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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 ============== 54.447
LDB: Largest compute 200 load 0.434187 is 1.2% of average load 36.790237
LDB: Average compute 0.051535 is 0.1% of average load 36.790237
LDB: Partitioning computes with target load 3.679024
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055878
LDB: ============== END OF LOAD BALANCING =============== 54.4491
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.45
Info: Initial time: 4 CPUs 0.475604 s/step 5.50467 days/ns 3221.41 MB memory
TIMING: 100 CPU: 48.5327, 0.474691/step Wall: 48.5327, 0.474691/step, 0.0527434 hours remaining, 3221.414062 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 ============== 63.9245
LDB: ============== END OF LOAD BALANCING =============== 63.9246
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9251
TIMING: 120 CPU: 58.0042, 0.473576/step Wall: 58.0042, 0.473576/step, 0.0499886 hours remaining, 3221.691406 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: 67.4718, 0.47338/step Wall: 67.4718, 0.47338/step, 0.047338 hours remaining, 3221.867188 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: 76.9279, 0.472805/step Wall: 76.9279, 0.472805/step, 0.0446538 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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ENERGY: 178 21917.7898 18733.9559 5737.6245 154.5770 -332975.2975 21015.2133 0.0000 0.0000 43101.1545 -222314.9825 156.7902 -265416.1369 -222126.1322 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
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TIMING: 180 CPU: 86.37, 0.472107/step Wall: 86.37, 0.472107/step, 0.041965 hours remaining, 3222.171875 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 186 19266.0405 19234.9570 5686.4352 181.9571 -332240.0939 21043.7460 0.0000 0.0000 44391.5886 -222435.3693 161.4844 -266826.9580 -222129.2890 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2966 19471.4303 5678.7398 184.6336 -333156.1128 21076.9265 0.0000 0.0000 42449.0056 -222222.0803 154.4178 -264671.0859 -222130.9082 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 21700.3669 19122.7581 5714.1451 184.7200 -332668.2729 21129.4588 0.0000 0.0000 42574.3654 -222242.4586 154.8738 -264816.8240 -222086.7178 154.8738 -3040.7436 -2596.5494 921491.4634 -3040.7436 -2596.5494
ENERGY: 198 21224.0060 18800.3006 5711.3574 186.3640 -333385.4996 21161.1534 0.0000 0.0000 43911.2864 -222391.0319 159.7372 -266302.3183 -222090.4390 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.735
LDB: Largest compute 200 load 0.428457 is 1.2% of average load 36.605729
LDB: Average compute 0.051272 is 0.1% of average load 36.605729
LDB: TIME 101.737 LOAD: AVG 36.6057 MAX 37.8099 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.48 MB
LDB: TIME 101.739 LOAD: AVG 36.6057 MAX 37.6079 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.48 MB
LDB: ============== END OF LOAD BALANCING =============== 101.741
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.744
Info: Initial time: 4 CPUs 0.472752 s/step 5.47167 days/ns 3223.55 MB memory
TIMING: 200 CPU: 95.8178, 0.472387/step Wall: 95.8178, 0.472387/step, 0.0393656 hours remaining, 3223.550781 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 203 20743.8944 19130.0390 5729.2400 192.0764 -333501.9372 21215.8254 0.0000 0.0000 44059.6986 -222431.1634 160.2771 -266490.8620 -222093.6427 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
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ENERGY: 208 20293.2702 20371.8903 5718.1572 182.8654 -334789.2376 21322.2410 0.0000 0.0000 44428.6270 -222472.1864 161.6191 -266900.8135 -222122.6313 161.6191 -3669.0641 -2719.7951 921491.4634 -3669.0641 -2719.7951
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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: 210 21385.1735 20194.2568 5705.3139 178.4614 -336615.7767 21385.1096 0.0000 0.0000 45251.4334 -222516.0281 164.6123 -267767.4615 -222108.2015 164.6123 -6091.3662 -2896.2626 921491.4634 -6091.3662 -2896.2626
ENERGY: 211 24099.1929 19985.8631 5704.9373 176.9105 -336667.8926 21415.1477 0.0000 0.0000 43031.7285 -222254.1127 156.5376 -265285.8412 -222106.8540 156.5376 -5900.2977 -2885.1009 921491.4634 -5900.2977 -2885.1009
