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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 ============== 54.4814
LDB: Largest compute 200 load 0.430266 is 1.2% of average load 36.779175
LDB: Average compute 0.051525 is 0.1% of average load 36.779175
LDB: Partitioning computes with target load 3.677918
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055430
LDB: ============== END OF LOAD BALANCING =============== 54.4834
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.4843
Info: Initial time: 4 CPUs 0.473748 s/step 5.48319 days/ns 3221.56 MB memory
TIMING: 100 CPU: 48.345, 0.472805/step Wall: 48.345, 0.472805/step, 0.0525339 hours remaining, 3221.558594 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 ============== 63.9209
LDB: ============== END OF LOAD BALANCING =============== 63.921
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9215
TIMING: 120 CPU: 57.7805, 0.471775/step Wall: 57.7805, 0.471775/step, 0.0497984 hours remaining, 3221.695312 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: 138 21874.8525 19195.4801 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9639 -222340.8740 155.6399 -265125.8379 -222213.1816 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.2114, 0.471548/step Wall: 67.2114, 0.471548/step, 0.0471548 hours remaining, 3222.046875 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: 76.6301, 0.470933/step Wall: 76.6301, 0.470933/step, 0.044477 hours remaining, 3222.218750 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 18733.9558 5737.6245 154.5770 -332975.2973 21015.2132 0.0000 0.0000 43101.1544 -222314.9825 156.7902 -265416.1369 -222126.1322 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 86.0365, 0.470319/step Wall: 86.0365, 0.470319/step, 0.0418062 hours remaining, 3222.218750 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 19266.0406 19234.9572 5686.4352 181.9571 -332240.0939 21043.7458 0.0000 0.0000 44391.5886 -222435.3693 161.4844 -266826.9579 -222129.2889 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2967 19471.4305 5678.7398 184.6336 -333156.1129 21076.9264 0.0000 0.0000 42449.0055 -222222.0803 154.4178 -264671.0858 -222130.9081 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 198 21224.0060 18800.3004 5711.3574 186.3640 -333385.4994 21161.1532 0.0000 0.0000 43911.2862 -222391.0322 159.7372 -266302.3184 -222090.4393 159.7372 -4381.6809 -2646.7680 921491.4634 -4381.6809 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.587
LDB: Largest compute 200 load 0.425461 is 1.2% of average load 36.596771
LDB: Average compute 0.051263 is 0.1% of average load 36.596771
LDB: TIME 101.589 LOAD: AVG 36.5968 MAX 37.6652 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.6 MB
LDB: TIME 101.591 LOAD: AVG 36.5968 MAX 37.5346 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.6 MB
LDB: ============== END OF LOAD BALANCING =============== 101.593
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.596
Info: Initial time: 4 CPUs 0.470964 s/step 5.45097 days/ns 3223.26 MB memory
TIMING: 200 CPU: 95.4512, 0.470735/step Wall: 95.4512, 0.470735/step, 0.0392279 hours remaining, 3223.257812 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 21215.8253 0.0000 0.0000 44059.6986 -222431.1636 160.2771 -266490.8622 -222093.6429 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6124 19486.9557 5734.1463 191.2124 -332722.2202 21188.8401 0.0000 0.0000 45629.4719 -222628.9814 165.9875 -268258.4533 -222116.7006 165.9875 452.9932 -2462.2930 921491.4634 452.9932 -2462.2930
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ENERGY: 207 21693.8032 20338.2893 5726.5434 185.3060 -333603.9795 21289.9000 0.0000 0.0000 42143.6912 -222226.4464 153.3072 -264370.1376 -222103.0937 153.3072 -1896.3479 -2585.9684 921491.4634 -1896.3479 -2585.9684
ENERGY: 208 20293.2703 20371.8905 5718.1572 182.8654 -334789.2377 21322.2409 0.0000 0.0000 44428.6269 -222472.1866 161.6191 -266900.8135 -222122.6315 161.6191 -3669.0642 -2719.7952 921491.4634 -3669.0642 -2719.7952
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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 21385.1734 20194.2570 5705.3139 178.4614 -336615.7767 21385.1095 0.0000 0.0000 45251.4333 -222516.0282 164.6123 -267767.4615 -222108.2016 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -2896.2627
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ENERGY: 212 23739.2709 19730.8222 5710.0295 176.0352 -336013.6224 21412.5982 0.0000 0.0000 42995.1637 -222249.7027 156.4046 -265244.8664 -222104.2319 156.4046 -4424.1001 -2820.3210 921491.4634 -4424.1001 -2820.3210
