Skipping 716 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 ============== 54.1645
LDB: Largest compute 200 load 0.430611 is 1.2% of average load 36.768195
LDB: Average compute 0.051506 is 0.1% of average load 36.768195
LDB: Partitioning computes with target load 3.676820
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055349
LDB: ============== END OF LOAD BALANCING =============== 54.1666
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.1675
Info: Initial time: 4 CPUs 0.472695 s/step 5.47101 days/ns 3221.66 MB memory
TIMING: 100 CPU: 48.242, 0.471682/step Wall: 48.242, 0.471682/step, 0.0524092 hours remaining, 3221.656250 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 ============== 63.5818
LDB: ============== END OF LOAD BALANCING =============== 63.5819
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.5823
TIMING: 120 CPU: 57.657, 0.470747/step Wall: 57.657, 0.470747/step, 0.04969 hours remaining, 3221.839844 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: 67.0642, 0.470362/step Wall: 67.0642, 0.470362/step, 0.0470362 hours remaining, 3222.031250 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: 76.4619, 0.469883/step Wall: 76.4619, 0.469883/step, 0.0443779 hours remaining, 3222.324219 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 18508.1493 5697.2826 183.0024 -333202.6497 20887.8856 0.0000 0.0000 43070.6067 -222342.9106 156.6790 -265413.5173 -222161.4908 156.6790 -5004.1554 -2859.8871 921491.4634 -5004.1554 -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 21917.7900 18733.9559 5737.6245 154.5770 -332975.2977 21015.2133 0.0000 0.0000 43101.1545 -222314.9826 156.7902 -265416.1370 -222126.1323 156.7902 -2936.2257 -2665.7683 921491.4634 -2936.2257 -2665.7683
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TIMING: 180 CPU: 85.8491, 0.46936/step Wall: 85.8491, 0.46936/step, 0.0417209 hours remaining, 3222.324219 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: 184 18376.8753 19424.9915 5710.5469 174.1844 -332181.9079 21042.4479 0.0000 0.0000 44880.5527 -222572.3091 163.2631 -267452.8619 -222144.6143 163.2631 -1576.6174 -2645.2274 921491.4634 -1576.6174 -2645.2274
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ENERGY: 186 19266.0405 19234.9571 5686.4352 181.9571 -332240.0937 21043.7459 0.0000 0.0000 44391.5886 -222435.3692 161.4844 -266826.9578 -222129.2888 161.4844 -2596.4731 -2731.4263 921491.4634 -2596.4731 -2731.4263
ENERGY: 187 22073.2967 19471.4304 5678.7398 184.6336 -333156.1127 21076.9265 0.0000 0.0000 42449.0055 -222222.0802 154.4178 -264671.0857 -222130.9081 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 197 21700.3670 19122.7580 5714.1451 184.7200 -332668.2730 21129.4588 0.0000 0.0000 42574.3654 -222242.4587 154.8738 -264816.8242 -222086.7180 154.8738 -3040.7436 -2596.5494 921491.4634 -3040.7436 -2596.5494
ENERGY: 198 21224.0061 18800.3006 5711.3574 186.3640 -333385.4998 21161.1533 0.0000 0.0000 43911.2863 -222391.0321 159.7372 -266302.3184 -222090.4392 159.7372 -4381.6809 -2646.7679 921491.4634 -4381.6809 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.162
LDB: Largest compute 200 load 0.425807 is 1.2% of average load 36.587017
LDB: Average compute 0.051248 is 0.1% of average load 36.587017
LDB: TIME 101.164 LOAD: AVG 36.587 MAX 37.5799 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.67 MB
LDB: TIME 101.166 LOAD: AVG 36.587 MAX 37.4472 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.67 MB
LDB: ============== END OF LOAD BALANCING =============== 101.168
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.171
Info: Initial time: 4 CPUs 0.469878 s/step 5.4384 days/ns 3223.74 MB memory
TIMING: 200 CPU: 95.2394, 0.469518/step Wall: 95.2394, 0.469518/step, 0.0391265 hours remaining, 3223.738281 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 21073.6838 18595.6349 5711.8747 190.0258 -334670.2812 21209.9247 0.0000 0.0000 45319.1600 -222569.9772 164.8586 -267889.1372 -222114.5245 164.8586 -5241.8526 -2703.6813 921491.4634 -5241.8526 -2703.6813
ENERGY: 201 23380.1030 18674.3333 5716.2802 191.4189 -334751.7131 21239.1340 0.0000 0.0000 43222.4695 -222327.9742 157.2315 -265550.4437 -222100.1078 157.2315 -4546.2005 -2661.1900 921491.4634 -4546.2005 -2661.1900
ENERGY: 202 23622.8116 18850.8450 5722.5980 192.1474 -334305.3006 21243.2752 0.0000 0.0000 42432.5588 -222241.0647 154.3580 -264673.6235 -222096.8291 154.3580 -3005.0518 -2588.0013 921491.4634 -3005.0518 -2588.0013
ENERGY: 203 20743.8944 19130.0390 5729.2400 192.0764 -333501.9371 21215.8254 0.0000 0.0000 44059.6986 -222431.1634 160.2771 -266490.8620 -222093.6427 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6123 19486.9556 5734.1463 191.2124 -332722.2197 21188.8402 0.0000 0.0000 45629.4718 -222628.9809 165.9875 -268258.4528 -222116.7002 165.9875 452.9935 -2462.2928 921491.4634 452.9935 -2462.2928