ENERGY: 212 23739.2709 19730.8222 5710.0295 176.0352 -336013.6226 21412.5983 0.0000 0.0000 42995.1638 -222249.7026 156.4046 -265244.8663 -222104.2318 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2160 19524.5249 5720.1722 175.9508 -334874.6442 21380.5552 0.0000 0.0000 45418.7805 -222504.4446 165.2210 -267923.2251 -222097.3834 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5528 19421.7449 5733.3059 176.6827 -333645.3935 21358.4486 0.0000 0.0000 46958.4701 -222681.1884 170.8220 -269639.6586 -222093.7407 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5055 19441.9744 5746.5772 178.1492 -332787.3321 21379.5597 0.0000 0.0000 45302.6744 -222527.8916 164.7987 -267830.5661 -222091.0447 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4716 19522.5063 5756.9571 180.1770 -332560.1062 21436.4836 0.0000 0.0000 42442.1787 -222248.3318 154.3930 -264690.5105 -222073.6156 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3867 19581.4821 5762.2416 182.5517 -333010.6759 21497.2706 0.0000 0.0000 41983.6750 -222225.0683 152.7251 -264208.7433 -222064.4465 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9157 19540.0891 5761.2415 184.9927 -333856.1148 21546.6562 0.0000 0.0000 44178.6836 -222478.5361 160.7099 -266657.2197 -222068.8155 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
ENERGY: 219 19429.8640 19413.3932 5754.3577 187.2447 -334778.0710 21596.8809 0.0000 0.0000 45751.9297 -222644.4008 166.4329 -268396.3305 -222073.1720 166.4329 -4457.7332 -2810.5237 921491.4634 -4457.7332 -2810.5237
TIMING: 220 CPU: 105.254, 0.471799/step Wall: 105.254, 0.471799/step, 0.0366955 hours remaining, 3223.550781 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: 240 CPU: 114.679, 0.47126/step Wall: 114.679, 0.47126/step, 0.0340354 hours remaining, 3223.550781 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: 242 22110.7716 20111.8208 5758.5348 169.0441 -335904.8196 21831.0568 0.0000 0.0000 43526.8718 -222396.7197 158.3388 -265923.5915 -222063.5737 158.3388 -4623.1688 -2633.0912 921491.4634 -4623.1688 -2633.0912
ENERGY: 243 19462.3620 19969.6445 5749.3614 168.8705 -335233.7067 21770.4749 0.0000 0.0000 45537.0689 -222575.9247 165.6513 -268112.9935 -222061.6675 165.6513 -3760.4504 -2614.6991 921491.4634 -3760.4504 -2614.6991
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ENERGY: 246 20878.5480 19853.7024 5716.8932 174.1558 -334213.1204 21705.0851 0.0000 0.0000 43600.4181 -222284.3178 158.6063 -265884.7359 -222067.4295 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5286 19979.6439 5712.7400 177.5412 -334802.1841 21719.8455 0.0000 0.0000 44912.1911 -222431.6937 163.3782 -267343.8848 -222068.1394 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4925 20164.4296 5713.8450 181.3144 -335623.1354 21746.4311 0.0000 0.0000 46185.9361 -222595.6866 168.0117 -268781.6227 -222090.3128 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -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
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ENERGY: 252 21994.9042 20013.1600 5733.2541 193.8023 -336093.2677 21826.9296 0.0000 0.0000 43905.3719 -222425.8456 159.7157 -266331.2175 -222091.3305 159.7157 -3843.4681 -2758.0338 921491.4634 -3843.4681 -2758.0338
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ENERGY: 256 20899.4409 18950.9578 5693.4518 195.6570 -332975.5973 21757.6848 0.0000 0.0000 43181.1612 -222297.2438 157.0812 -265478.4050 -222071.2740 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
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ENERGY: 258 19453.5867 18882.0666 5673.2911 193.6684 -334373.1545 21817.5078 0.0000 0.0000 45796.2577 -222556.7762 166.5942 -268353.0340 -222062.0608 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 124.101, 0.471109/step Wall: 124.101, 0.471109/step, 0.0314073 hours remaining, 3223.855469 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: 263 19781.1228 20140.5621 5703.8103 187.9445 -335614.9713 21924.4740 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 19385.2259 20436.4304 5710.6950 187.5052 -334855.9510 21907.7772 0.0000 0.0000 44751.4784 -222476.8389 162.7936 -267228.3172 -222069.1983 162.7936 -2191.1925 -2723.5293 921491.4634 -2191.1925 -2723.5293
ENERGY: 265 19946.8414 20681.9924 5713.6241 187.4392 -334395.6631 21906.0163 0.0000 0.0000 43607.6375 -222352.1120 158.6326 -265959.7495 -222054.3371 158.6326 -2038.0572 -2683.6034 921491.4634 -2038.0572 -2683.6034
ENERGY: 266 20048.7899 20788.8700 5712.1327 187.6137 -334399.4577 21914.4805 0.0000 0.0000 43399.3797 -222348.1912 157.8750 -265747.5709 -222054.3634 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0906 20691.2678 5707.0583 187.8501 -334831.4856 21930.8374 0.0000 0.0000 44220.2168 -222446.1646 160.8610 -266666.3814 -222055.6584 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9161 20375.7516 5700.1930 187.9286 -335513.7451 21959.1257 0.0000 0.0000 44823.5377 -222504.2924 163.0557 -267327.8301 -222075.9875 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
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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: 270 22620.1933 19450.9169 5690.3173 187.1618 -336650.6777 22028.8071 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
