406 23282.7454 0.0000 0.0000 44816.5091 -222425.8050 163.0301 -267242.3141 -222046.8343 163.0301 -1993.3112 -2253.0604 921491.4634 -1993.3112 -2253.0604
ENERGY: 448 20187.5921 19583.6803 5722.5765 188.5554 -336503.1807 23303.8901 0.0000 0.0000 45065.6677 -222451.2186 163.9365 -267516.8864 -222059.3482 163.9365 -2372.1878 -2303.7900 921491.4634 -2372.1878 -2303.7900
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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: 450 21754.4854 20108.1302 5724.4776 181.0897 -338419.3256 23364.6241 0.0000 0.0000 44854.3098 -222432.2087 163.1677 -267286.5186 -222048.7861 163.1677 -3116.6755 -2394.3898 921491.4634 -3116.6755 -2394.3898
ENERGY: 451 22355.5902 20357.7257 5724.7144 177.6517 -338952.0916 23381.8006 0.0000 0.0000 44542.6989 -222411.9101 162.0341 -266954.6090 -222048.8247 162.0341 -3074.2533 -2405.7799 921491.4634 -3074.2533 -2405.7799
ENERGY: 452 22246.2015 20536.0137 5723.8953 174.8859 -338927.1548 23378.0943 0.0000 0.0000 44452.9198 -222415.1442 161.7075 -266868.0640 -222059.6373 161.7075 -2659.9608 -2384.7570 921491.4634 -2659.9608 -2384.7570
ENERGY: 453 21399.8729 20641.1314 5722.2879 173.1350 -338392.7945 23354.5908 0.0000 0.0000 44683.7033 -222418.0733 162.5470 -267101.7766 -222043.5374 162.5470 -2048.3343 -2342.4670 921491.4634 -2048.3343 -2342.4670
ENERGY: 454 20248.3386 20654.1378 5720.2218 172.3637 -337567.1426 23320.6903 0.0000 0.0000 45008.1461 -222443.2444 163.7273 -267451.3905 -222041.8394 163.7273 -1453.4584 -2293.1452 921491.4634 -1453.4584 -2293.1452
ENERGY: 455 19486.7911 20584.7124 5718.4844 172.5169 -336790.6463 23290.4025 0.0000 0.0000 45086.5783 -222451.1606 164.0126 -267537.7389 -222040.8573 164.0126 -1151.8829 -2255.8573 921491.4634 -1151.8829 -2255.8573
ENERGY: 456 19493.3723 20440.6803 5717.7556 173.4248 -336350.1077 23274.9634 0.0000 0.0000 44811.4721 -222438.4392 163.0118 -267249.9113 -222055.3482 163.0118 -1305.5004 -2245.5821 921491.4634 -1305.5004 -2245.5821
ENERGY: 457 20047.4927 20251.9436 5718.5580 174.9241 -336395.8163 23277.8277 0.0000 0.0000 44521.8703 -222403.1999 161.9583 -266925.0701 -222049.4129 161.9583 -1906.4162 -2263.5011 921491.4634 -1906.4162 -2263.5011
ENERGY: 458 20585.8432 20019.2723 5720.7061 176.6081 -336835.0956 23294.7176 0.0000 0.0000 44632.7887 -222405.1596 162.3618 -267037.9482 -222051.2818 162.3618 -2684.6982 -2301.0425 921491.4634 -2684.6982 -2301.0425
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TIMING: 460 CPU: 215.807, 0.458013/step Wall: 215.807, 0.458013/step, 0.00508903 hours remaining, 3224.289062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6139 19597.9064 5728.0972 179.4910 -338014.3769 23341.8005 0.0000 0.0000 45423.8563 -222480.6117 165.2395 -267904.4679 -222064.6836 165.2395 -3669.8198 -2365.2411 921491.4634 -3669.8198 -2365.2411
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ENERGY: 462 22264.2257 19487.8112 5736.4823 180.9531 -337988.7176 23351.1091 0.0000 0.0000 44559.9288 -222408.2075 162.0968 -266968.1362 -222056.7214 162.0968 -2954.8201 -2323.4250 921491.4634 -2954.8201 -2323.4250
