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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 ============== 50.8264
LDB: Largest compute 200 load 0.427546 is 1.2% of average load 36.803547
LDB: Average compute 0.051575 is 0.1% of average load 36.803547
LDB: Partitioning computes with target load 3.680355
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.056124
LDB: ============== END OF LOAD BALANCING =============== 50.8286
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 50.8295
Info: Initial time: 4 CPUs 0.473088 s/step 5.47556 days/ns 3219.42 MB memory
TIMING: 100 CPU: 48.276, 0.472021/step Wall: 48.276, 0.472021/step, 0.0524468 hours remaining, 3219.421875 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 60.254
LDB: ============== END OF LOAD BALANCING =============== 60.2541
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 60.2546
TIMING: 120 CPU: 57.6996, 0.471181/step Wall: 57.6996, 0.47118/step, 0.0497357 hours remaining, 3219.621094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 130 21553.6087 18898.7762 5736.4508 185.0194 -334776.0137 21118.0422 0.0000 0.0000 44811.1496 -222472.9667 163.0106 -267284.1164 -222216.5365 163.0106 -5536.0555 -2842.3154 921491.4634 -5536.0555 -2842.3154
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ENERGY: 138 21874.8525 19195.4800 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9638 -222340.8740 155.6399 -265125.8379 -222213.1817 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.1124, 0.47064/step Wall: 67.1124, 0.47064/step, 0.047064 hours remaining, 3219.894531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 140 20992.5976 17997.1576 5722.1741 192.2140 -333726.9441 21127.4060 0.0000 0.0000 45144.2513 -222551.1435 164.2224 -267695.3947 -222224.0363 164.2224 -5617.7627 -3080.3638 921491.4634 -5617.7627 -3080.3638
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 150 21015.8993 19956.3835 5767.3089 192.0924 -334899.3754 20845.5771 0.0000 0.0000 44606.5897 -222515.5246 162.2665 -267122.1142 -222153.2667 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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TIMING: 160 CPU: 76.5152, 0.470144/step Wall: 76.5152, 0.470144/step, 0.0444025 hours remaining, 3220.050781 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 178 21917.7900 18733.9559 5737.6245 154.5770 -332975.2977 21015.2133 0.0000 0.0000 43101.1544 -222314.9827 156.7902 -265416.1371 -222126.1324 156.7902 -2936.2256 -2665.7683 921491.4634 -2936.2256 -2665.7683
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TIMING: 180 CPU: 85.9057, 0.469523/step Wall: 85.9057, 0.469523/step, 0.0417354 hours remaining, 3220.050781 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 19266.0404 19234.9571 5686.4352 181.9571 -332240.0936 21043.7459 0.0000 0.0000 44391.5887 -222435.3692 161.4844 -266826.9579 -222129.2888 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1126 21076.9264 0.0000 0.0000 42449.0055 -222222.0802 154.4178 -264671.0857 -222130.9080 154.4178 -3641.8536 -2802.0866 921491.4634 -3641.8536 -2802.0866
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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 ============== 97.8526
LDB: Largest compute 200 load 0.423868 is 1.2% of average load 36.615142
LDB: Average compute 0.051311 is 0.1% of average load 36.615142
LDB: TIME 97.8545 LOAD: AVG 36.6151 MAX 37.5979 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3220.42 MB
LDB: TIME 97.8566 LOAD: AVG 36.6151 MAX 37.4914 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3220.42 MB
LDB: ============== END OF LOAD BALANCING =============== 97.8584
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 97.8615
Info: Initial time: 4 CPUs 0.470191 s/step 5.44203 days/ns 3221.25 MB memory
TIMING: 200 CPU: 95.3049, 0.469958/step Wall: 95.3049, 0.469958/step, 0.0391632 hours remaining, 3221.250000 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: 202 23622.8115 18850.8451 5722.5980 192.1474 -334305.3006 21243.2751 0.0000 0.0000 42432.5587 -222241.0648 154.3580 -264673.6235 -222096.8292 154.3580 -3005.0518 -2588.0014 921491.4634 -3005.0518 -2588.0014
ENERGY: 203 20743.8944 19130.0391 5729.2400 192.0764 -333501.9372 21215.8253 0.0000 0.0000 44059.6984 -222431.1636 160.2771 -266490.8620 -222093.6428 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6123 19486.9557 5734.1463 191.2124 -332722.2199 21188.8402 0.0000 0.0000 45629.4718 -222628.9812 165.9875 -268258.4529 -222116.7004 165.9875 452.9933 -2462.2930 921491.4634 452.9933 -2462.2930
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ENERGY: 208 20293.2704 20371.8903 5718.1572 182.8654 -334789.2378 21322.2409 0.0000 0.0000 44428.6269 -222472.1867 161.6191 -266900.8135 -222122.6316 161.6191 -3669.0644 -2719.7952 921491.4634 -3669.0644 -2719.7952