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ENERGY: 272 21021.5584 18896.0663 5692.8269 184.9335 -335921.4615 22015.0580 0.0000 0.0000 45607.7075 -222503.3110 165.9083 -268111.0185 -222081.1571 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9081 5697.5118 183.8526 -334925.7012 21985.5296 0.0000 0.0000 45502.7160 -222499.9695 165.5264 -268002.6855 -222069.0459 165.5264 -1837.1974 -2434.6759 921491.4634 -1837.1974 -2434.6759
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ENERGY: 276 19401.8501 19594.7507 5701.2547 182.4904 -333292.1280 21971.0410 0.0000 0.0000 44028.5271 -222412.2140 160.1637 -266440.7411 -222072.9395 160.1637 -1580.1299 -2417.6040 921491.4634 -1580.1299 -2417.6040
ENERGY: 277 19149.2972 19724.7159 5695.5210 182.9396 -333864.3453 21997.2387 0.0000 0.0000 44632.8110 -222481.8218 162.3619 -267114.6328 -222061.0988 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4578 19713.7759 5686.9122 183.6585 -334821.1003 22041.3359 0.0000 0.0000 44532.2539 -222463.7062 161.9961 -266995.9600 -222063.4131 161.9961 -3254.8158 -2593.7697 921491.4634 -3254.8158 -2593.7697
ENERGY: 279 21984.3650 19593.9430 5677.5176 184.5187 -335888.5800 22096.4200 0.0000 0.0000 43975.0879 -222376.7279 159.9693 -266351.8158 -222065.2024 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 133.506, 0.470262/step Wall: 133.506, 0.470262/step, 0.0287382 hours remaining, 3223.855469 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 280 22859.3231 19458.4366 5670.0026 185.3899 -336752.6633 22145.1355 0.0000 0.0000 44066.7337 -222367.6419 160.3027 -266434.3756 -222073.4247 160.3027 -4286.3895 -2748.0546 921491.4634 -4286.3895 -2748.0546
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ENERGY: 282 20943.7898 19615.5378 5669.9796 186.8360 -336942.5034 22176.7655 0.0000 0.0000 45823.3368 -222526.2578 166.6927 -268349.5946 -222063.3316 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
ENERGY: 283 20432.1060 19966.6614 5678.8137 187.1634 -336251.9200 22171.0649 0.0000 0.0000 45328.8519 -222487.2587 164.8939 -267816.1107 -222060.8460 164.8939 -2008.7735 -2748.2306 921491.4634 -2008.7735 -2748.2306
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ENERGY: 285 20203.3286 20789.9629 5707.3564 186.7145 -334827.1965 22167.0166 0.0000 0.0000 43418.2631 -222354.5544 157.9437 -265772.8175 -222053.5966 157.9437 -1010.8436 -2700.0820 921491.4634 -1010.8436 -2700.0820
ENERGY: 286 19396.6309 20966.5622 5721.5031 185.8229 -334658.1148 22176.6864 0.0000 0.0000 43785.6881 -222425.2211 159.2803 -266210.9093 -222054.0581 159.2803 -1306.7501 -2717.2847 921491.4634 -1306.7501 -2717.2847
ENERGY: 287 19176.1191 20856.7823 5731.9346 184.4714 -334918.1481 22200.2911 0.0000 0.0000 44282.9438 -222485.6058 161.0892 -266768.5496 -222055.7252 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2089 20475.2852 5736.9557 182.7335 -335468.3151 22237.9038 0.0000 0.0000 44116.9905 -222455.2375 160.4855 -266572.2280 -222066.9053 160.4855 -3310.5880 -2790.1553 921491.4634 -3310.5880 -2790.1553
ENERGY: 289 21886.4835 19928.6979 5736.1905 180.7560 -336126.9125 22279.0691 0.0000 0.0000 43733.4513 -222382.2642 159.0903 -266115.7155 -222062.2724 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 22615.9846 19325.5266 5730.3279 178.6973 -336571.4577 22308.2175 0.0000 0.0000 44027.4235 -222385.2803 160.1597 -266412.7037 -222063.4684 160.1597 -4815.3287 -2796.0390 921491.4634 -4815.3287 -2796.0390
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LDB: ============= START OF LOAD BALANCING ============== 148.856
LDB: Largest compute 230 load 0.520203 is 1.1% of average load 45.729859
LDB: Average compute 0.064054 is 0.1% of average load 45.729859
LDB: TIME 148.858 LOAD: AVG 45.7299 MAX 47.1117 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.05 MB
LDB: TIME 148.858 LOAD: AVG 45.7299 MAX 47.1117 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.05 MB
LDB: TIME 148.875 LOAD: AVG 45.7299 MAX 46.2342 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.05 MB
LDB: ============== END OF LOAD BALANCING =============== 148.876
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.877
Info: Initial time: 4 CPUs 0.470806 s/step 5.44914 days/ns 3224.05 MB memory
TIMING: 300 CPU: 142.92, 0.470667/step Wall: 142.92, 0.470667/step, 0.0261482 hours remaining, 3224.054688 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: 152.135, 0.46078/step Wall: 152.135, 0.46078/step, 0.023039 hours remaining, 3224.054688 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: 323 21976.7004 21085.8080 5695.4506 181.8003 -337194.0743 22550.8104 0.0000 0.0000 43361.4902 -222342.0145 157.7372 -265703.5047 -222061.4464 157.7372 -3808.3604 -2616.6943 921491.4634 -3808.3604 -2616.6943
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ENERGY: 327 20020.7820 19506.2794 5669.7116 187.2139 -334851.2530 22513.0146 0.0000 0.0000 44550.7424 -222403.5090 162.0634 -266954.2514 -222059.8761 162.0634 -657.4991 -2506.5013 921491.4634 -657.4991 -2506.5013