ENERGY: 463 21821.1794 19513.9021 5738.9361 181.1160 -337284.1036 23326.9482 0.0000 0.0000 44313.4565 -222388.5652 161.2002 -266702.0217 -222054.6242 161.2002 -2012.4426 -2264.0777 921491.4634 -2012.4426 -2264.0777
ENERGY: 464 20535.2465 19559.9279 5739.2518 181.0096 -336389.3848 23291.1946 0.0000 0.0000 44654.0258 -222428.7285 162.4391 -267082.7543 -222058.5730 162.4391 -1050.9231 -2205.5268 921491.4634 -1050.9231 -2205.5268
ENERGY: 465 19322.7831 19631.8861 5737.2899 180.7155 -335701.1541 23259.7396 0.0000 0.0000 45094.5679 -222474.1720 164.0416 -267568.7399 -222052.9389 164.0416 -512.3349 -2174.4008 921491.4634 -512.3349 -2174.4008
ENERGY: 466 19088.4511 19708.3587 5733.2107 180.2808 -335443.7730 23245.0608 0.0000 0.0000 45020.7901 -222467.6207 163.7733 -267488.4108 -222052.9786 163.7733 -630.3314 -2182.6710 921491.4634 -630.3314 -2182.6710
ENERGY: 467 19841.8068 19783.1747 5727.6704 179.7757 -335721.0953 23249.4534 0.0000 0.0000 44523.6660 -222415.5483 161.9649 -266939.2143 -222054.3495 161.9649 -1393.6027 -2232.5923 921491.4634 -1393.6027 -2232.5923
ENERGY: 468 20761.8480 19845.4945 5721.5090 179.2779 -336451.5666 23265.8130 0.0000 0.0000 44291.6580 -222385.9663 161.1209 -266677.6242 -222056.3590 161.1209 -2508.6710 -2314.1339 921491.4634 -2508.6710 -2314.1339
ENERGY: 469 21236.3015 19910.2023 5715.6824 178.8504 -337458.3200 23284.3966 0.0000 0.0000 44720.3196 -222412.5672 162.6802 -267132.8869 -222046.0750 162.6802 -3596.7401 -2405.7971 921491.4634 -3596.7401 -2405.7971
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1730 19972.8935 5710.9491 178.5947 -338383.2506 23297.0676 0.0000 0.0000 45346.4570 -222466.1156 164.9579 -267812.5726 -222047.6089 164.9579 -4259.6991 -2477.6830 921491.4634 -4259.6991 -2477.6830
ENERGY: 471 21732.8676 20054.6835 5707.9626 178.5890 -338913.2451 23297.5089 0.0000 0.0000 45471.3364 -222470.2971 165.4122 -267941.6334 -222047.5359 165.4122 -4290.5681 -2504.3174 921491.4634 -4290.5681 -2504.3174
ENERGY: 472 22081.2361 20161.5552 5707.0091 178.9047 -338870.6765 23279.4495 0.0000 0.0000 45028.5294 -222433.9927 163.8014 -267462.5220 -222059.5055 163.8014 -3659.7361 -2479.9183 921491.4634 -3659.7361 -2479.9183
ENERGY: 473 21866.1365 20289.3426 5707.9843 179.6165 -338307.7190 23240.7367 0.0000 0.0000 44634.5168 -222389.3856 162.3681 -267023.9025 -222043.8537 162.3681 -2556.3619 -2408.1657 921491.4634 -2556.3619 -2408.1657
ENERGY: 474 20842.9710 20372.0986 5710.2161 180.7466 -337438.4552 23189.2351 0.0000 0.0000 44733.2300 -222409.9578 162.7272 -267143.1878 -222041.2617 162.7272 -1295.5529 -2316.2727 921491.4634 -1295.5529 -2316.2727
ENERGY: 475 19674.2085 20371.7673 5712.9876 182.2512 -336604.2312 23142.3820 0.0000 0.0000 45070.2133 -222450.4213 163.9530 -267520.6347 -222039.4527 163.9530 -344.6452 -2232.2125 921491.4634 -344.6452 -2232.2125
ENERGY: 476 19235.7863 20282.0272 5715.7683 184.0125 -336100.0902 23115.8469 0.0000 0.0000 45106.0631 -222460.5858 164.0835 -267566.6490 -222053.6135 164.0835 -92.4050 -2183.0651 921491.4634 -92.4050 -2183.0651