ENERGY: 209 19428.8172 20325.0059 5710.3389 180.5135 -335910.2413 21349.5043 0.0000 0.0000 46273.6799 -222642.3817 168.3309 -268916.0616 -222106.7902 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 21385.1734 20194.2569 5705.3139 178.4614 -336615.7768 21385.1095 0.0000 0.0000 45251.4334 -222516.0283 164.6123 -267767.4617 -222108.2018 164.6123 -6091.3664 -2896.2628 921491.4634 -6091.3664 -2896.2628
ENERGY: 211 24099.1927 19985.8632 5704.9373 176.9105 -336667.8926 21415.1476 0.0000 0.0000 43031.7285 -222254.1130 156.5376 -265285.8415 -222106.8543 156.5376 -5900.2978 -2885.1011 921491.4634 -5900.2978 -2885.1011
ENERGY: 212 23739.2708 19730.8222 5710.0295 176.0352 -336013.6226 21412.5981 0.0000 0.0000 42995.1638 -222249.7029 156.4046 -265244.8667 -222104.2321 156.4046 -4424.1002 -2820.3211 921491.4634 -4424.1002 -2820.3211
ENERGY: 213 20150.2159 19524.5248 5720.1722 175.9508 -334874.6443 21380.5550 0.0000 0.0000 45418.7805 -222504.4450 165.2210 -267923.2255 -222097.3838 165.2210 -2174.3117 -2725.0842 921491.4634 -2174.3117 -2725.0842
ENERGY: 214 17315.5528 19421.7448 5733.3059 176.6827 -333645.3936 21358.4484 0.0000 0.0000 46958.4702 -222681.1888 170.8220 -269639.6590 -222093.7410 170.8220 -143.6685 -2626.0579 921491.4634 -143.6685 -2626.0579
ENERGY: 215 18210.5054 19441.9743 5746.5772 178.1492 -332787.3323 21379.5595 0.0000 0.0000 45302.6746 -222527.8920 164.7987 -267830.5666 -222091.0450 164.7987 784.0014 -2554.0369 921491.4634 784.0014 -2554.0369
ENERGY: 216 20973.4716 19522.5062 5756.9571 180.1770 -332560.1060 21436.4834 0.0000 0.0000 42442.1788 -222248.3319 154.3930 -264690.5107 -222073.6157 154.3930 420.9901 -2541.5429 921491.4634 420.9901 -2541.5429
ENERGY: 217 21778.3868 19581.4820 5762.2416 182.5517 -333010.6758 21497.2704 0.0000 0.0000 41983.6750 -222225.0683 152.7251 -264208.7433 -222064.4465 152.7251 -882.1700 -2598.7244 921491.4634 -882.1700 -2598.7244
ENERGY: 218 20165.9159 19540.0891 5761.2415 184.9927 -333856.1147 21546.6559 0.0000 0.0000 44178.6835 -222478.5361 160.7099 -266657.2196 -222068.8155 160.7099 -2628.0654 -2703.9747 921491.4634 -2628.0654 -2703.9747
ENERGY: 219 19429.8641 19413.3932 5754.3577 187.2447 -334778.0709 21596.8807 0.0000 0.0000 45751.9297 -222644.4008 166.4329 -268396.3304 -222073.1720 166.4329 -4457.7334 -2810.5237 921491.4634 -4457.7334 -2810.5237
TIMING: 220 CPU: 104.734, 0.471476/step Wall: 104.734, 0.471476/step, 0.0366703 hours remaining, 3221.250000 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 220 21580.9144 19260.1137 5743.1672 189.1021 -335473.8433 21655.3183 0.0000 0.0000 44539.5739 -222505.6538 162.0227 -267045.2277 -222092.6291 162.0227 -5898.3513 -2876.6578 921491.4634 -5898.3513 -2876.6578
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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 21999.2455 20926.2538 5717.1889 185.9786 -336838.6563 21834.6449 0.0000 0.0000 43751.0551 -222424.2896 159.1543 -266175.3446 -222088.6911 159.1543 -4902.3780 -2766.0557 921491.4634 -4902.3780 -2766.0557
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ENERGY: 233 20035.6403 19318.2043 5703.4910 182.6157 -334889.2827 21760.7374 0.0000 0.0000 45350.0986 -222538.4954 164.9712 -267888.5940 -222089.6823 164.9712 -3899.2115 -2646.7386 921491.4634 -3899.2115 -2646.7386
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ENERGY: 237 20196.0059 18940.2031 5726.8243 176.7459 -333068.3186 21749.0155 0.0000 0.0000 43898.3779 -222381.1460 159.6902 -266279.5239 -222063.3606 159.6902 -172.1589 -2373.2012 921491.4634 -172.1589 -2373.2012
ENERGY: 238 19419.4415 19404.0884 5740.6977 175.0128 -333964.3152 21778.9042 0.0000 0.0000 44901.2435 -222544.9271 163.3384 -267446.1706 -222065.9778 163.3384 -987.6015 -2425.5310 921491.4634 -987.6015 -2425.5310
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TIMING: 240 CPU: 114.153, 0.470912/step Wall: 114.153, 0.470912/step, 0.0340103 hours remaining, 3221.250000 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 240 22861.0419 20119.9136 5760.6910 171.4213 -335766.3625 21854.4252 0.0000 0.0000 42641.4775 -222357.3921 155.1180 -264998.8696 -222074.0954 155.1180 -3844.9085 -2568.3896 921491.4634 -3844.9085 -2568.3896
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ENERGY: 242 22110.7715 20111.8209 5758.5348 169.0441 -335904.8194 21831.0566 0.0000 0.0000 43526.8717 -222396.7197 158.3388 -265923.5914 -222063.5738 158.3388 -4623.1688 -2633.0913 921491.4634 -4623.1688 -2633.0913
ENERGY: 243 19462.3620 19969.6446 5749.3614 168.8705 -335233.7066 21770.4747 0.0000 0.0000 45537.0687 -222575.9247 165.6513 -268112.9935 -222061.6676 165.6513 -3760.4504 -2614.6992 921491.4634 -3760.4504 -2614.6992
ENERGY: 244 18822.2463 19849.3935 5737.4544 169.6534 -334482.6010 21720.5675 0.0000 0.0000 45629.1661 -222554.1197 165.9864 -268183.2858 -222078.7774 165.9864 -2667.7297 -2573.2150 921491.4634 -2667.7297 -2573.2150