ENERGY: 205 18189.0790 19868.9414 5735.7153 189.6741 -332398.2548 21197.9185 0.0000 0.0000 44690.7148 -222526.2117 162.5725 -267216.9264 -222099.8060 162.5725 731.8538 -2447.6352 921491.4634 731.8538 -2447.6352
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ENERGY: 207 21693.8031 20338.2891 5726.5434 185.3060 -333603.9789 21289.9001 0.0000 0.0000 42143.6913 -222226.4459 153.3072 -264370.1372 -222103.0932 153.3072 -1896.3477 -2585.9681 921491.4634 -1896.3477 -2585.9681
ENERGY: 208 20293.2703 20371.8904 5718.1572 182.8654 -334789.2380 21322.2410 0.0000 0.0000 44428.6269 -222472.1869 161.6191 -266900.8138 -222122.6318 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -2719.7952
ENERGY: 209 19428.8172 20325.0059 5710.3389 180.5135 -335910.2416 21349.5044 0.0000 0.0000 46273.6800 -222642.3819 168.3309 -268916.0618 -222106.7904 168.3309 -5197.7275 -2836.6306 921491.4634 -5197.7275 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1736 20194.2568 5705.3139 178.4614 -336615.7771 21385.1095 0.0000 0.0000 45251.4333 -222516.0285 164.6123 -267767.4618 -222108.2019 164.6123 -6091.3664 -2896.2627 921491.4634 -6091.3664 -2896.2627
ENERGY: 211 24099.1928 19985.8631 5704.9373 176.9105 -336667.8930 21415.1477 0.0000 0.0000 43031.7285 -222254.1132 156.5376 -265285.8416 -222106.8545 156.5376 -5900.2978 -2885.1010 921491.4634 -5900.2978 -2885.1010
ENERGY: 212 23739.2709 19730.8221 5710.0295 176.0352 -336013.6225 21412.5983 0.0000 0.0000 42995.1638 -222249.7027 156.4046 -265244.8665 -222104.2319 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2159 19524.5248 5720.1722 175.9508 -334874.6441 21380.5551 0.0000 0.0000 45418.7806 -222504.4448 165.2210 -267923.2254 -222097.3836 165.2210 -2174.3116 -2725.0841 921491.4634 -2174.3116 -2725.0841
ENERGY: 214 17315.5528 19421.7447 5733.3059 176.6827 -333645.3934 21358.4485 0.0000 0.0000 46958.4702 -222681.1886 170.8220 -269639.6588 -222093.7408 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5054 19441.9743 5746.5772 178.1492 -332787.3321 21379.5596 0.0000 0.0000 45302.6745 -222527.8918 164.7987 -267830.5663 -222091.0448 164.7987 784.0016 -2554.0368 921491.4634 784.0016 -2554.0368
ENERGY: 216 20973.4716 19522.5061 5756.9571 180.1770 -332560.1061 21436.4836 0.0000 0.0000 42442.1787 -222248.3319 154.3930 -264690.5107 -222073.6157 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3867 19581.4820 5762.2416 182.5517 -333010.6759 21497.2706 0.0000 0.0000 41983.6750 -222225.0684 152.7251 -264208.7434 -222064.4466 152.7251 -882.1699 -2598.7244 921491.4634 -882.1699 -2598.7244
ENERGY: 218 20165.9157 19540.0891 5761.2415 184.9927 -333856.1150 21546.6561 0.0000 0.0000 44178.6836 -222478.5362 160.7099 -266657.2198 -222068.8156 160.7099 -2628.0653 -2703.9747 921491.4634 -2628.0653 -2703.9747
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TIMING: 220 CPU: 104.638, 0.469952/step Wall: 104.638, 0.469952/step, 0.0365518 hours remaining, 3223.738281 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: 238 19419.4414 19404.0884 5740.6977 175.0128 -333964.3150 21778.9043 0.0000 0.0000 44901.2437 -222544.9268 163.3384 -267446.1704 -222065.9775 163.3384 -987.6013 -2425.5309 921491.4634 -987.6013 -2425.5309
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TIMING: 240 CPU: 114.029, 0.469548/step Wall: 114.029, 0.469548/step, 0.0339118 hours remaining, 3223.738281 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 -335766.3626 21854.4253 0.0000 0.0000 42641.4776 -222357.3919 155.1180 -264998.8695 -222074.0953 155.1180 -3844.9085 -2568.3896 921491.4634 -3844.9085 -2568.3896
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ENERGY: 242 22110.7715 20111.8210 5758.5348 169.0441 -335904.8196 21831.0567 0.0000 0.0000 43526.8719 -222396.7195 158.3388 -265923.5914 -222063.5736 158.3388 -4623.1688 -2633.0913 921491.4634 -4623.1688 -2633.0913
ENERGY: 243 19462.3619 19969.6447 5749.3614 168.8705 -335233.7067 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 18822.2463 19849.3936 5737.4544 169.6534 -334482.6009 21720.5676 0.0000 0.0000 45629.1661 -222554.1195 165.9864 -268183.2855 -222078.7771 165.9864 -2667.7297 -2573.2149 921491.4634 -2667.7297 -2573.2149
ENERGY: 245 20148.2368 19811.7600 5725.7784 171.4559 -334087.5945 21701.2470 0.0000 0.0000 44168.5247 -222360.5917 160.6730 -266529.1164 -222068.6366 160.6730 -1771.6900 -2533.5454 921491.4634 -1771.6900 -2533.5454
ENERGY: 246 20878.5481 19853.7025 5716.8932 174.1558 -334213.1205 21705.0850 0.0000 0.0000 43600.4181 -222284.3178 158.6063 -265884.7359 -222067.4296 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5287 19979.6440 5712.7400 177.5412 -334802.1841 21719.8454 0.0000 0.0000 44912.1911 -222431.6937 163.3782 -267343.8848 -222068.1394 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4925 20164.4296 5713.8450 181.3144 -335623.1353 21746.4311 0.0000 0.0000 46185.9361 -222595.6866 168.0117 -268781.6227 -222090.3128 168.0117 -1359.1247 -2608.3065 921491.4634 -1359.1247 -2608.3065