ENERGY: 328 20934.1979 19092.0092 5666.7484 187.7399 -335303.4712 22549.7454 0.0000 0.0000 44493.2355 -222379.7950 161.8542 -266873.0305 -222061.7261 161.8542 -1393.2038 -2547.3518 921491.4634 -1393.2038 -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: 336 19127.9133 19639.0995 5698.6021 180.2744 -334271.7853 22519.6999 0.0000 0.0000 44649.6645 -222456.5317 162.4232 -267106.1962 -222055.6202 162.4232 -1093.5004 -2488.8702 921491.4634 -1093.5004 -2488.8702
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ENERGY: 338 21007.5746 19722.4643 5687.5590 179.5437 -335808.8620 22564.1945 0.0000 0.0000 44285.9170 -222361.6089 161.1000 -266647.5259 -222041.5959 161.1000 -1500.9499 -2462.8576 921491.4634 -1500.9499 -2462.8576
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TIMING: 340 CPU: 161.345, 0.460486/step Wall: 161.345, 0.460486/step, 0.020466 hours remaining, 3224.054688 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: 347 20669.8295 19583.9410 5696.3949 182.8447 -334881.4383 22581.1980 0.0000 0.0000 43831.1328 -222336.0974 159.4456 -266167.2302 -222056.9472 159.4456 -1358.8146 -2194.9212 921491.4634 -1358.8146 -2194.9212
ENERGY: 348 21062.2472 19315.9903 5689.3479 182.7918 -335425.6667 22604.2199 0.0000 0.0000 44195.9876 -222375.0820 160.7729 -266571.0696 -222064.0948 160.7729 -1766.2767 -2218.9157 921491.4634 -1766.2767 -2218.9157
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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: 350 21009.3452 19066.8675 5675.7227 182.5405 -336836.8354 22661.9752 0.0000 0.0000 45710.0736 -222530.3107 166.2807 -268240.3843 -222058.0877 166.2807 -2896.5510 -2326.8867 921491.4634 -2896.5510 -2326.8867
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ENERGY: 352 22912.9247 19180.1282 5672.7329 182.2243 -336794.7855 22708.6917 0.0000 0.0000 43795.3992 -222342.6844 159.3156 -266138.0836 -222059.3900 159.3156 -3190.0136 -2394.0290 921491.4634 -3190.0136 -2394.0290
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ENERGY: 355 18879.8416 19773.7509 5689.2466 181.9196 -334823.9953 22664.4417 0.0000 0.0000 45120.2677 -222514.5273 164.1351 -267634.7950 -222044.8384 164.1351 -1600.3169 -2424.6828 921491.4634 -1600.3169 -2424.6828
ENERGY: 356 19622.4370 20015.8110 5694.4280 181.9402 -334758.7690 22674.4075 0.0000 0.0000 44153.0884 -222416.6568 160.6168 -266569.7453 -222053.0965 160.6168 -1622.0263 -2446.8267 921491.4634 -1622.0263 -2446.8267
ENERGY: 357 20687.2712 20255.1055 5697.1707 182.0215 -335288.0645 22700.2944 0.0000 0.0000 43438.0177 -222328.1833 158.0156 -265766.2010 -222042.2333 158.0156 -2061.3608 -2486.6663 921491.4634 -2061.3608 -2486.6663
ENERGY: 358 20785.4067 20424.8429 5696.9832 182.1295 -336225.9478 22730.2414 0.0000 0.0000 44019.5822 -222386.7619 160.1311 -266406.3440 -222043.9948 160.1311 -2636.8583 -2541.3594 921491.4634 -2636.8583 -2541.3594
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TIMING: 360 CPU: 170.549, 0.4602/step Wall: 170.549, 0.4602/step, 0.0178966 hours remaining, 3224.054688 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: 378 20473.8101 20495.6593 5711.4639 183.2952 -336584.2273 22821.5831 0.0000 0.0000 44474.7535 -222423.6620 161.7869 -266898.4156 -222044.3967 161.7869 -2972.9876 -2523.3500 921491.4634 -2972.9876 -2523.3500
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TIMING: 380 CPU: 179.747, 0.459913/step Wall: 179.747, 0.459913/step, 0.0153304 hours remaining, 3224.054688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 384 19625.4113 19596.0354 5710.5349 179.0647 -336052.0485 22884.2529 0.0000 0.0000 45539.1834 -222517.5660 165.6590 -268056.7493 -222062.0927 165.6590 -569.2380 -2166.9359 921491.4634 -569.2380 -2166.9359
ENERGY: 385 19327.8180 19356.8912 5707.7752 177.4354 -335210.6401 22871.6139 0.0000 0.0000 45299.7172 -222469.3891 164.7879 -267769.1063 -222051.0995 164.7879 215.3514 -2064.3638 921491.4634 215.3514 -2064.3638
ENERGY: 386 19981.2273 19220.9465 5707.6638 175.9385 -334865.1819 22880.7953 0.0000 0.0000 44519.8587 -222378.7518 161.9510 -266898.6105 -222051.0439 161.9510 122.6668 -2011.2429 921491.4634 122.6668 -2011.2429
ENERGY: 387 20367.2861 19202.4845 5710.9355 174.6759 -335109.8728 22905.2739 0.0000 0.0000 44377.1817 -222372.0351 161.4320 -266749.2168 -222053.0052 161.4320 -738.9588 -2019.1690 921491.4634 -738.9588 -2019.1690
ENERGY: 388 20282.3989 19280.0169 5717.2935 173.7038 -335824.1520 22938.2896 0.0000 0.0000 44972.7761 -222459.6733 163.5986 -267432.4494 -222067.4819 163.5986 -2063.8557 -2076.2823 921491.4634 -2063.8557 -2076.2823
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 398 19692.8117 20133.3591 5716.9814 176.0456 -336812.3376 23014.0581 0.0000 0.0000 45592.7322 -222486.3495 165.8538 -268079.0816 -222045.7221 165.8538 -1710.2239 -2443.6966 921491.4634 -1710.2239 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 194.908