ENERGY: 245 20148.2367 19811.7600 5725.7785 171.4559 -334087.5947 21701.2469 0.0000 0.0000 44168.5247 -222360.5921 160.6730 -266529.1168 -222068.6369 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5481 19853.7025 5716.8932 174.1558 -334213.1208 21705.0850 0.0000 0.0000 43600.4181 -222284.3181 158.6063 -265884.7362 -222067.4299 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5289 19979.6440 5712.7400 177.5412 -334802.1845 21719.8454 0.0000 0.0000 44912.1909 -222431.6940 163.3782 -267343.8850 -222068.1397 163.3782 -983.0001 -2552.5930 921491.4634 -983.0001 -2552.5930
ENERGY: 248 19035.4927 20164.4297 5713.8450 181.3144 -335623.1354 21746.4310 0.0000 0.0000 46185.9359 -222595.6867 168.0117 -268781.6227 -222090.3129 168.0117 -1359.1248 -2608.3066 921491.4634 -1359.1248 -2608.3066
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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 23155.2055 20422.5256 5726.1009 188.5682 -336907.4409 21832.9289 0.0000 0.0000 43252.1658 -222329.9460 157.3395 -265582.1118 -222084.2881 157.3395 -3365.2095 -2722.3879 921491.4634 -3365.2095 -2722.3879
ENERGY: 251 24002.1397 20302.5996 5731.6573 191.5295 -336816.8447 21849.8673 0.0000 0.0000 42475.2391 -222263.8123 154.5132 -264739.0514 -222084.8992 154.5132 -3958.0338 -2753.0723 921491.4634 -3958.0338 -2753.0723
ENERGY: 252 21994.9041 20013.1598 5733.2541 193.8023 -336093.2675 21826.9295 0.0000 0.0000 43905.3718 -222425.8459 159.7157 -266331.2177 -222091.3308 159.7157 -3843.4680 -2758.0338 921491.4634 -3843.4680 -2758.0338
ENERGY: 253 19499.8637 19667.1121 5729.5496 195.2411 -334977.1806 21784.0536 0.0000 0.0000 45520.0190 -222581.3415 165.5893 -268101.3605 -222082.7208 165.5893 -3300.1271 -2735.8131 921491.4634 -3300.1271 -2735.8131
ENERGY: 254 19073.0880 19348.2295 5720.5008 195.9622 -333839.8797 21752.6524 0.0000 0.0000 45220.9194 -222528.5274 164.5013 -267749.4469 -222080.4689 164.5013 -2707.1335 -2696.1700 921491.4634 -2707.1335 -2696.1700
ENERGY: 255 20324.2310 19109.4101 5707.6062 196.0620 -333099.9233 21746.1515 0.0000 0.0000 43667.4212 -222349.0413 158.8501 -266016.4625 -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 43181.1611 -222297.2439 157.0812 -265478.4051 -222071.2741 157.0812 -2042.2409 -2664.5198 921491.4634 -2042.2409 -2664.5198
ENERGY: 257 20029.5655 18878.1873 5681.1759 194.7976 -333481.0041 21780.2419 0.0000 0.0000 44488.5467 -222428.4892 161.8371 -266917.0359 -222060.1685 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5868 18882.0667 5673.2911 193.6684 -334373.1546 21817.5077 0.0000 0.0000 45796.2577 -222556.7763 166.5942 -268353.0340 -222062.0609 166.5942 -2331.2329 -2737.1920 921491.4634 -2331.2329 -2737.1920
ENERGY: 259 20717.7708 18984.1030 5671.3007 192.3773 -335369.5279 21871.0065 0.0000 0.0000 45431.1555 -222501.8140 165.2661 -267932.9695 -222063.7308 165.2661 -2890.3671 -2780.4961 921491.4634 -2890.3671 -2780.4961
TIMING: 260 CPU: 123.564, 0.470558/step Wall: 123.564, 0.470558/step, 0.0313705 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
ENERGY: 260 22744.9541 19188.2463 5675.1876 191.0393 -336169.7729 21924.7892 0.0000 0.0000 44083.4306 -222362.1258 160.3634 -266445.5564 -222069.6815 160.3634 -3407.4793 -2810.9878 921491.4634 -3407.4793 -2810.9878
ENERGY: 261 23215.5571 19485.4656 5683.6413 189.7700 -336523.9800 21953.3901 0.0000 0.0000 43676.0233 -222320.1325 158.8814 -265996.1558 -222052.8238 158.8814 -3555.3694 -2822.8648 921491.4634 -3555.3694 -2822.8648
ENERGY: 262 21606.2723 19814.6778 5694.0656 188.7122 -336291.7859 21947.6073 0.0000 0.0000 44601.6345 -222438.8162 162.2485 -267040.4507 -222052.4325 162.2485 -3214.7559 -2810.4637 921491.4634 -3214.7559 -2810.4637
ENERGY: 263 19781.1227 20140.5623 5703.8103 187.9445 -335614.9713 21924.4739 0.0000 0.0000 45349.7770 -222527.2806 164.9700 -267877.0576 -222051.1549 164.9700 -2647.8114 -2773.3903 921491.4634 -2647.8114 -2773.3903
ENERGY: 264 19385.2258 20436.4306 5710.6950 187.5052 -334855.9511 21907.7771 0.0000 0.0000 44751.4784 -222476.8389 162.7936 -267228.3173 -222069.1984 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
ENERGY: 265 19946.8414 20681.9927 5713.6241 187.4392 -334395.6633 21906.0162 0.0000 0.0000 43607.6375 -222352.1121 158.6326 -265959.7496 -222054.3372 158.6326 -2038.0573 -2683.6035 921491.4634 -2038.0573 -2683.6035
ENERGY: 266 20048.7900 20788.8701 5712.1327 187.6137 -334399.4578 21914.4804 0.0000 0.0000 43399.3797 -222348.1913 157.8750 -265747.5709 -222054.3635 157.8750 -2130.7242 -2664.5957 921491.4634 -2130.7242 -2664.5957
ENERGY: 267 19648.0908 20691.2679 5707.0583 187.8501 -334831.4857 21930.8373 0.0000 0.0000 44220.2167 -222446.1646 160.8610 -266666.3814 -222055.6585 160.8610 -2435.4236 -2662.6784 921491.4634 -2435.4236 -2662.6784
ENERGY: 268 19962.9162 20375.7516 5700.1930 187.9286 -335513.7451 21959.1256 0.0000 0.0000 44823.5376 -222504.2925 163.0557 -267327.8301 -222075.9876 163.0557 -2903.2127 -2658.6181 921491.4634 -2903.2127 -2658.6181
ENERGY: 269 21396.7813 19927.1702 5694.0390 187.7639 -336221.0662 21997.2159 0.0000 0.0000 44586.5100 -222431.5859 162.1935 -267018.0958 -222066.1974 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 22620.1931 19450.9167 5690.3173 187.1618 -336650.6774 22028.8069 0.0000 0.0000 44308.0077 -222365.2739 161.1804 -266673.2815 -222067.0435 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