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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: 250 23155.2057 20422.5255 5726.1009 188.5682 -336907.4408 21832.9289 0.0000 0.0000 43252.1658 -222329.9458 157.3395 -265582.1116 -222084.2879 157.3395 -3365.2096 -2722.3879 921491.4634 -3365.2096 -2722.3879
ENERGY: 251 24002.1398 20302.5995 5731.6572 191.5296 -336816.8446 21849.8673 0.0000 0.0000 42475.2391 -222263.8122 154.5132 -264739.0513 -222084.8991 154.5132 -3958.0339 -2753.0723 921491.4634 -3958.0339 -2753.0723
ENERGY: 252 21994.9041 20013.1598 5733.2541 193.8023 -336093.2676 21826.9295 0.0000 0.0000 43905.3719 -222425.8459 159.7157 -266331.2178 -222091.3308 159.7157 -3843.4681 -2758.0338 921491.4634 -3843.4681 -2758.0338
ENERGY: 253 19499.8636 19667.1121 5729.5496 195.2411 -334977.1806 21784.0536 0.0000 0.0000 45520.0191 -222581.3414 165.5893 -268101.3606 -222082.7208 165.5893 -3300.1272 -2735.8132 921491.4634 -3300.1272 -2735.8132
ENERGY: 254 19073.0881 19348.2295 5720.5008 195.9622 -333839.8798 21752.6524 0.0000 0.0000 45220.9195 -222528.5274 164.5013 -267749.4469 -222080.4689 164.5013 -2707.1336 -2696.1701 921491.4634 -2707.1336 -2696.1701
ENERGY: 255 20324.2311 19109.4101 5707.6062 196.0621 -333099.9234 21746.1515 0.0000 0.0000 43667.4212 -222349.0413 158.8501 -266016.4624 -222078.3978 158.8501 -2282.5424 -2662.7814 921491.4634 -2282.5424 -2662.7814
ENERGY: 256 20899.4410 18950.9578 5693.4518 195.6570 -332975.5973 21757.6847 0.0000 0.0000 43181.1612 -222297.2439 157.0812 -265478.4051 -222071.2740 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5654 18878.1873 5681.1759 194.7976 -333481.0041 21780.2419 0.0000 0.0000 44488.5468 -222428.4892 161.8371 -266917.0360 -222060.1685 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5868 18882.0667 5673.2911 193.6684 -334373.1547 21817.5077 0.0000 0.0000 45796.2578 -222556.7763 166.5942 -268353.0341 -222062.0609 166.5942 -2331.2329 -2737.1920 921491.4634 -2331.2329 -2737.1920
ENERGY: 259 20717.7709 18984.1030 5671.3007 192.3773 -335369.5280 21871.0066 0.0000 0.0000 45431.1555 -222501.8140 165.2661 -267932.9695 -222063.7307 165.2661 -2890.3671 -2780.4961 921491.4634 -2890.3671 -2780.4961
TIMING: 260 CPU: 123.413, 0.469172/step Wall: 123.413, 0.469172/step, 0.0312781 hours remaining, 3223.738281 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 21924.7893 0.0000 0.0000 44083.4306 -222362.1258 160.3634 -266445.5564 -222069.6814 160.3634 -3407.4794 -2810.9878 921491.4634 -3407.4794 -2810.9878
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ENERGY: 262 21606.2723 19814.6778 5694.0656 188.7122 -336291.7861 21947.6074 0.0000 0.0000 44601.6346 -222438.8162 162.2485 -267040.4508 -222052.4325 162.2485 -3214.7560 -2810.4637 921491.4634 -3214.7560 -2810.4637
ENERGY: 263 19781.1228 20140.5623 5703.8103 187.9445 -335614.9715 21924.4740 0.0000 0.0000 45349.7771 -222527.2806 164.9700 -267877.0577 -222051.1549 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2259 20436.4306 5710.6950 187.5052 -334855.9511 21907.7772 0.0000 0.0000 44751.4784 -222476.8388 162.7936 -267228.3171 -222069.1983 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
ENERGY: 265 19946.8415 20681.9926 5713.6241 187.4392 -334395.6631 21906.0163 0.0000 0.0000 43607.6374 -222352.1120 158.6326 -265959.7494 -222054.3371 158.6326 -2038.0572 -2683.6034 921491.4634 -2038.0572 -2683.6034
ENERGY: 266 20048.7899 20788.8701 5712.1327 187.6137 -334399.4576 21914.4805 0.0000 0.0000 43399.3796 -222348.1911 157.8750 -265747.5708 -222054.3634 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0906 20691.2678 5707.0583 187.8501 -334831.4854 21930.8374 0.0000 0.0000 44220.2168 -222446.1645 160.8610 -266666.3813 -222055.6584 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9161 20375.7515 5700.1930 187.9286 -335513.7449 21959.1257 0.0000 0.0000 44823.5376 -222504.2924 163.0557 -267327.8300 -222075.9875 163.0557 -2903.2126 -2658.6181 921491.4634 -2903.2126 -2658.6181
ENERGY: 269 21396.7813 19927.1701 5694.0390 187.7639 -336221.0660 21997.2160 0.0000 0.0000 44586.5098 -222431.5858 162.1935 -267018.0956 -222066.1973 162.1935 -3401.4130 -2647.2950 921491.4634 -3401.4130 -2647.2950
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 -336650.6773 22028.8070 0.0000 0.0000 44308.0075 -222365.2738 161.1804 -266673.2813 -222067.0434 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
ENERGY: 271 22345.5822 19078.8064 5690.0209 186.1610 -336571.7890 22035.2500 0.0000 0.0000 44829.4472 -222406.5212 163.0772 -267235.9684 -222066.8386 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5583 18896.0660 5692.8269 184.9335 -335921.4612 22015.0579 0.0000 0.0000 45607.7076 -222503.3109 165.9083 -268111.0186 -222081.1571 165.9083 -2551.9684 -2501.8805 921491.4634 -2551.9684 -2501.8805