LDB: Largest compute 230 load 0.526446 is 1.2% of average load 45.686113
LDB: Average compute 0.063978 is 0.1% of average load 45.686113
LDB: TIME 194.909 LOAD: AVG 45.6861 MAX 46.0307 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.05 MB
LDB: TIME 194.91 LOAD: AVG 45.6861 MAX 46.0307 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.05 MB
LDB: TIME 194.91 LOAD: AVG 45.6861 MAX 46.0307 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.05 MB
LDB: ============== END OF LOAD BALANCING =============== 194.911
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.912
Info: Benchmark time: 4 CPUs 0.460251 s/step 5.32698 days/ns 3224.05 MB memory
TIMING: 400 CPU: 188.949, 0.460073/step Wall: 188.949, 0.460073/step, 0.0127798 hours remaining, 3224.054688 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 19942.3169 20661.9894 5710.0857 195.6953 -336157.5863 23063.1718 0.0000 0.0000 44200.2848 -222384.0423 160.7885 -266584.3271 -222052.9646 160.7885 -282.7613 -2224.6896 921491.4634 -282.7613 -2224.6896
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ENERGY: 418 20154.6650 20457.0909 5705.5848 188.6536 -336970.7873 23098.6730 0.0000 0.0000 44915.1420 -222450.9780 163.3889 -267366.1200 -222046.7095 163.3889 -671.8548 -2269.9921 921491.4634 -671.8548 -2269.9921
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TIMING: 420 CPU: 198.124, 0.458767/step Wall: 198.124, 0.458767/step, 0.0101948 hours remaining, 3224.054688 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: 430 22013.9872 20024.3738 5712.1700 168.1897 -338096.9210 23149.4496 0.0000 0.0000 44626.3101 -222402.4407 162.3383 -267028.7508 -222047.3915 162.3383 -2472.2458 -2268.0465 921491.4634 -2472.2458 -2268.0465
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ENERGY: 432 21768.3703 20188.6723 5710.3547 168.1086 -338651.2102 23176.0848 0.0000 0.0000 45177.9910 -222461.6285 164.3451 -267639.6195 -222065.9058 164.3451 -3350.2740 -2296.1496 921491.4634 -3350.2740 -2296.1496
ENERGY: 433 21200.9072 20275.9662 5710.3763 168.4633 -338164.0637 23162.2913 0.0000 0.0000 45192.9283 -222453.1311 164.3995 -267646.0594 -222052.5982 164.3995 -3187.3730 -2272.1275 921491.4634 -3187.3730 -2272.1275
ENERGY: 434 20730.3412 20338.1497 5711.6061 169.3247 -337394.2703 23140.7737 0.0000 0.0000 44883.0998 -222420.9752 163.2724 -267304.0749 -222051.1462 163.2724 -2694.3104 -2227.7884 921491.4634 -2694.3104 -2227.7884
ENERGY: 435 20235.2200 20362.4012 5714.0003 170.8455 -336680.6554 23123.4099 0.0000 0.0000 44675.9840 -222398.7944 162.5190 -267074.7785 -222049.5889 162.5190 -2061.3579 -2179.8950 921491.4634 -2061.3579 -2179.8950
ENERGY: 436 19670.9242 20349.9979 5717.2345 173.0864 -336303.8812 23119.9080 0.0000 0.0000 44847.0984 -222425.6318 163.1414 -267272.7302 -222059.6960 163.1414 -1520.6597 -2145.1616 921491.4634 -1520.6597 -2145.1616
ENERGY: 437 19434.5517 20329.5091 5720.9894 175.9827 -336411.9786 23136.3870 0.0000 0.0000 45159.2688 -222455.2901 164.2770 -267614.5589 -222050.7503 164.2770 -1319.1169 -2134.4847 921491.4634 -1319.1169 -2134.4847
ENERGY: 438 19935.1533 20278.6094 5724.6884 179.3848 -336899.4579 23173.5521 0.0000 0.0000 45148.1324 -222459.9374 164.2365 -267608.0698 -222051.5669 164.2365 -1493.0943 -2145.0880 921491.4634 -1493.0943 -2145.0880
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TIMING: 440 CPU: 207.287, 0.458135/step Wall: 207.287, 0.458135/step, 0.00763559 hours remaining, 3224.054688 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 22071.5683 20036.2372 5729.7527 186.7201 -338123.1814 23276.2487 0.0000 0.0000 44417.5460 -222405.1084 161.5788 -266822.6543 -222059.4777 161.5788 -2408.4615 -2197.9672 921491.4634 -2408.4615 -2197.9672
ENERGY: 441 22355.5486 19860.0410 5730.3488 190.1145 -338361.1722 23313.2046 0.0000 0.0000 44502.6964 -222409.2184 161.8886 -266911.9148 -222050.0865 161.8886 -2716.1029 -2221.5314 921491.4634 -2716.1029 -2221.5314
ENERGY: 442 21853.6117 19664.5350 5729.4854 192.9411 -338090.1539 23327.1568 0.0000 0.0000 44880.6320 -222441.7918 163.2634 -267322.4238 -222049.7760 163.2634 -2710.5576 -2229.0697 921491.4634 -2710.5576 -2229.0697
ENERGY: 443 21064.3315 19487.0724 5727.6164 194.9329 -337369.3156 23320.0158 0.0000 0.0000 45118.1107 -222457.2359 164.1273 -267575.3466 -222048.6001 164.1273 -2448.1647 -2220.3531 921491.4634 -2448.1647 -2220.3531
ENERGY: 444 20449.3362 19357.2691 5725.4095 195.8735 -336464.1926 23301.5276 0.0000 0.0000 44987.7176 -222447.0591 163.6530 -267434.7767 -222057.9800 163.6530 -2090.2097 -2206.4399 921491.4634 -2090.2097 -2206.4399
ENERGY: 445 20125.5607 19307.2518 5723.6513 195.6942 -335759.3917 23283.8139 0.0000 0.0000 44708.7153 -222414.7045 162.6380 -267123.4198 -222046.5431 162.6380 -1846.9624 -2201.6925 921491.4634 -1846.9624 -2201.6925