ENERGY: 271 22345.5821 19078.8065 5690.0209 186.1610 -336571.7890 22035.2499 0.0000 0.0000 44829.4473 -222406.5212 163.0772 -267235.9685 -222066.8386 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5583 18896.0661 5692.8269 184.9335 -335921.4612 22015.0578 0.0000 0.0000 45607.7076 -222503.3111 165.9083 -268111.0187 -222081.1572 165.9083 -2551.9683 -2501.8805 921491.4634 -2551.9683 -2501.8805
ENERGY: 273 20123.2135 18932.9080 5697.5118 183.8526 -334925.7010 21985.5294 0.0000 0.0000 45502.7161 -222499.9696 165.5264 -268002.6857 -222069.0459 165.5264 -1837.1974 -2434.6760 921491.4634 -1837.1974 -2434.6760
ENERGY: 274 20074.7415 19121.4862 5701.6806 183.0070 -333931.6256 21965.2975 0.0000 0.0000 44478.5176 -222406.8952 161.8006 -266885.4128 -222066.8029 161.8006 -1366.5212 -2384.6634 921491.4634 -1366.5212 -2384.6634
ENERGY: 275 20005.4316 19374.0681 5703.3424 182.5376 -333318.5602 21960.8297 0.0000 0.0000 43741.9683 -222350.3825 159.1213 -266092.3508 -222065.7693 159.1213 -1269.7931 -2374.8869 921491.4634 -1269.7931 -2374.8869
ENERGY: 276 19401.8502 19594.7509 5701.2547 182.4904 -333292.1281 21971.0408 0.0000 0.0000 44028.5271 -222412.2141 160.1637 -266440.7412 -222072.9396 160.1637 -1580.1301 -2417.6041 921491.4634 -1580.1301 -2417.6041
ENERGY: 277 19149.2974 19724.7161 5695.5210 182.9396 -333864.3454 21997.2385 0.0000 0.0000 44632.8110 -222481.8218 162.3619 -267114.6328 -222061.0989 162.3619 -2311.7546 -2498.0545 921491.4634 -2311.7546 -2498.0545
ENERGY: 278 20199.4578 19713.7761 5686.9122 183.6585 -334821.1004 22041.3357 0.0000 0.0000 44532.2539 -222463.7062 161.9961 -266995.9601 -222063.4132 161.9961 -3254.8158 -2593.7697 921491.4634 -3254.8158 -2593.7697
ENERGY: 279 21984.3649 19593.9432 5677.5176 184.5187 -335888.5801 22096.4197 0.0000 0.0000 43975.0880 -222376.7280 159.9693 -266351.8160 -222065.2024 159.9693 -4044.3214 -2682.8390 921491.4634 -4044.3214 -2682.8390
TIMING: 280 CPU: 132.958, 0.469721/step Wall: 132.958, 0.469721/step, 0.0287052 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
ENERGY: 280 22859.3229 19458.4367 5670.0026 185.3899 -336752.6635 22145.1352 0.0000 0.0000 44066.7338 -222367.6423 160.3027 -266434.3761 -222073.4251 160.3027 -4286.3895 -2748.0548 921491.4634 -4286.3895 -2748.0548
ENERGY: 281 22172.5958 19445.1183 5667.0588 186.2206 -337154.6804 22172.1190 0.0000 0.0000 45063.2422 -222448.3257 163.9277 -267511.5679 -222064.8523 163.9277 -3881.2952 -2782.5904 921491.4634 -3881.2952 -2782.5904
ENERGY: 282 20943.7897 19615.5379 5669.9796 186.8360 -336942.5036 22176.7653 0.0000 0.0000 45823.3369 -222526.2582 166.6927 -268349.5951 -222063.3320 166.6927 -2992.3271 -2779.3670 921491.4634 -2992.3271 -2779.3670
ENERGY: 283 20432.1059 19966.6615 5678.8137 187.1634 -336251.9202 22171.0646 0.0000 0.0000 45328.8520 -222487.2591 164.8939 -267816.1111 -222060.8464 164.8939 -2008.7736 -2748.2308 921491.4634 -2008.7736 -2748.2308
ENERGY: 284 20506.3997 20401.8822 5692.0830 187.1346 -335412.6298 22166.2908 0.0000 0.0000 44071.4481 -222387.3915 160.3198 -266458.8396 -222061.5541 160.3198 -1267.2790 -2712.3902 921491.4634 -1267.2790 -2712.3902
ENERGY: 285 20203.3286 20789.9629 5707.3564 186.7145 -334827.1965 22167.0164 0.0000 0.0000 43418.2631 -222354.5546 157.9437 -265772.8176 -222053.5967 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6310 20966.5622 5721.5031 185.8229 -334658.1148 22176.6861 0.0000 0.0000 43785.6881 -222425.2213 159.2803 -266210.9094 -222054.0583 159.2803 -1306.7503 -2717.2847 921491.4634 -1306.7503 -2717.2847
ENERGY: 287 19176.1192 20856.7822 5731.9346 184.4714 -334918.1480 22200.2908 0.0000 0.0000 44282.9437 -222485.6060 161.0892 -266768.5497 -222055.7254 161.0892 -2148.9614 -2753.3344 921491.4634 -2148.9614 -2753.3344
ENERGY: 288 20263.2089 20475.2851 5736.9557 182.7335 -335468.3148 22237.9036 0.0000 0.0000 44116.9904 -222455.2377 160.4855 -266572.2281 -222066.9054 160.4855 -3310.5880 -2790.1554 921491.4634 -3310.5880 -2790.1554
ENERGY: 289 21886.4834 19928.6978 5736.1905 180.7560 -336126.9122 22279.0688 0.0000 0.0000 43733.4513 -222382.2643 159.0903 -266115.7156 -222062.2725 159.0903 -4368.9815 -2809.8749 921491.4634 -4368.9815 -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 22615.9844 19325.5265 5730.3279 178.6973 -336571.4573 22308.2173 0.0000 0.0000 44027.4235 -222385.2804 160.1597 -266412.7039 -222063.4685 160.1597 -4815.3286 -2796.0390 921491.4634 -4815.3286 -2796.0390
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LDB: ============= START OF LOAD BALANCING ============== 144.92
LDB: Largest compute 200 load 0.526217 is 1.2% of average load 45.700355
LDB: Average compute 0.064051 is 0.1% of average load 45.700355
LDB: TIME 144.922 LOAD: AVG 45.7004 MAX 47.059 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.08 MB
LDB: TIME 144.923 LOAD: AVG 45.7004 MAX 47.059 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3222.08 MB