ENERGY: 273 20123.2135 18932.9079 5697.5118 183.8526 -334925.7010 21985.5295 0.0000 0.0000 45502.7161 -222499.9695 165.5264 -268002.6856 -222069.0458 165.5264 -1837.1975 -2434.6760 921491.4634 -1837.1975 -2434.6760
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ENERGY: 275 20005.4316 19374.0680 5703.3424 182.5376 -333318.5602 21960.8298 0.0000 0.0000 43741.9683 -222350.3824 159.1213 -266092.3507 -222065.7691 159.1213 -1269.7931 -2374.8869 921491.4634 -1269.7931 -2374.8869
ENERGY: 276 19401.8501 19594.7509 5701.2547 182.4904 -333292.1281 21971.0409 0.0000 0.0000 44028.5272 -222412.2140 160.1637 -266440.7412 -222072.9394 160.1637 -1580.1300 -2417.6041 921491.4634 -1580.1300 -2417.6041
ENERGY: 277 19149.2972 19724.7161 5695.5210 182.9396 -333864.3454 21997.2386 0.0000 0.0000 44632.8112 -222481.8217 162.3619 -267114.6329 -222061.0987 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4577 19713.7761 5686.9122 183.6585 -334821.1004 22041.3358 0.0000 0.0000 44532.2540 -222463.7061 161.9961 -266995.9601 -222063.4130 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
ENERGY: 279 21984.3650 19593.9432 5677.5176 184.5187 -335888.5802 22096.4198 0.0000 0.0000 43975.0880 -222376.7279 159.9693 -266351.8159 -222065.2023 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 132.782, 0.468447/step Wall: 132.782, 0.468447/step, 0.0286273 hours remaining, 3223.738281 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: 282 20943.7898 19615.5379 5669.9796 186.8360 -336942.5034 22176.7653 0.0000 0.0000 45823.3371 -222526.2577 166.6927 -268349.5948 -222063.3315 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
ENERGY: 283 20432.1060 19966.6615 5678.8137 187.1634 -336251.9200 22171.0647 0.0000 0.0000 45328.8521 -222487.2586 164.8939 -267816.1107 -222060.8459 164.8939 -2008.7736 -2748.2306 921491.4634 -2008.7736 -2748.2306
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ENERGY: 285 20203.3287 20789.9629 5707.3565 186.7145 -334827.1965 22167.0164 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 19396.6309 20966.5622 5721.5032 185.8230 -334658.1147 22176.6862 0.0000 0.0000 43785.6882 -222425.2212 159.2803 -266210.9094 -222054.0582 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1190 20856.7822 5731.9346 184.4714 -334918.1479 22200.2909 0.0000 0.0000 44282.9438 -222485.6058 161.0892 -266768.5496 -222055.7253 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
ENERGY: 288 20263.2088 20475.2850 5736.9558 182.7335 -335468.3147 22237.9036 0.0000 0.0000 44116.9905 -222455.2376 160.4855 -266572.2280 -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 ============== 148.095
LDB: Largest compute 200 load 0.519732 is 1.1% of average load 45.705130
LDB: Average compute 0.064022 is 0.1% of average load 45.705130
LDB: TIME 148.097 LOAD: AVG 45.7051 MAX 46.9239 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.09 MB
LDB: TIME 148.098 LOAD: AVG 45.7051 MAX 46.9239 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.09 MB
LDB: TIME 148.101 LOAD: AVG 45.7051 MAX 46.229 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.09 MB
LDB: ============== END OF LOAD BALANCING =============== 148.101
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.102
Info: Initial time: 4 CPUs 0.468998 s/step 5.42822 days/ns 3224.09 MB memory
TIMING: 300 CPU: 142.147, 0.468248/step Wall: 142.147, 0.468248/step, 0.0260138 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
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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: 151.37, 0.461161/step Wall: 151.37, 0.461161/step, 0.0230581 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
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 340 CPU: 160.586, 0.460788/step Wall: 160.586, 0.460788/step, 0.0204795 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
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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: 169.797, 0.46054/step Wall: 169.797, 0.46054/step, 0.0179099 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
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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 20646.4610 20251.1594 5706.5521 182.3249 -335763.5801 22794.3773 0.0000 0.0000 43848.2754 -222334.4300 159.5080 -266182.7055 -222041.4010 159.5080 -1819.5858 -2472.4985 921491.4634 -1819.5858 -2472.4985
ENERGY: 378 20473.8101 20495.6595 5711.4639 183.2952 -336584.2279 22821.5836 0.0000 0.0000 44474.7537 -222423.6619 161.7869 -266898.4155 -222044.3965 161.7869 -2972.9874 -2523.3498 921491.4634 -2972.9874 -2523.3498
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TIMING: 380 CPU: 179.001, 0.460227/step Wall: 179.001, 0.460227/step, 0.0153409 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