ENERGY: 477 19704.7248 20145.9811 5718.4976 185.9230 -336101.8786 23114.2941 0.0000 0.0000 44812.3208 -222420.1372 163.0149 -267232.4580 -222044.8408 163.0149 -667.4943 -2171.8227 921491.4634 -667.4943 -2171.8227
ENERGY: 478 20493.4775 19974.7635 5721.0254 187.7262 -336537.4032 23131.2461 0.0000 0.0000 44627.0332 -222402.1311 162.3409 -267029.1644 -222047.4104 162.3409 -1807.1599 -2198.7955 921491.4634 -1807.1599 -2198.7955
ENERGY: 479 21125.3058 19793.3954 5723.3295 189.2099 -337215.5834 23156.6772 0.0000 0.0000 44802.1577 -222425.5079 162.9779 -267227.6656 -222050.5457 162.9779 -3089.8510 -2246.7917 921491.4634 -3089.8510 -2246.7917
TIMING: 480 CPU: 224.961, 0.457672/step Wall: 224.961, 0.457672/step, 0.00254262 hours remaining, 3224.289062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0326 19623.1964 5725.3111 190.1900 -337854.6782 23181.5118 0.0000 0.0000 45051.6814 -222458.7548 163.8856 -267510.4362 -222064.6208 163.8856 -4077.7322 -2291.4892 921491.4634 -4077.7322 -2291.4892
ENERGY: 481 22092.4852 19510.0435 5727.0953 190.6351 -338199.2479 23196.7958 0.0000 0.0000 45041.3369 -222440.8561 163.8480 -267482.1930 -222052.5263 163.8480 -4466.2393 -2305.6733 921491.4634 -4466.2393 -2305.6733
ENERGY: 482 22186.3468 19466.6798 5728.4964 190.3598 -338044.5419 23192.7473 0.0000 0.0000 44865.8519 -222414.0598 163.2096 -267279.9118 -222051.4110 163.2096 -4059.3100 -2278.0616 921491.4634 -4059.3100 -2278.0616
ENERGY: 483 21553.1418 19511.5750 5729.5660 189.3227 -337426.2188 23165.8739 0.0000 0.0000 44861.8966 -222414.8427 163.1952 -267276.7393 -222048.7670 163.1952 -2964.1728 -2216.4117 921491.4634 -2964.1728 -2216.4117
ENERGY: 484 20460.8933 19631.1944 5730.2465 187.5455 -336590.8886 23126.1350 0.0000 0.0000 45003.6027 -222451.2712 163.7107 -267454.8738 -222059.8737 163.7107 -1565.2430 -2143.1850 921491.4634 -1565.2430 -2143.1850
ENERGY: 485 19688.7727 19800.2996 5730.5256 185.2458 -335902.5867 23092.8469 0.0000 0.0000 44955.5722 -222449.3240 163.5360 -267404.8962 -222045.9600 163.5360 -422.1575 -2086.8737 921491.4634 -422.1575 -2086.8737
ENERGY: 486 19602.5430 19954.8179 5729.7198 182.4662 -335612.3567 23080.3806 0.0000 0.0000 44645.9117 -222416.5176 162.4096 -267062.4293 -222044.6755 162.4096 87.3178 -2070.0983 921491.4634 87.3178 -2070.0983
ENERGY: 487 19881.0926 20072.0214 5727.4348 179.4360 -335846.4478 23091.0542 0.0000 0.0000 44503.3495 -222392.0594 161.8910 -266895.4089 -222045.2401 161.8910 -192.2346 -2106.8841 921491.4634 -192.2346 -2106.8841
ENERGY: 488 20125.2099 20156.1361 5723.5441 176.4338 -336552.5450 23118.8614 0.0000 0.0000 44827.0557 -222425.3040 163.0685 -267252.3597 -222057.1937 163.0685 -1145.7532 -2194.6681 921491.4634 -1145.7532 -2194.6681
ENERGY: 489 20526.8872 20236.4608 5718.5749 173.8639 -337540.4652 23156.7308 0.0000 0.0000 45266.1004 -222461.8472 164.6656 -267727.9476 -222045.6085 164.6656 -2511.2402 -2316.7068 921491.4634 -2511.2402 -2316.7068
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7488 20292.9021 5712.8912 171.8438 -338458.1357 23196.4875 0.0000 0.0000 45213.5630 -222459.6993 164.4745 -267673.2622 -222048.2207 164.4745 -3823.4036 -2437.4156 921491.4634 -3823.4036 -2437.4156