LDB: TIME 144.928 LOAD: AVG 45.7004 MAX 46.2046 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3222.08 MB
LDB: ============== END OF LOAD BALANCING =============== 144.929
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 144.93
Info: Initial time: 4 CPUs 0.470286 s/step 5.44312 days/ns 3222.08 MB memory
TIMING: 300 CPU: 142.343, 0.46925/step Wall: 142.343, 0.46925/step, 0.0260694 hours remaining, 3222.078125 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 21723.0647 20395.7907 5720.2599 184.8676 -337483.0154 22416.9291 0.0000 0.0000 44599.2671 -222442.8363 162.2399 -267042.1034 -222057.3402 162.2399 -3958.8648 -2554.2736 921491.4634 -3958.8648 -2554.2736
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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: 151.563, 0.460987/step Wall: 151.563, 0.460987/step, 0.0230493 hours remaining, 3222.078125 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: 327 20020.7821 19506.2793 5669.7116 187.2139 -334851.2528 22513.0146 0.0000 0.0000 44550.7422 -222403.5091 162.0634 -266954.2513 -222059.8762 162.0634 -657.4992 -2506.5013 921491.4634 -657.4992 -2506.5013
ENERGY: 328 20934.1979 19092.0091 5666.7484 187.7399 -335303.4710 22549.7453 0.0000 0.0000 44493.2353 -222379.7951 161.8542 -266873.0304 -222061.7262 161.8542 -1393.2039 -2547.3518 921491.4634 -1393.2039 -2547.3518
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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 21007.5746 19722.4644 5687.5590 179.5437 -335808.8623 22564.1945 0.0000 0.0000 44285.9169 -222361.6090 161.1000 -266647.5260 -222041.5960 161.1000 -1500.9499 -2462.8576 921491.4634 -1500.9499 -2462.8576
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TIMING: 340 CPU: 160.776, 0.46063/step Wall: 160.776, 0.46063/step, 0.0204724 hours remaining, 3222.078125 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: 169.98, 0.460242/step Wall: 169.98, 0.460242/step, 0.0178983 hours remaining, 3222.078125 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: 179.183, 0.460146/step Wall: 179.183, 0.460146/step, 0.0153382 hours remaining, 3222.078125 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: 387 20367.2859 19202.4843 5710.9355 174.6759 -335109.8721 22905.2744 0.0000 0.0000 44377.1810 -222372.0351 161.4320 -266749.2161 -222053.0052 161.4320 -738.9583 -2019.1688 921491.4634 -738.9583 -2019.1688
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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 ============== 190.974
LDB: Largest compute 230 load 0.524463 is 1.1% of average load 45.662805
LDB: Average compute 0.063969 is 0.1% of average load 45.662805
LDB: TIME 190.976 LOAD: AVG 45.6628 MAX 46.0438 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.08 MB
LDB: TIME 190.976 LOAD: AVG 45.6628 MAX 46.0438 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3222.08 MB
LDB: TIME 190.976 LOAD: AVG 45.6628 MAX 46.0438 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3222.08 MB
LDB: ============== END OF LOAD BALANCING =============== 190.977
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 190.978
Info: Benchmark time: 4 CPUs 0.460363 s/step 5.32828 days/ns 3222.08 MB memory
TIMING: 400 CPU: 188.384, 0.460016/step Wall: 188.384, 0.460016/step, 0.0127782 hours remaining, 3222.078125 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 19942.3167 20661.9898 5710.0857 195.6954 -336157.5858 23063.1713 0.0000 0.0000 44200.2847 -222384.0422 160.7885 -266584.3268 -222052.9645 160.7885 -282.7612 -2224.6897 921491.4634 -282.7612 -2224.6897
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ENERGY: 418 20154.6648 20457.0910 5705.5847 188.6537 -336970.7864 23098.6724 0.0000 0.0000 44915.1420 -222450.9779 163.3889 -267366.1198 -222046.7094 163.3889 -671.8547 -2269.9921 921491.4634 -671.8547 -2269.9921
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TIMING: 420 CPU: 197.563, 0.458979/step Wall: 197.563, 0.458979/step, 0.0101995 hours remaining, 3222.078125 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: 432 21768.3704 20188.6728 5710.3547 168.1086 -338651.2107 23176.0840 0.0000 0.0000 45177.9914 -222461.6288 164.3451 -267639.6203 -222065.9061 164.3451 -3350.2744 -2296.1500 921491.4634 -3350.2744 -2296.1500
ENERGY: 433 21200.9071 20275.9668 5710.3763 168.4633 -338164.0644 23162.2905 0.0000 0.0000 45192.9289 -222453.1315 164.3995 -267646.0604 -222052.5986 164.3995 -3187.3735 -2272.1279 921491.4634 -3187.3735 -2272.1279
ENERGY: 434 20730.3409 20338.1503 5711.6061 169.3247 -337394.2710 23140.7731 0.0000 0.0000 44883.1004 -222420.9755 163.2724 -267304.0759 -222051.1466 163.2724 -2694.3109 -2227.7887 921491.4634 -2694.3109 -2227.7887
ENERGY: 435 20235.2199 20362.4018 5714.0003 170.8455 -336680.6562 23123.4094 0.0000 0.0000 44675.9845 -222398.7948 162.5190 -267074.7793 -222049.5892 162.5190 -2061.3583 -2179.8953 921491.4634 -2061.3583 -2179.8953