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ENERGY: 383 21263.6993 19910.9246 5714.6670 180.7420 -337128.0229 22911.2845 0.0000 0.0000 44707.9445 -222438.7611 162.6352 -267146.7056 -222048.1880 162.6352 -2023.0802 -2294.0131 921491.4634 -2023.0802 -2294.0131
ENERGY: 384 19625.4113 19596.0353 5710.5349 179.0647 -336052.0486 22884.2534 0.0000 0.0000 45539.1834 -222517.5656 165.6590 -268056.7491 -222062.0924 165.6590 -569.2378 -2166.9357 921491.4634 -569.2378 -2166.9357
ENERGY: 385 19327.8180 19356.8911 5707.7751 177.4354 -335210.6401 22871.6143 0.0000 0.0000 45299.7172 -222469.3888 164.7879 -267769.1060 -222051.0992 164.7879 215.3516 -2064.3635 921491.4634 215.3516 -2064.3635
ENERGY: 386 19981.2274 19220.9464 5707.6637 175.9385 -334865.1818 22880.7957 0.0000 0.0000 44519.8586 -222378.7514 161.9510 -266898.6101 -222051.0436 161.9510 122.6671 -2011.2427 921491.4634 122.6671 -2011.2427
ENERGY: 387 20367.2862 19202.4844 5710.9354 174.6759 -335109.8727 22905.2744 0.0000 0.0000 44377.1816 -222372.0348 161.4320 -266749.2164 -222053.0049 161.4320 -738.9584 -2019.1688 921491.4634 -738.9584 -2019.1688
ENERGY: 388 20282.3988 19280.0167 5717.2934 173.7038 -335824.1522 22938.2900 0.0000 0.0000 44972.7763 -222459.6730 163.5986 -267432.4493 -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: 398 19692.8118 20133.3593 5716.9814 176.0456 -336812.3388 23014.0588 0.0000 0.0000 45592.7323 -222486.3496 165.8538 -268079.0820 -222045.7222 165.8538 -1710.2237 -2443.6965 921491.4634 -1710.2237 -2443.6965
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LDB: ============= START OF LOAD BALANCING ============== 194.164
LDB: Largest compute 230 load 0.524125 is 1.1% of average load 45.628594
LDB: Average compute 0.063885 is 0.1% of average load 45.628594
LDB: TIME 194.166 LOAD: AVG 45.6286 MAX 46.0619 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.09 MB
LDB: TIME 194.167 LOAD: AVG 45.6286 MAX 46.0619 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.09 MB
LDB: TIME 194.167 LOAD: AVG 45.6286 MAX 46.0619 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.09 MB
LDB: ============== END OF LOAD BALANCING =============== 194.167
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.168
Info: Benchmark time: 4 CPUs 0.460553 s/step 5.33048 days/ns 3224.09 MB memory
TIMING: 400 CPU: 188.206, 0.460248/step Wall: 188.206, 0.460248/step, 0.0127847 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
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ENERGY: 402 22444.0480 19835.9107 5715.8942 173.8391 -338107.6290 23109.6382 0.0000 0.0000 44436.8095 -222391.4893 161.6489 -266828.2988 -222049.2229 161.6489 -4939.3794 -2681.7024 921491.4634 -4939.3794 -2681.7024
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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: 415 19745.2666 20572.1261 5708.7452 198.1487 -336456.1976 23071.1993 0.0000 0.0000 44733.2273 -222427.4845 162.7272 -267160.7118 -222049.0346 162.7272 -1174.6451 -2266.5615 921491.4634 -1174.6451 -2266.5615
ENERGY: 416 19942.3169 20661.9897 5710.0857 195.6954 -336157.5865 23063.1716 0.0000 0.0000 44200.2849 -222384.0422 160.7885 -266584.3271 -222052.9645 160.7885 -282.7613 -2224.6897 921491.4634 -282.7613 -2224.6897
ENERGY: 417 20031.3750 20631.3210 5709.0493 192.4696 -336373.1078 23072.1100 0.0000 0.0000 44338.4619 -222398.3211 161.2911 -266736.7829 -222044.6994 161.2911 -112.4553 -2227.1699 921491.4634 -112.4553 -2227.1699
ENERGY: 418 20154.6649 20457.0909 5705.5847 188.6536 -336970.7870 23098.6727 0.0000 0.0000 44915.1423 -222450.9780 163.3889 -267366.1202 -222046.7094 163.3889 -671.8547 -2269.9921 921491.4634 -671.8547 -2269.9921
ENERGY: 419 20790.7632 20185.5523 5700.4810 184.6054 -337717.8758 23139.8023 0.0000 0.0000 45250.3101 -222466.3614 164.6082 -267716.6715 -222049.5951 164.6082 -1783.9423 -2336.6465 921491.4634 -1783.9423 -2336.6465
TIMING: 420 CPU: 197.384, 0.458918/step Wall: 197.384, 0.458918/step, 0.0101982 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
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ENERGY: 428 20140.4228 19760.4168 5710.4628 168.5259 -336199.9851 23087.7674 0.0000 0.0000 44884.2595 -222448.1299 163.2766 -267332.3894 -222058.0551 163.2766 -935.5733 -2206.9585 921491.4634 -935.5733 -2206.9585
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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: 432 21768.3704 20188.6727 5710.3546 168.1086 -338651.2098 23176.0843 0.0000 0.0000 45177.9909 -222461.6283 164.3451 -267639.6192 -222065.9056 164.3451 -3350.2741 -2296.1497 921491.4634 -3350.2741 -2296.1497
ENERGY: 433 21200.9071 20275.9667 5710.3763 168.4633 -338164.0634 23162.2907 0.0000 0.0000 45192.9284 -222453.1309 164.3995 -267646.0593 -222052.5980 164.3995 -3187.3732 -2272.1275 921491.4634 -3187.3732 -2272.1275
ENERGY: 434 20730.3411 20338.1503 5711.6061 169.3247 -337394.2701 23140.7732 0.0000 0.0000 44883.0997 -222420.9749 163.2724 -267304.0746 -222051.1460 163.2724 -2694.3106 -2227.7884 921491.4634 -2694.3106 -2227.7884