ENERGY: 446 19947.6805 19324.9007 5722.5430 194.3235 -335494.5711 23276.0451 0.0000 0.0000 44620.2943 -222408.7842 162.3164 -267029.0785 -222046.1623 162.3164 -1800.7518 -2216.7293 921491.4634 -1800.7518 -2216.7293
ENERGY: 447 19914.2849 19416.0211 5722.2107 191.8641 -335769.4402 23282.7458 0.0000 0.0000 44816.5084 -222425.8053 163.0301 -267242.3137 -222046.8346 163.0301 -1993.3113 -2253.0603 921491.4634 -1993.3113 -2253.0603
ENERGY: 448 20187.5923 19583.6800 5722.5764 188.5554 -336503.1801 23303.8903 0.0000 0.0000 45065.6669 -222451.2188 163.9365 -267516.8857 -222059.3483 163.9365 -2372.1881 -2303.7899 921491.4634 -2372.1881 -2303.7899
ENERGY: 449 20877.4061 19832.6985 5723.5712 184.8596 -337500.9070 23334.5922 0.0000 0.0000 45101.1672 -222446.6122 164.0657 -267547.7794 -222047.7102 164.0657 -2827.1083 -2356.1407 921491.4634 -2827.1083 -2356.1407
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4853 20108.1298 5724.4776 181.0897 -338419.3245 23364.6241 0.0000 0.0000 44854.3091 -222432.2089 163.1676 -267286.5180 -222048.7863 163.1676 -3116.6758 -2394.3896 921491.4634 -3116.6758 -2394.3896
ENERGY: 451 22355.5901 20357.7252 5724.7144 177.6517 -338952.0902 23381.8005 0.0000 0.0000 44542.6981 -222411.9103 162.0341 -266954.6084 -222048.8248 162.0341 -3074.2533 -2405.7798 921491.4634 -3074.2533 -2405.7798
ENERGY: 452 22246.2013 20536.0131 5723.8953 174.8859 -338927.1529 23378.0941 0.0000 0.0000 44452.9191 -222415.1441 161.7075 -266868.0632 -222059.6372 161.7075 -2659.9604 -2384.7568 921491.4634 -2659.9604 -2384.7568
ENERGY: 453 21399.8724 20641.1307 5722.2878 173.1350 -338392.7925 23354.5904 0.0000 0.0000 44683.7030 -222418.0731 162.5470 -267101.7761 -222043.5373 162.5470 -2048.3336 -2342.4668 921491.4634 -2048.3336 -2342.4668
ENERGY: 454 20248.3379 20654.1371 5720.2217 172.3637 -337567.1406 23320.6898 0.0000 0.0000 45008.1462 -222443.2443 163.7273 -267451.3905 -222041.8392 163.7273 -1453.4577 -2293.1451 921491.4634 -1453.4577 -2293.1451
ENERGY: 455 19486.7905 20584.7118 5718.4844 172.5169 -336790.6446 23290.4019 0.0000 0.0000 45086.5785 -222451.1604 164.0126 -267537.7390 -222040.8571 164.0126 -1151.8824 -2255.8572 921491.4634 -1151.8824 -2255.8572
ENERGY: 456 19493.3721 20440.6800 5717.7555 173.4248 -336350.1071 23274.9627 0.0000 0.0000 44811.4723 -222438.4397 163.0118 -267249.9119 -222055.3487 163.0118 -1305.5006 -2245.5825 921491.4634 -1305.5006 -2245.5825
ENERGY: 457 20047.4930 20251.9435 5718.5580 174.9241 -336395.8163 23277.8270 0.0000 0.0000 44521.8704 -222403.2004 161.9583 -266925.0707 -222049.4134 161.9583 -1906.4169 -2263.5015 921491.4634 -1906.4169 -2263.5015
ENERGY: 458 20585.8436 20019.2724 5720.7060 176.6081 -336835.0960 23294.7168 0.0000 0.0000 44632.7890 -222405.1600 162.3618 -267037.9490 -222051.2823 162.3618 -2684.6993 -2301.0430 921491.4634 -2684.6993 -2301.0430
ENERGY: 459 20903.4947 19784.9691 5724.0021 178.1984 -337468.1646 23318.6978 0.0000 0.0000 45113.9370 -222444.8654 164.1121 -267558.8024 -222053.1413 164.1121 -3350.5838 -2341.5799 921491.4634 -3350.5838 -2341.5799
TIMING: 460 CPU: 216.441, 0.457697/step Wall: 216.441, 0.457697/step, 0.00508552 hours remaining, 3224.054688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6141 19597.9065 5728.0971 179.4910 -338014.3771 23341.7996 0.0000 0.0000 45423.8570 -222480.6118 165.2395 -267904.4688 -222064.6838 165.2395 -3669.8207 -2365.2415 921491.4634 -3669.8207 -2365.2415
ENERGY: 461 21862.8764 19507.1077 5732.5752 180.4333 -338251.6219 23355.3929 0.0000 0.0000 45154.6143 -222458.6221 164.2601 -267613.2365 -222058.0509 164.2601 -3556.1670 -2361.1803 921491.4634 -3556.1670 -2361.1803
ENERGY: 462 22264.2255 19487.8111 5736.4822 180.9531 -337988.7172 23351.1079 0.0000 0.0000 44559.9297 -222408.2076 162.0968 -266968.1373 -222056.7216 162.0968 -2954.8202 -2323.4254 921491.4634 -2954.8202 -2323.4254
ENERGY: 463 21821.1789 19513.9018 5738.9361 181.1160 -337284.1029 23326.9470 0.0000 0.0000 44313.4576 -222388.5654 161.2002 -266702.0230 -222054.6244 161.2002 -2012.4425 -2264.0781 921491.4634 -2012.4425 -2264.0781
ENERGY: 464 20535.2458 19559.9276 5739.2518 181.0096 -336389.3838 23291.1934 0.0000 0.0000 44654.0271 -222428.7285 162.4391 -267082.7556 -222058.5729 162.4391 -1050.9227 -2205.5271 921491.4634 -1050.9227 -2205.5271
ENERGY: 465 19322.7826 19631.8858 5737.2898 180.7155 -335701.1531 23259.7383 0.0000 0.0000 45094.5691 -222474.1720 164.0416 -267568.7411 -222052.9388 164.0416 -512.3348 -2174.4011 921491.4634 -512.3348 -2174.4011
ENERGY: 466 19088.4511 19708.3585 5733.2107 180.2808 -335443.7722 23245.0595 0.0000 0.0000 45020.7910 -222467.6207 163.7733 -267488.4116 -222052.9786 163.7733 -630.3317 -2182.6713 921491.4634 -630.3317 -2182.6713
ENERGY: 467 19841.8071 19783.1746 5727.6704 179.7757 -335721.0947 23249.4521 0.0000 0.0000 44523.6667 -222415.5483 161.9649 -266939.2150 -222054.3495 161.9649 -1393.6034 -2232.5927 921491.4634 -1393.6034 -2232.5927