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ENERGY: 438 19935.1532 20278.6097 5724.6883 179.3848 -336899.4583 23173.5518 0.0000 0.0000 45148.1327 -222459.9376 164.2365 -267608.0703 -222051.5671 164.2365 -1493.0943 -2145.0882 921491.4634 -1493.0943 -2145.0882
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TIMING: 440 CPU: 206.733, 0.458468/step Wall: 206.733, 0.458468/step, 0.00764114 hours remaining, 3222.078125 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 186.7201 -338123.1809 23276.2487 0.0000 0.0000 44417.5460 -222405.1078 161.5788 -266822.6538 -222059.4772 161.5788 -2408.4614 -2197.9671 921491.4634 -2408.4614 -2197.9671
ENERGY: 441 22355.5488 19860.0410 5730.3487 190.1145 -338361.1715 23313.2046 0.0000 0.0000 44502.6960 -222409.2178 161.8886 -266911.9138 -222050.0859 161.8886 -2716.1028 -2221.5313 921491.4634 -2716.1028 -2221.5313
ENERGY: 442 21853.6119 19664.5351 5729.4854 192.9411 -338090.1531 23327.1570 0.0000 0.0000 44880.6313 -222441.7912 163.2634 -267322.4226 -222049.7754 163.2634 -2710.5576 -2229.0695 921491.4634 -2710.5576 -2229.0695
ENERGY: 443 21064.3314 19487.0725 5727.6164 194.9329 -337369.3145 23320.0160 0.0000 0.0000 45118.1099 -222457.2353 164.1273 -267575.3453 -222048.5995 164.1273 -2448.1647 -2220.3530 921491.4634 -2448.1647 -2220.3530
ENERGY: 444 20449.3359 19357.2693 5725.4095 195.8735 -336464.1918 23301.5279 0.0000 0.0000 44987.7168 -222447.0591 163.6529 -267434.7758 -222057.9800 163.6529 -2090.2098 -2206.4399 921491.4634 -2090.2098 -2206.4399
ENERGY: 445 20125.5604 19307.2521 5723.6513 195.6942 -335759.3909 23283.8141 0.0000 0.0000 44708.7142 -222414.7045 162.6380 -267123.4187 -222046.5431 162.6380 -1846.9625 -2201.6925 921491.4634 -1846.9625 -2201.6925
ENERGY: 446 19947.6804 19324.9010 5722.5429 194.3235 -335494.5703 23276.0454 0.0000 0.0000 44620.2930 -222408.7842 162.3164 -267029.0772 -222046.1624 162.3164 -1800.7517 -2216.7293 921491.4634 -1800.7517 -2216.7293
ENERGY: 447 19914.2848 19416.0214 5722.2107 191.8641 -335769.4395 23282.7460 0.0000 0.0000 44816.5072 -222425.8053 163.0301 -267242.3125 -222046.8346 163.0301 -1993.3112 -2253.0602 921491.4634 -1993.3112 -2253.0602
ENERGY: 448 20187.5920 19583.6803 5722.5764 188.5554 -336503.1797 23303.8906 0.0000 0.0000 45065.6660 -222451.2190 163.9365 -267516.8849 -222059.3485 163.9365 -2372.1879 -2303.7899 921491.4634 -2372.1879 -2303.7899
ENERGY: 449 20877.4058 19832.6988 5723.5712 184.8596 -337500.9067 23334.5924 0.0000 0.0000 45101.1665 -222446.6124 164.0656 -267547.7789 -222047.7104 164.0656 -2827.1082 -2356.1408 921491.4634 -2827.1082 -2356.1408
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4852 20108.1301 5724.4776 181.0898 -338419.3244 23364.6243 0.0000 0.0000 44854.3083 -222432.2091 163.1676 -267286.5174 -222048.7865 163.1676 -3116.6757 -2394.3897 921491.4634 -3116.6757 -2394.3897
ENERGY: 451 22355.5902 20357.7256 5724.7143 177.6517 -338952.0903 23381.8007 0.0000 0.0000 44542.6974 -222411.9104 162.0341 -266954.6078 -222048.8250 162.0341 -3074.2534 -2405.7798 921491.4634 -3074.2534 -2405.7798
ENERGY: 452 22246.2013 20536.0135 5723.8953 174.8859 -338927.1531 23378.0943 0.0000 0.0000 44452.9185 -222415.1443 161.7075 -266868.0629 -222059.6374 161.7075 -2659.9606 -2384.7569 921491.4634 -2659.9606 -2384.7569
ENERGY: 453 21399.8723 20641.1311 5722.2878 173.1350 -338392.7928 23354.5906 0.0000 0.0000 44683.7026 -222418.0734 162.5470 -267101.7761 -222043.5376 162.5470 -2048.3339 -2342.4669 921491.4634 -2048.3339 -2342.4669
ENERGY: 454 20248.3377 20654.1374 5720.2217 172.3637 -337567.1411 23320.6899 0.0000 0.0000 45008.1461 -222443.2446 163.7273 -267451.3907 -222041.8395 163.7273 -1453.4580 -2293.1451 921491.4634 -1453.4580 -2293.1451
ENERGY: 455 19486.7905 20584.7121 5718.4844 172.5169 -336790.6451 23290.4020 0.0000 0.0000 45086.5785 -222451.1607 164.0126 -267537.7392 -222040.8574 164.0126 -1151.8826 -2255.8573 921491.4634 -1151.8826 -2255.8573
ENERGY: 456 19493.3723 20440.6801 5717.7555 173.4249 -336350.1075 23274.9627 0.0000 0.0000 44811.4723 -222438.4396 163.0118 -267249.9120 -222055.3487 163.0118 -1305.5006 -2245.5824 921491.4634 -1305.5006 -2245.5824
ENERGY: 457 20047.4931 20251.9434 5718.5580 174.9241 -336395.8166 23277.8270 0.0000 0.0000 44521.8707 -222403.2003 161.9583 -266925.0710 -222049.4134 161.9583 -1906.4167 -2263.5014 921491.4634 -1906.4167 -2263.5014
ENERGY: 458 20585.8435 20019.2722 5720.7060 176.6081 -336835.0961 23294.7167 0.0000 0.0000 44632.7895 -222405.1600 162.3618 -267037.9495 -222051.2823 162.3618 -2684.6990 -2301.0429 921491.4634 -2684.6990 -2301.0429
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TIMING: 460 CPU: 215.892, 0.457991/step Wall: 215.892, 0.457991/step, 0.00508878 hours remaining, 3222.078125 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: 462 22264.2258 19487.8110 5736.4822 180.9531 -337988.7173 23351.1077 0.0000 0.0000 44559.9301 -222408.2074 162.0968 -266968.1375 -222056.7214 162.0968 -2954.8204 -2323.4254 921491.4634 -2954.8204 -2323.4254
ENERGY: 463 21821.1792 19513.9018 5738.9361 181.1160 -337284.1031 23326.9467 0.0000 0.0000 44313.4581 -222388.5652 161.2002 -266702.0234 -222054.6242 161.2002 -2012.4428 -2264.0782 921491.4634 -2012.4428 -2264.0782