ENERGY: 435 20235.2200 20362.4019 5714.0003 170.8455 -336680.6551 23123.4094 0.0000 0.0000 44675.9838 -222398.7942 162.5190 -267074.7780 -222049.5886 162.5190 -2061.3580 -2179.8950 921491.4634 -2061.3580 -2179.8950
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ENERGY: 437 19434.5516 20329.5095 5720.9893 175.9827 -336411.9785 23136.3865 0.0000 0.0000 45159.2687 -222455.2902 164.2770 -267614.5589 -222050.7504 164.2770 -1319.1169 -2134.4849 921491.4634 -1319.1169 -2134.4849
ENERGY: 438 19935.1533 20278.6097 5724.6883 179.3849 -336899.4576 23173.5516 0.0000 0.0000 45148.1324 -222459.9375 164.2365 -267608.0699 -222051.5669 164.2365 -1493.0942 -2145.0882 921491.4634 -1493.0942 -2145.0882
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TIMING: 440 CPU: 206.557, 0.458613/step Wall: 206.557, 0.458613/step, 0.00764356 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: 440 22071.5686 20036.2371 5729.7527 186.7202 -338123.1800 23276.2483 0.0000 0.0000 44417.5457 -222405.1075 161.5788 -266822.6533 -222059.4769 161.5788 -2408.4613 -2197.9670 921491.4634 -2408.4613 -2197.9670
ENERGY: 441 22355.5487 19860.0407 5730.3487 190.1146 -338361.1707 23313.2042 0.0000 0.0000 44502.6962 -222409.2175 161.8886 -266911.9137 -222050.0856 161.8886 -2716.1027 -2221.5312 921491.4634 -2716.1027 -2221.5312
ENERGY: 442 21853.6118 19664.5346 5729.4854 192.9412 -338090.1522 23327.1565 0.0000 0.0000 44880.6318 -222441.7910 163.2634 -267322.4227 -222049.7751 163.2634 -2710.5575 -2229.0695 921491.4634 -2710.5575 -2229.0695
ENERGY: 443 21064.3315 19487.0719 5727.6164 194.9329 -337369.3137 23320.0155 0.0000 0.0000 45118.1105 -222457.2350 164.1273 -267575.3455 -222048.5992 164.1273 -2448.1647 -2220.3530 921491.4634 -2448.1647 -2220.3530
ENERGY: 444 20449.3362 19357.2686 5725.4095 195.8735 -336464.1916 23301.5273 0.0000 0.0000 44987.7175 -222447.0591 163.6530 -267434.7766 -222057.9800 163.6530 -2090.2099 -2206.4400 921491.4634 -2090.2099 -2206.4400
ENERGY: 445 20125.5608 19307.2513 5723.6513 195.6942 -335759.3909 23283.8136 0.0000 0.0000 44708.7153 -222414.7044 162.6380 -267123.4197 -222046.5431 162.6380 -1846.9626 -2201.6927 921491.4634 -1846.9626 -2201.6927
ENERGY: 446 19947.6806 19324.9001 5722.5430 194.3235 -335494.5705 23276.0448 0.0000 0.0000 44620.2944 -222408.7841 162.3164 -267029.0786 -222046.1623 162.3164 -1800.7519 -2216.7295 921491.4634 -1800.7519 -2216.7295
ENERGY: 447 19914.2850 19416.0206 5722.2107 191.8641 -335769.4400 23282.7455 0.0000 0.0000 44816.5088 -222425.8052 163.0301 -267242.3141 -222046.8345 163.0301 -1993.3114 -2253.0605 921491.4634 -1993.3114 -2253.0605
ENERGY: 448 20187.5923 19583.6797 5722.5764 188.5554 -336503.1803 23303.8902 0.0000 0.0000 45065.6676 -222451.2186 163.9365 -267516.8863 -222059.3482 163.9365 -2372.1881 -2303.7900 921491.4634 -2372.1881 -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 21754.4856 20108.1299 5724.4776 181.0897 -338419.3257 23364.6241 0.0000 0.0000 44854.3100 -222432.2088 163.1677 -267286.5188 -222048.7862 163.1677 -3116.6760 -2394.3898 921491.4634 -3116.6760 -2394.3898
ENERGY: 451 22355.5905 20357.7256 5724.7144 177.6517 -338952.0918 23381.8005 0.0000 0.0000 44542.6990 -222411.9102 162.0341 -266954.6092 -222048.8247 162.0341 -3074.2535 -2405.7799 921491.4634 -3074.2535 -2405.7799
ENERGY: 452 22246.2017 20536.0136 5723.8953 174.8859 -338927.1547 23378.0942 0.0000 0.0000 44452.9200 -222415.1440 161.7075 -266868.0640 -222059.6371 161.7075 -2659.9607 -2384.7569 921491.4634 -2659.9607 -2384.7569
ENERGY: 453 21399.8727 20641.1314 5722.2878 173.1350 -338392.7944 23354.5906 0.0000 0.0000 44683.7037 -222418.0731 162.5470 -267101.7768 -222043.5372 162.5470 -2048.3339 -2342.4669 921491.4634 -2048.3339 -2342.4669
ENERGY: 454 20248.3382 20654.1377 5720.2217 172.3637 -337567.1424 23320.6901 0.0000 0.0000 45008.1468 -222443.2442 163.7273 -267451.3911 -222041.8392 163.7273 -1453.4578 -2293.1451 921491.4634 -1453.4578 -2293.1451
ENERGY: 455 19486.7908 20584.7123 5718.4844 172.5169 -336790.6462 23290.4023 0.0000 0.0000 45086.5791 -222451.1604 164.0126 -267537.7395 -222040.8571 164.0126 -1151.8823 -2255.8572 921491.4634 -1151.8823 -2255.8572
ENERGY: 456 19493.3723 20440.6802 5717.7556 173.4248 -336350.1086 23274.9632 0.0000 0.0000 44811.4728 -222438.4397 163.0118 -267249.9125 -222055.3487 163.0118 -1305.5004 -2245.5823 921491.4634 -1305.5004 -2245.5823
ENERGY: 457 20047.4931 20251.9435 5718.5580 174.9241 -336395.8174 23277.8276 0.0000 0.0000 44521.8707 -222403.2004 161.9583 -266925.0711 -222049.4134 161.9583 -1906.4165 -2263.5013 921491.4634 -1906.4165 -2263.5013
ENERGY: 458 20585.8437 20019.2722 5720.7061 176.6081 -336835.0968 23294.7175 0.0000 0.0000 44632.7891 -222405.1601 162.3618 -267037.9492 -222051.2824 162.3618 -2684.6988 -2301.0427 921491.4634 -2684.6988 -2301.0427