ENERGY: 468 20761.8483 19845.4945 5721.5089 179.2779 -336451.5663 23265.8116 0.0000 0.0000 44291.6587 -222385.9664 161.1209 -266677.6252 -222056.3592 161.1209 -2508.6720 -2314.1343 921491.4634 -2508.6720 -2314.1343
ENERGY: 469 21236.3018 19910.2022 5715.6824 178.8504 -337458.3199 23284.3952 0.0000 0.0000 44720.3205 -222412.5674 162.6802 -267132.8879 -222046.0752 162.6802 -3596.7412 -2405.7976 921491.4634 -3596.7412 -2405.7976
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 19972.8934 5710.9491 178.5947 -338383.2503 23297.0663 0.0000 0.0000 45346.4577 -222466.1158 164.9579 -267812.5735 -222047.6090 164.9579 -4259.7001 -2477.6834 921491.4634 -4259.7001 -2477.6834
ENERGY: 471 21732.8679 20054.6834 5707.9626 178.5890 -338913.2446 23297.5076 0.0000 0.0000 45471.3369 -222470.2972 165.4122 -267941.6341 -222047.5361 165.4122 -4290.5687 -2504.3178 921491.4634 -4290.5687 -2504.3178
ENERGY: 472 22081.2360 20161.5550 5707.0091 178.9047 -338870.6761 23279.4482 0.0000 0.0000 45028.5299 -222433.9932 163.8014 -267462.5231 -222059.5061 163.8014 -3659.7364 -2479.9188 921491.4634 -3659.7364 -2479.9188
ENERGY: 473 21866.1360 20289.3425 5707.9843 179.6165 -338307.7183 23240.7354 0.0000 0.0000 44634.5175 -222389.3862 162.3681 -267023.9037 -222043.8542 162.3681 -2556.3618 -2408.1661 921491.4634 -2556.3618 -2408.1661
ENERGY: 474 20842.9701 20372.0985 5710.2160 180.7466 -337438.4544 23189.2339 0.0000 0.0000 44733.2307 -222409.9584 162.7272 -267143.1892 -222041.2622 162.7272 -1295.5526 -2316.2732 921491.4634 -1295.5526 -2316.2732
ENERGY: 475 19674.2078 20371.7673 5712.9876 182.2512 -336604.2306 23142.3809 0.0000 0.0000 45070.2138 -222450.4219 163.9531 -267520.6357 -222039.4533 163.9531 -344.6451 -2232.2130 921491.4634 -344.6451 -2232.2130
ENERGY: 476 19235.7861 20282.0274 5715.7683 184.0125 -336100.0898 23115.8458 0.0000 0.0000 45106.0633 -222460.5864 164.0835 -267566.6497 -222053.6140 164.0835 -92.4052 -2183.0655 921491.4634 -92.4052 -2183.0655
ENERGY: 477 19704.7250 20145.9812 5718.4976 185.9230 -336101.8787 23114.2932 0.0000 0.0000 44812.3209 -222420.1377 163.0149 -267232.4586 -222044.8413 163.0149 -667.4950 -2171.8231 921491.4634 -667.4950 -2171.8231
ENERGY: 478 20493.4778 19974.7637 5721.0254 187.7262 -336537.4035 23131.2453 0.0000 0.0000 44627.0335 -222402.1317 162.3409 -267029.1651 -222047.4109 162.3409 -1807.1609 -2198.7959 921491.4634 -1807.1609 -2198.7959
ENERGY: 479 21125.3060 19793.3956 5723.3295 189.2098 -337215.5839 23156.6765 0.0000 0.0000 44802.1580 -222425.5085 162.9779 -267227.6665 -222050.5462 162.9779 -3089.8521 -2246.7921 921491.4634 -3089.8521 -2246.7921
TIMING: 480 CPU: 225.587, 0.457332/step Wall: 225.587, 0.457332/step, 0.00254073 hours remaining, 3224.054688 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 19623.1965 5725.3111 190.1900 -337854.6785 23181.5112 0.0000 0.0000 45051.6817 -222458.7552 163.8856 -267510.4368 -222064.6212 163.8856 -4077.7330 -2291.4895 921491.4634 -4077.7330 -2291.4895
ENERGY: 481 22092.4855 19510.0434 5727.0952 190.6351 -338199.2480 23196.7953 0.0000 0.0000 45041.3370 -222440.8565 163.8480 -267482.1935 -222052.5268 163.8480 -4466.2397 -2305.6735 921491.4634 -4466.2397 -2305.6735
ENERGY: 482 22186.3467 19466.6797 5728.4964 190.3598 -338044.5417 23192.7468 0.0000 0.0000 44865.8521 -222414.0603 163.2096 -267279.9124 -222051.4115 163.2096 -4059.3100 -2278.0618 921491.4634 -4059.3100 -2278.0618
ENERGY: 483 21553.1412 19511.5749 5729.5660 189.3226 -337426.2183 23165.8734 0.0000 0.0000 44861.8969 -222414.8432 163.1953 -267276.7401 -222048.7674 163.1953 -2964.1723 -2216.4119 921491.4634 -2964.1723 -2216.4119
ENERGY: 484 20460.8925 19631.1944 5730.2465 187.5455 -336590.8880 23126.1346 0.0000 0.0000 45003.6030 -222451.2717 163.7107 -267454.8747 -222059.8742 163.7107 -1565.2425 -2143.1852 921491.4634 -1565.2425 -2143.1852
ENERGY: 485 19688.7720 19800.2996 5730.5256 185.2458 -335902.5861 23092.8465 0.0000 0.0000 44955.5721 -222449.3246 163.5360 -267404.8967 -222045.9606 163.5360 -422.1570 -2086.8738 921491.4634 -422.1570 -2086.8738
ENERGY: 486 19602.5427 19954.8179 5729.7198 182.4662 -335612.3563 23080.3802 0.0000 0.0000 44645.9113 -222416.5181 162.4096 -267062.4295 -222044.6760 162.4096 87.3179 -2070.0984 921491.4634 87.3179 -2070.0984
ENERGY: 487 19881.0925 20072.0214 5727.4347 179.4360 -335846.4476 23091.0539 0.0000 0.0000 44503.3492 -222392.0599 161.8910 -266895.4091 -222045.2407 161.8910 -192.2348 -2106.8842 921491.4634 -192.2348 -2106.8842
ENERGY: 488 20125.2098 20156.1361 5723.5441 176.4338 -336552.5446 23118.8612 0.0000 0.0000 44827.0557 -222425.3040 163.0685 -267252.3597 -222057.1938 163.0685 -1145.7536 -2194.6681 921491.4634 -1145.7536 -2194.6681