ENERGY: 464 20535.2460 19559.9275 5739.2518 181.0096 -336389.3846 23291.1931 0.0000 0.0000 44654.0277 -222428.7288 162.4391 -267082.7565 -222058.5733 162.4391 -1050.9231 -2205.5272 921491.4634 -1050.9231 -2205.5272
ENERGY: 465 19322.7828 19631.8857 5737.2898 180.7155 -335701.1538 23259.7380 0.0000 0.0000 45094.5697 -222474.1723 164.0417 -267568.7420 -222052.9392 164.0417 -512.3351 -2174.4012 921491.4634 -512.3351 -2174.4012
ENERGY: 466 19088.4512 19708.3584 5733.2107 180.2808 -335443.7728 23245.0592 0.0000 0.0000 45020.7916 -222467.6210 163.7733 -267488.4126 -222052.9789 163.7733 -630.3318 -2182.6715 921491.4634 -630.3318 -2182.6715
ENERGY: 467 19841.8070 19783.1745 5727.6703 179.7757 -335721.0952 23249.4517 0.0000 0.0000 44523.6674 -222415.5486 161.9649 -266939.2160 -222054.3499 161.9649 -1393.6034 -2232.5929 921491.4634 -1393.6034 -2232.5929
ENERGY: 468 20761.8481 19845.4944 5721.5089 179.2779 -336451.5664 23265.8112 0.0000 0.0000 44291.6594 -222385.9665 161.1209 -266677.6259 -222056.3593 161.1209 -2508.6719 -2314.1345 921491.4634 -2508.6719 -2314.1345
ENERGY: 469 21236.3014 19910.2023 5715.6824 178.8504 -337458.3198 23284.3947 0.0000 0.0000 44720.3211 -222412.5675 162.6802 -267132.8885 -222046.0752 162.6802 -3596.7411 -2405.7977 921491.4634 -3596.7411 -2405.7977
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1730 19972.8936 5710.9491 178.5947 -338383.2502 23297.0658 0.0000 0.0000 45346.4581 -222466.1159 164.9580 -267812.5740 -222047.6091 164.9580 -4259.7000 -2477.6836 921491.4634 -4259.7000 -2477.6836
ENERGY: 471 21732.8678 20054.6836 5707.9626 178.5890 -338913.2446 23297.5070 0.0000 0.0000 45471.3373 -222470.2973 165.4122 -267941.6346 -222047.5361 165.4122 -4290.5689 -2504.3180 921491.4634 -4290.5689 -2504.3180
ENERGY: 472 22081.2361 20161.5552 5707.0091 178.9047 -338870.6762 23279.4477 0.0000 0.0000 45028.5303 -222433.9932 163.8014 -267462.5235 -222059.5061 163.8014 -3659.7366 -2479.9189 921491.4634 -3659.7366 -2479.9189
ENERGY: 473 21866.1361 20289.3425 5707.9843 179.6165 -338307.7186 23240.7349 0.0000 0.0000 44634.5180 -222389.3862 162.3681 -267023.9043 -222043.8543 162.3681 -2556.3622 -2408.1663 921491.4634 -2556.3622 -2408.1663
ENERGY: 474 20842.9703 20372.0985 5710.2160 180.7466 -337438.4547 23189.2334 0.0000 0.0000 44733.2313 -222409.9585 162.7272 -267143.1898 -222041.2623 162.7272 -1295.5531 -2316.2733 921491.4634 -1295.5531 -2316.2733
ENERGY: 475 19674.2080 20371.7672 5712.9876 182.2512 -336604.2307 23142.3805 0.0000 0.0000 45070.2143 -222450.4220 163.9531 -267520.6363 -222039.4533 163.9531 -344.6455 -2232.2131 921491.4634 -344.6455 -2232.2131
ENERGY: 476 19235.7862 20282.0272 5715.7683 184.0125 -336100.0896 23115.8454 0.0000 0.0000 45106.0636 -222460.5864 164.0835 -267566.6500 -222053.6141 164.0835 -92.4054 -2183.0656 921491.4634 -92.4054 -2183.0656
ENERGY: 477 19704.7249 20145.9811 5718.4976 185.9230 -336101.8782 23114.2927 0.0000 0.0000 44812.3211 -222420.1377 163.0149 -267232.4588 -222044.8414 163.0149 -667.4950 -2171.8232 921491.4634 -667.4950 -2171.8232
ENERGY: 478 20493.4774 19974.7637 5721.0254 187.7262 -336537.4028 23131.2448 0.0000 0.0000 44627.0336 -222402.1318 162.3409 -267029.1653 -222047.4110 162.3409 -1807.1607 -2198.7959 921491.4634 -1807.1607 -2198.7959
ENERGY: 479 21125.3055 19793.3956 5723.3295 189.2099 -337215.5830 23156.6761 0.0000 0.0000 44802.1579 -222425.5086 162.9779 -267227.6665 -222050.5463 162.9779 -3089.8518 -2246.7920 921491.4634 -3089.8518 -2246.7920
TIMING: 480 CPU: 225.049, 0.457823/step Wall: 225.049, 0.457823/step, 0.00254346 hours remaining, 3222.078125 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0325 19623.1965 5725.3111 190.1901 -337854.6776 23181.5108 0.0000 0.0000 45051.6814 -222458.7552 163.8856 -267510.4366 -222064.6211 163.8856 -4077.7328 -2291.4894 921491.4634 -4077.7328 -2291.4894
ENERGY: 481 22092.4853 19510.0435 5727.0952 190.6351 -338199.2472 23196.7950 0.0000 0.0000 45041.3366 -222440.8564 163.8480 -267482.1930 -222052.5267 163.8480 -4466.2395 -2305.6734 921491.4634 -4466.2395 -2305.6734
ENERGY: 482 22186.3467 19466.6797 5728.4964 190.3598 -338044.5411 23192.7466 0.0000 0.0000 44865.8518 -222414.0602 163.2096 -267279.9120 -222051.4114 163.2096 -4059.3099 -2278.0617 921491.4634 -4059.3099 -2278.0617
ENERGY: 483 21553.1411 19511.5749 5729.5660 189.3227 -337426.2179 23165.8733 0.0000 0.0000 44861.8969 -222414.8431 163.1953 -267276.7400 -222048.7674 163.1953 -2964.1723 -2216.4117 921491.4634 -2964.1723 -2216.4117
ENERGY: 484 20460.8923 19631.1943 5730.2465 187.5455 -336590.8878 23126.1344 0.0000 0.0000 45003.6031 -222451.2717 163.7107 -267454.8748 -222059.8742 163.7107 -1565.2425 -2143.1851 921491.4634 -1565.2425 -2143.1851
ENERGY: 485 19688.7719 19800.2995 5730.5256 185.2458 -335902.5861 23092.8464 0.0000 0.0000 44955.5723 -222449.3246 163.5360 -267404.8969 -222045.9606 163.5360 -422.1570 -2086.8736 921491.4634 -422.1570 -2086.8736