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TIMING: 460 CPU: 215.72, 0.458166/step Wall: 215.72, 0.458166/step, 0.00509073 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: 460 21262.6142 19597.9062 5728.0972 179.4910 -338014.3771 23341.8004 0.0000 0.0000 45423.8566 -222480.6116 165.2395 -267904.4682 -222064.6835 165.2395 -3669.8203 -2365.2412 921491.4634 -3669.8203 -2365.2412
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ENERGY: 462 22264.2257 19487.8107 5736.4823 180.9531 -337988.7171 23351.1090 0.0000 0.0000 44559.9289 -222408.2074 162.0968 -266968.1363 -222056.7213 162.0968 -2954.8199 -2323.4249 921491.4634 -2954.8199 -2323.4249
ENERGY: 463 21821.1792 19513.9014 5738.9361 181.1160 -337284.1028 23326.9481 0.0000 0.0000 44313.4569 -222388.5651 161.2002 -266702.0220 -222054.6241 161.2002 -2012.4421 -2264.0777 921491.4634 -2012.4421 -2264.0777
ENERGY: 464 20535.2460 19559.9271 5739.2518 181.0096 -336389.3841 23291.1946 0.0000 0.0000 44654.0265 -222428.7285 162.4391 -267082.7550 -222058.5730 162.4391 -1050.9224 -2205.5268 921491.4634 -1050.9224 -2205.5268
ENERGY: 465 19322.7827 19631.8853 5737.2899 180.7155 -335701.1536 23259.7396 0.0000 0.0000 45094.5686 -222474.1720 164.0416 -267568.7407 -222052.9389 164.0416 -512.3344 -2174.4008 921491.4634 -512.3344 -2174.4008
ENERGY: 466 19088.4511 19708.3581 5733.2107 180.2808 -335443.7731 23245.0609 0.0000 0.0000 45020.7907 -222467.6207 163.7733 -267488.4114 -222052.9786 163.7733 -630.3313 -2182.6710 921491.4634 -630.3313 -2182.6710
ENERGY: 467 19841.8072 19783.1743 5727.6704 179.7757 -335721.0959 23249.4536 0.0000 0.0000 44523.6665 -222415.5483 161.9649 -266939.2148 -222054.3496 161.9649 -1393.6030 -2232.5924 921491.4634 -1393.6030 -2232.5924
ENERGY: 468 20761.8484 19845.4943 5721.5089 179.2779 -336451.5675 23265.8132 0.0000 0.0000 44291.6586 -222385.9661 161.1209 -266677.6247 -222056.3589 161.1209 -2508.6714 -2314.1339 921491.4634 -2508.6714 -2314.1339
ENERGY: 469 21236.3018 19910.2024 5715.6824 178.8504 -337458.3213 23284.3969 0.0000 0.0000 44720.3204 -222412.5671 162.6802 -267132.8875 -222046.0748 162.6802 -3596.7407 -2405.7971 921491.4634 -3596.7407 -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 21411.1733 19972.8937 5710.9491 178.5947 -338383.2520 23297.0680 0.0000 0.0000 45346.4576 -222466.1155 164.9579 -267812.5731 -222047.6087 164.9579 -4259.6996 -2477.6830 921491.4634 -4259.6996 -2477.6830
ENERGY: 471 21732.8680 20054.6839 5707.9626 178.5890 -338913.2465 23297.5093 0.0000 0.0000 45471.3368 -222470.2969 165.4122 -267941.6337 -222047.5358 165.4122 -4290.5683 -2504.3174 921491.4634 -4290.5683 -2504.3174
ENERGY: 472 22081.2363 20161.5556 5707.0091 178.9047 -338870.6781 23279.4499 0.0000 0.0000 45028.5297 -222433.9928 163.8014 -267462.5226 -222059.5057 163.8014 -3659.7360 -2479.9184 921491.4634 -3659.7360 -2479.9184
ENERGY: 473 21866.1363 20289.3430 5707.9843 179.6165 -338307.7205 23240.7372 0.0000 0.0000 44634.5175 -222389.3858 162.3681 -267023.9033 -222043.8538 162.3681 -2556.3614 -2408.1657 921491.4634 -2556.3614 -2408.1657
ENERGY: 474 20842.9705 20372.0990 5710.2160 180.7466 -337438.4566 23189.2357 0.0000 0.0000 44733.2308 -222409.9581 162.7272 -267143.1888 -222041.2619 162.7272 -1295.5522 -2316.2728 921491.4634 -1295.5522 -2316.2728
ENERGY: 475 19674.2081 20371.7677 5712.9876 182.2512 -336604.2327 23142.3826 0.0000 0.0000 45070.2140 -222450.4215 163.9531 -267520.6355 -222039.4529 163.9531 -344.6446 -2232.2125 921491.4634 -344.6446 -2232.2125
ENERGY: 476 19235.7864 20282.0276 5715.7683 184.0125 -336100.0917 23115.8475 0.0000 0.0000 45106.0634 -222460.5860 164.0835 -267566.6494 -222053.6136 164.0835 -92.4047 -2183.0651 921491.4634 -92.4047 -2183.0651
ENERGY: 477 19704.7252 20145.9814 5718.4976 185.9230 -336101.8803 23114.2948 0.0000 0.0000 44812.3209 -222420.1373 163.0149 -267232.4582 -222044.8410 163.0149 -667.4945 -2171.8227 921491.4634 -667.4945 -2171.8227
ENERGY: 478 20493.4778 19974.7638 5721.0254 187.7262 -336537.4049 23131.2469 0.0000 0.0000 44627.0334 -222402.1313 162.3409 -267029.1647 -222047.4105 162.3409 -1807.1604 -2198.7954 921491.4634 -1807.1604 -2198.7954
ENERGY: 479 21125.3059 19793.3956 5723.3295 189.2099 -337215.5849 23156.6780 0.0000 0.0000 44802.1579 -222425.5081 162.9779 -267227.6660 -222050.5458 162.9779 -3089.8516 -2246.7916 921491.4634 -3089.8516 -2246.7916
TIMING: 480 CPU: 224.886, 0.458324/step Wall: 224.886, 0.458324/step, 0.00254624 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: 480 21624.0329 19623.1964 5725.3111 190.1901 -337854.6795 23181.5127 0.0000 0.0000 45051.6814 -222458.7550 163.8856 -267510.4364 -222064.6210 163.8856 -4077.7326 -2291.4890 921491.4634 -4077.7326 -2291.4890
ENERGY: 481 22092.4856 19510.0432 5727.0952 190.6351 -338199.2488 23196.7967 0.0000 0.0000 45041.3367 -222440.8563 163.8480 -267482.1930 -222052.5266 163.8480 -4466.2392 -2305.6730 921491.4634 -4466.2392 -2305.6730