ENERGY: 489 20526.8872 20236.4607 5718.5748 173.8639 -337540.4649 23156.7306 0.0000 0.0000 45266.1004 -222461.8472 164.6656 -267727.9477 -222045.6085 164.6656 -2511.2406 -2316.7067 921491.4634 -2511.2406 -2316.7067
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7491 20292.9019 5712.8912 171.8438 -338458.1354 23196.4873 0.0000 0.0000 45213.5628 -222459.6993 164.4745 -267673.2621 -222048.2207 164.4745 -3823.4040 -2437.4155 921491.4634 -3823.4040 -2437.4155
ENERGY: 491 22430.4642 20312.1357 5707.3795 170.5404 -338984.5786 23226.0933 0.0000 0.0000 44733.0087 -222404.9568 162.7264 -267137.9654 -222049.4637 162.7264 -4629.6935 -2524.6215 921491.4634 -4629.6935 -2524.6215
ENERGY: 492 22612.9548 20289.6808 5702.9944 170.0208 -338937.5809 23232.7202 0.0000 0.0000 44542.1948 -222387.0152 162.0323 -266929.2099 -222060.3861 162.0323 -4606.8525 -2557.4730 921491.4634 -4606.8525 -2557.4730
ENERGY: 493 21558.2188 20260.7372 5700.7779 170.3200 -338358.0625 23214.0533 0.0000 0.0000 45033.8226 -222420.1327 163.8207 -267453.9553 -222046.5902 163.8207 -3796.3819 -2540.0997 921491.4634 -3796.3819 -2540.0997
ENERGY: 494 20068.3365 20225.0259 5700.9805 171.2193 -337454.3826 23183.0792 0.0000 0.0000 45622.2471 -222483.4940 165.9612 -268105.7412 -222044.0869 165.9612 -2500.8992 -2482.1069 921491.4634 -2500.8992 -2482.1069
ENERGY: 495 19383.2462 20186.8299 5703.5926 172.5416 -336566.9878 23159.4622 0.0000 0.0000 45484.1227 -222477.1926 165.4587 -267961.3153 -222041.5564 165.4587 -1249.6837 -2407.3056 921491.4634 -1249.6837 -2407.3056
ENERGY: 496 19722.4833 20130.6471 5708.0350 174.0933 -335998.7146 23154.2633 0.0000 0.0000 44699.5267 -222409.6659 162.6046 -267109.1927 -222049.0670 162.6046 -478.8997 -2343.4750 921491.4634 -478.8997 -2343.4750
ENERGY: 497 20212.6667 20059.9174 5713.4612 175.7242 -335952.5035 23166.3543 0.0000 0.0000 44261.0286 -222363.3510 161.0095 -266624.3796 -222042.7500 161.0095 -421.0232 -2316.7927 921491.4634 -421.0232 -2316.7927
ENERGY: 498 20182.0164 19957.1214 5718.5596 177.2604 -336366.4928 23189.3583 0.0000 0.0000 44728.2533 -222413.9233 162.7091 -267142.1767 -222044.5220 162.7091 -993.4679 -2331.6472 921491.4634 -993.4679 -2331.6472
ENERGY: 499 20158.0679 19847.7308 5722.4089 178.6361 -337058.4821 23219.2403 0.0000 0.0000 45439.2643 -222493.1339 165.2956 -267932.3982 -222047.2062 165.2956 -2020.8687 -2376.3390 921491.4634 -2020.8687 -2376.3390
Info: Benchmark time: 4 CPUs 0.457166 s/step 5.29127 days/ns 3224.05 MB memory
TIMING: 500 CPU: 234.665, 0.453905/step Wall: 234.665, 0.453905/step, 0 hours remaining, 3224.054688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8938 19756.6585 5724.4523 179.8271 -337741.4191 23251.1008 0.0000 0.0000 45359.0775 -222495.4091 165.0039 -267854.4867 -222061.0909 165.0039 -3197.5168 -2425.4142 921491.4634 -3197.5168 -2425.4142
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, 3229.504 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.504 MB of memory in use
====================================================
WallClock: 241.512466 CPUTime: 241.512466 Memory: 3229.503906 MB
[Partition 0][Node 0] End of program
Application 1110763 resources: utime ~949s, stime ~19s, Rss ~126968, inblocks ~66552, outblocks ~71878
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.512466
CPU=241.512466
MEM=3229.503906
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 17 02:50 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 17 02:50 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 17 02:50 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 17 02:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189489 Dec 17 02:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 17 02:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 17 02:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 17 02:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 17 02:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 17 02:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 17 02:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 17 02:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 17 02:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 17 02:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 17 02:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 17 02:21 retest
drwxr-xr-x 12 bwjenkins BW_System 4096 Sep 8 2010 tcl8.5.9
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins3867175280109826002.sh
+ rm -rf /var/lib/jenkins/jobs/NAMD/workspace/cputime /var/lib/jenkins/jobs/NAMD/workspace/memory /var/lib/jenkins/jobs/NAMD/workspace/namd /var/lib/jenkins/jobs/NAMD/workspace/wallclock
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD/workspace
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD/workspace
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/memory
Finished: SUCCESS
![[Jenkins]](/static/755cd4af/images/svgs/logo.svg){kind=logo}