ENERGY: 486 19602.5426 19954.8179 5729.7198 182.4662 -335612.3563 23080.3801 0.0000 0.0000 44645.9115 -222416.5182 162.4096 -267062.4297 -222044.6761 162.4096 87.3180 -2070.0983 921491.4634 87.3180 -2070.0983
ENERGY: 487 19881.0924 20072.0216 5727.4347 179.4360 -335846.4478 23091.0538 0.0000 0.0000 44503.3493 -222392.0600 161.8910 -266895.4092 -222045.2407 161.8910 -192.2347 -2106.8841 921491.4634 -192.2347 -2106.8841
ENERGY: 488 20125.2096 20156.1364 5723.5441 176.4338 -336552.5451 23118.8611 0.0000 0.0000 44827.0558 -222425.3043 163.0685 -267252.3601 -222057.1941 163.0685 -1145.7535 -2194.6681 921491.4634 -1145.7535 -2194.6681
ENERGY: 489 20526.8869 20236.4610 5718.5749 173.8639 -337540.4655 23156.7306 0.0000 0.0000 45266.1006 -222461.8475 164.6656 -267727.9481 -222045.6088 164.6656 -2511.2405 -2316.7067 921491.4634 -2511.2405 -2316.7067
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7489 20292.9022 5712.8912 171.8438 -338458.1362 23196.4874 0.0000 0.0000 45213.5631 -222459.6996 164.4745 -267673.2626 -222048.2210 164.4745 -3823.4039 -2437.4155 921491.4634 -3823.4039 -2437.4155
ENERGY: 491 22430.4641 20312.1360 5707.3795 170.5404 -338984.5796 23226.0934 0.0000 0.0000 44733.0091 -222404.9571 162.7264 -267137.9662 -222049.4640 162.7264 -4629.6934 -2524.6214 921491.4634 -4629.6934 -2524.6214
ENERGY: 492 22612.9548 20289.6809 5702.9944 170.0207 -338937.5821 23232.7203 0.0000 0.0000 44542.1954 -222387.0154 162.0323 -266929.2108 -222060.3864 162.0323 -4606.8524 -2557.4730 921491.4634 -4606.8524 -2557.4730
ENERGY: 493 21558.2188 20260.7373 5700.7779 170.3200 -338358.0639 23214.0536 0.0000 0.0000 45033.8234 -222420.1330 163.8207 -267453.9564 -222046.5904 163.8207 -3796.3819 -2540.0996 921491.4634 -3796.3819 -2540.0996
ENERGY: 494 20068.3366 20225.0260 5700.9805 171.2192 -337454.3842 23183.0795 0.0000 0.0000 45622.2480 -222483.4943 165.9612 -268105.7423 -222044.0871 165.9612 -2500.8992 -2482.1068 921491.4634 -2500.8992 -2482.1068
ENERGY: 495 19383.2463 20186.8300 5703.5926 172.5416 -336566.9893 23159.4625 0.0000 0.0000 45484.1235 -222477.1929 165.4587 -267961.3164 -222041.5567 165.4587 -1249.6837 -2407.3055 921491.4634 -1249.6837 -2407.3055
ENERGY: 496 19722.4834 20130.6473 5708.0350 174.0933 -335998.7160 23154.2636 0.0000 0.0000 44699.5273 -222409.6661 162.6046 -267109.1934 -222049.0671 162.6046 -478.8996 -2343.4749 921491.4634 -478.8996 -2343.4749
ENERGY: 497 20212.6667 20059.9178 5713.4613 175.7241 -335952.5047 23166.3547 0.0000 0.0000 44261.0291 -222363.3511 161.0095 -266624.3802 -222042.7501 161.0095 -421.0230 -2316.7926 921491.4634 -421.0230 -2316.7926
ENERGY: 498 20182.0163 19957.1218 5718.5596 177.2604 -336366.4938 23189.3587 0.0000 0.0000 44728.2536 -222413.9234 162.7091 -267142.1770 -222044.5220 162.7091 -993.4677 -2331.6471 921491.4634 -993.4677 -2331.6471
ENERGY: 499 20158.0676 19847.7312 5722.4089 178.6361 -337058.4830 23219.2407 0.0000 0.0000 45439.2645 -222493.1340 165.2956 -267932.3985 -222047.2063 165.2956 -2020.8685 -2376.3388 921491.4634 -2020.8685 -2376.3388
Info: Benchmark time: 4 CPUs 0.457522 s/step 5.2954 days/ns 3222.08 MB memory
TIMING: 500 CPU: 234.136, 0.454357/step Wall: 234.136, 0.454357/step, 0 hours remaining, 3222.078125 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 20974.8935 19756.6588 5724.4523 179.8271 -337741.4205 23251.1013 0.0000 0.0000 45359.0779 -222495.4097 165.0039 -267854.4875 -222061.0915 165.0039 -3197.5166 -2425.4141 921491.4634 -3197.5166 -2425.4141
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3227.332 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3227.332 MB of memory in use
====================================================
WallClock: 237.612854 CPUTime: 237.612854 Memory: 3227.332031 MB
[Partition 0][Node 0] End of program
Application 287071 resources: utime ~939s, stime ~13s, Rss ~127024, inblocks ~66575, outblocks ~71264
[SSH] exit-status: 0
[NAMD-Run] $ /bin/sh -xe /tmp/hudson3328922449729122837.sh
+ scp [email protected]:/scratch/jenkins/applications/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/workspace/NAMD-Run
NCSA JYC System
Access status: User Access UnRestricted.
Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.
+ scp [email protected]:/scratch/jenkins/applications/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/workspace/NAMD-Run
NCSA JYC System
Access status: User Access UnRestricted.
Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.
+ scp [email protected]:/scratch/jenkins/applications/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/workspace/NAMD-Run
NCSA JYC System
Access status: User Access UnRestricted.
Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.
Recording plot data
Saving plot series data from: /var/lib/jenkins/workspace/NAMD-Run/wallclock
Saving plot series data from: /var/lib/jenkins/workspace/NAMD-Run/cputime
Saving plot series data from: /var/lib/jenkins/workspace/NAMD-Run/memory
Finished: SUCCESS
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