ENERGY: 482 22186.3469 19466.6794 5728.4963 190.3598 -338044.5424 23192.7482 0.0000 0.0000 44865.8518 -222414.0600 163.2096 -267279.9118 -222051.4113 163.2096 -4059.3095 -2278.0612 921491.4634 -4059.3095 -2278.0612
ENERGY: 483 21553.1413 19511.5744 5729.5660 189.3227 -337426.2190 23165.8748 0.0000 0.0000 44861.8968 -222414.8430 163.1953 -267276.7398 -222048.7672 163.1953 -2964.1718 -2216.4113 921491.4634 -2964.1718 -2216.4113
ENERGY: 484 20460.8926 19631.1938 5730.2465 187.5455 -336590.8891 23126.1358 0.0000 0.0000 45003.6031 -222451.2718 163.7107 -267454.8749 -222059.8743 163.7107 -1565.2422 -2143.1849 921491.4634 -1565.2422 -2143.1849
ENERGY: 485 19688.7722 19800.2990 5730.5256 185.2458 -335902.5873 23092.8477 0.0000 0.0000 44955.5724 -222449.3246 163.5360 -267404.8970 -222045.9606 163.5360 -422.1567 -2086.8736 921491.4634 -422.1567 -2086.8736
ENERGY: 486 19602.5430 19954.8176 5729.7198 182.4662 -335612.3576 23080.3813 0.0000 0.0000 44645.9115 -222416.5182 162.4096 -267062.4297 -222044.6761 162.4096 87.3181 -2070.0982 921491.4634 87.3181 -2070.0982
ENERGY: 487 19881.0929 20072.0213 5727.4347 179.4360 -335846.4491 23091.0550 0.0000 0.0000 44503.3493 -222392.0600 161.8910 -266895.4093 -222045.2407 161.8910 -192.2348 -2106.8841 921491.4634 -192.2348 -2106.8841
ENERGY: 488 20125.2101 20156.1363 5723.5441 176.4338 -336552.5458 23118.8621 0.0000 0.0000 44827.0557 -222425.3038 163.0685 -267252.3595 -222057.1935 163.0685 -1145.7533 -2194.6677 921491.4634 -1145.7533 -2194.6677
ENERGY: 489 20526.8873 20236.4611 5718.5749 173.8639 -337540.4662 23156.7315 0.0000 0.0000 45266.1005 -222461.8470 164.6656 -267727.9475 -222045.6082 164.6656 -2511.2405 -2316.7064 921491.4634 -2511.2405 -2316.7064
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 -338458.1367 23196.4881 0.0000 0.0000 45213.5630 -222459.6990 164.4745 -267673.2619 -222048.2204 164.4745 -3823.4038 -2437.4152 921491.4634 -3823.4038 -2437.4152
ENERGY: 491 22430.4641 20312.1365 5707.3795 170.5404 -338984.5800 23226.0940 0.0000 0.0000 44733.0089 -222404.9565 162.7264 -267137.9654 -222049.4635 162.7264 -4629.6932 -2524.6212 921491.4634 -4629.6932 -2524.6212
ENERGY: 492 22612.9547 20289.6815 5702.9944 170.0208 -338937.5823 23232.7208 0.0000 0.0000 44542.1952 -222387.0149 162.0323 -266929.2101 -222060.3858 162.0323 -4606.8523 -2557.4729 921491.4634 -4606.8523 -2557.4729
ENERGY: 493 21558.2187 20260.7378 5700.7779 170.3200 -338358.0641 23214.0539 0.0000 0.0000 45033.8233 -222420.1324 163.8207 -267453.9557 -222046.5898 163.8207 -3796.3816 -2540.0996 921491.4634 -3796.3816 -2540.0996
ENERGY: 494 20068.3365 20225.0265 5700.9806 171.2193 -337454.3843 23183.0797 0.0000 0.0000 45622.2480 -222483.4937 165.9612 -268105.7417 -222044.0865 165.9612 -2500.8990 -2482.1069 921491.4634 -2500.8990 -2482.1069
ENERGY: 495 19383.2464 20186.8304 5703.5926 172.5416 -336566.9894 23159.4626 0.0000 0.0000 45484.1236 -222477.1923 165.4587 -267961.3159 -222041.5561 165.4587 -1249.6835 -2407.3056 921491.4634 -1249.6835 -2407.3056
ENERGY: 496 19722.4837 20130.6474 5708.0350 174.0933 -335998.7162 23154.2637 0.0000 0.0000 44699.5276 -222409.6656 162.6046 -267109.1931 -222049.0666 162.6046 -478.8996 -2343.4750 921491.4634 -478.8996 -2343.4750
ENERGY: 497 20212.6671 20059.9177 5713.4613 175.7242 -335952.5049 23166.3546 0.0000 0.0000 44261.0295 -222363.3506 161.0095 -266624.3801 -222042.7496 161.0095 -421.0232 -2316.7927 921491.4634 -421.0232 -2316.7927
ENERGY: 498 20182.0168 19957.1215 5718.5597 177.2604 -336366.4941 23189.3585 0.0000 0.0000 44728.2543 -222413.9229 162.7091 -267142.1772 -222044.5216 162.7091 -993.4681 -2331.6472 921491.4634 -993.4681 -2331.6472
ENERGY: 499 20158.0681 19847.7307 5722.4089 178.6361 -337058.4832 23219.2404 0.0000 0.0000 45439.2654 -222493.1335 165.2956 -267932.3989 -222047.2058 165.2956 -2020.8690 -2376.3390 921491.4634 -2020.8690 -2376.3390
Info: Benchmark time: 4 CPUs 0.457725 s/step 5.29774 days/ns 3224.09 MB memory
TIMING: 500 CPU: 233.979, 0.454611/step Wall: 233.979, 0.454611/step, 0 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: 500 20974.8941 19756.6581 5724.4523 179.8271 -337741.4205 23251.1008 0.0000 0.0000 45359.0788 -222495.4092 165.0039 -267854.4881 -222061.0910 165.0039 -3197.5172 -2425.4144 921491.4634 -3197.5172 -2425.4144
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.387 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.387 MB of memory in use
====================================================
WallClock: 240.830872 CPUTime: 240.830872 Memory: 3229.386719 MB
[Partition 0][Node 0] End of program
Application 102700895 resources: utime ~947s, stime ~19s, Rss ~127068, inblocks ~67016, outblocks ~72238
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins356999187925226793.sh
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/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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