ENERGY: 491 22430.4637 20312.1361 5707.3795 170.5404 -338984.5791 23226.0935 0.0000 0.0000 44733.0091 -222404.9568 162.7264 -267137.9658 -222049.4637 162.7264 -4629.6934 -2524.6216 921491.4634 -4629.6934 -2524.6216
ENERGY: 492 22612.9546 20289.6812 5702.9945 170.0208 -338937.5816 23232.7204 0.0000 0.0000 44542.1951 -222387.0150 162.0323 -266929.2102 -222060.3860 162.0323 -4606.8526 -2557.4731 921491.4634 -4606.8526 -2557.4731
ENERGY: 493 21558.2190 20260.7375 5700.7779 170.3200 -338358.0636 23214.0536 0.0000 0.0000 45033.8229 -222420.1326 163.8207 -267453.9554 -222046.5900 163.8207 -3796.3823 -2540.0997 921491.4634 -3796.3823 -2540.0997
ENERGY: 494 20068.3371 20225.0262 5700.9806 171.2193 -337454.3839 23183.0795 0.0000 0.0000 45622.2474 -222483.4939 165.9612 -268105.7413 -222044.0867 165.9612 -2500.8998 -2482.1069 921491.4634 -2500.8998 -2482.1069
ENERGY: 495 19383.2467 20186.8302 5703.5926 172.5416 -336566.9891 23159.4625 0.0000 0.0000 45484.1232 -222477.1925 165.4587 -267961.3156 -222041.5563 165.4587 -1249.6842 -2407.3057 921491.4634 -1249.6842 -2407.3057
ENERGY: 496 19722.4836 20130.6472 5708.0350 174.0933 -335998.7159 23154.2635 0.0000 0.0000 44699.5273 -222409.6660 162.6046 -267109.1932 -222049.0670 162.6046 -478.9000 -2343.4752 921491.4634 -478.9000 -2343.4752
ENERGY: 497 20212.6669 20059.9176 5713.4613 175.7242 -335952.5045 23166.3545 0.0000 0.0000 44261.0290 -222363.3510 161.0095 -266624.3801 -222042.7500 161.0095 -421.0232 -2316.7929 921491.4634 -421.0232 -2316.7929
ENERGY: 498 20182.0165 19957.1215 5718.5597 177.2604 -336366.4934 23189.3585 0.0000 0.0000 44728.2536 -222413.9233 162.7091 -267142.1768 -222044.5219 162.7091 -993.4677 -2331.6473 921491.4634 -993.4677 -2331.6473
ENERGY: 499 20158.0677 19847.7309 5722.4090 178.6361 -337058.4824 23219.2403 0.0000 0.0000 45439.2645 -222493.1339 165.2956 -267932.3983 -222047.2062 165.2956 -2020.8684 -2376.3391 921491.4634 -2020.8684 -2376.3391
Info: Benchmark time: 4 CPUs 0.457487 s/step 5.29499 days/ns 3224.29 MB memory
TIMING: 500 CPU: 234.044, 0.45416/step Wall: 234.044, 0.45416/step, 0 hours remaining, 3224.289062 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 20974.8934 19756.6586 5724.4523 179.8271 -337741.4192 23251.1008 0.0000 0.0000 45359.0778 -222495.4092 165.0039 -267854.4870 -222061.0910 165.0039 -3197.5166 -2425.4143 921491.4634 -3197.5166 -2425.4143
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3230.094 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3230.094 MB of memory in use
====================================================
WallClock: 240.996246 CPUTime: 240.996246 Memory: 3230.093750 MB
[Partition 0][Node 0] End of program
Application 87952424 resources: utime ~948s, stime ~18s, Rss ~127452, inblocks ~67011, outblocks ~72238
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins3127195693421392617.sh
+ scp BW_REMOTE_4:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_4:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_4:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/memory
Finished: SUCCESS
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