ENERGY: 213 20150.2160 19524.5248 5720.1722 175.9508 -334874.6440 21380.5551 0.0000 0.0000 45418.7805 -222504.4448 165.2210 -267923.2252 -222097.3835 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5529 19421.7447 5733.3059 176.6827 -333645.3933 21358.4485 0.0000 0.0000 46958.4701 -222681.1886 170.8220 -269639.6587 -222093.7408 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5055 19441.9742 5746.5772 178.1492 -332787.3319 21379.5596 0.0000 0.0000 45302.6744 -222527.8917 164.7987 -267830.5661 -222091.0448 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4717 19522.5060 5756.9571 180.1770 -332560.1059 21436.4835 0.0000 0.0000 42442.1786 -222248.3320 154.3930 -264690.5106 -222073.6158 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3867 19581.4818 5762.2416 182.5517 -333010.6756 21497.2705 0.0000 0.0000 41983.6749 -222225.0684 152.7251 -264208.7433 -222064.4466 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9157 19540.0889 5761.2415 184.9927 -333856.1146 21546.6560 0.0000 0.0000 44178.6835 -222478.5362 160.7099 -266657.2197 -222068.8157 160.7099 -2628.0653 -2703.9746 921491.4634 -2628.0653 -2703.9746
ENERGY: 219 19429.8640 19413.3930 5754.3577 187.2447 -334778.0708 21596.8808 0.0000 0.0000 45751.9296 -222644.4009 166.4329 -268396.3305 -222073.1722 166.4329 -4457.7332 -2810.5237 921491.4634 -4457.7332 -2810.5237
TIMING: 220 CPU: 104.876, 0.471249/step Wall: 104.876, 0.471249/step, 0.0366527 hours remaining, 3223.257812 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: 114.292, 0.470817/step Wall: 114.292, 0.470817/step, 0.0340035 hours remaining, 3223.257812 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 240 22861.0421 20119.9134 5760.6910 171.4213 -335766.3625 21854.4253 0.0000 0.0000 42641.4774 -222357.3921 155.1180 -264998.8695 -222074.0954 155.1180 -3844.9085 -2568.3896 921491.4634 -3844.9085 -2568.3896
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ENERGY: 242 22110.7716 20111.8209 5758.5348 169.0441 -335904.8197 21831.0568 0.0000 0.0000 43526.8719 -222396.7197 158.3388 -265923.5915 -222063.5737 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3620 19969.6446 5749.3614 168.8705 -335233.7069 21770.4748 0.0000 0.0000 45537.0689 -222575.9247 165.6513 -268112.9936 -222061.6675 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
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ENERGY: 246 20878.5481 19853.7026 5716.8932 174.1558 -334213.1208 21705.0851 0.0000 0.0000 43600.4180 -222284.3180 158.6063 -265884.7360 -222067.4297 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5287 19979.6441 5712.7400 177.5412 -334802.1844 21719.8455 0.0000 0.0000 44912.1911 -222431.6938 163.3782 -267343.8849 -222068.1395 163.3782 -983.0000 -2552.5931 921491.4634 -983.0000 -2552.5931
ENERGY: 248 19035.4925 20164.4297 5713.8450 181.3144 -335623.1355 21746.4311 0.0000 0.0000 46185.9361 -222595.6867 168.0117 -268781.6228 -222090.3129 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 21994.9041 20013.1597 5733.2541 193.8023 -336093.2674 21826.9296 0.0000 0.0000 43905.3719 -222425.8458 159.7157 -266331.2177 -222091.3307 159.7157 -3843.4681 -2758.0339 921491.4634 -3843.4681 -2758.0339
ENERGY: 253 19499.8637 19667.1120 5729.5496 195.2411 -334977.1805 21784.0537 0.0000 0.0000 45520.0190 -222581.3414 165.5893 -268101.3604 -222082.7207 165.5893 -3300.1273 -2735.8132 921491.4634 -3300.1273 -2735.8132
ENERGY: 254 19073.0882 19348.2294 5720.5008 195.9622 -333839.8796 21752.6524 0.0000 0.0000 45220.9193 -222528.5273 164.5013 -267749.4467 -222080.4688 164.5013 -2707.1338 -2696.1701 921491.4634 -2707.1338 -2696.1701
ENERGY: 255 20324.2312 19109.4100 5707.6062 196.0621 -333099.9232 21746.1515 0.0000 0.0000 43667.4210 -222349.0412 158.8501 -266016.4622 -222078.3977 158.8501 -2282.5426 -2662.7814 921491.4634 -2282.5426 -2662.7814
ENERGY: 256 20899.4410 18950.9577 5693.4518 195.6570 -332975.5972 21757.6848 0.0000 0.0000 43181.1610 -222297.2439 157.0812 -265478.4050 -222071.2741 157.0812 -2042.2410 -2664.5199 921491.4634 -2042.2410 -2664.5199
ENERGY: 257 20029.5653 18878.1873 5681.1759 194.7976 -333481.0039 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
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TIMING: 260 CPU: 123.701, 0.470443/step Wall: 123.701, 0.470443/step, 0.0313629 hours remaining, 3223.687500 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 19781.1229 20140.5623 5703.8103 187.9445 -335614.9715 21924.4740 0.0000 0.0000 45349.7771 -222527.2806 164.9700 -267877.0576 -222051.1549 164.9700 -2647.8116 -2773.3903 921491.4634 -2647.8116 -2773.3903
ENERGY: 264 19385.2261 20436.4307 5710.6950 187.5052 -334855.9515 21907.7772 0.0000 0.0000 44751.4783 -222476.8391 162.7936 -267228.3174 -222069.1985 162.7936 -2191.1928 -2723.5294 921491.4634 -2191.1928 -2723.5294
ENERGY: 265 19946.8416 20681.9927 5713.6241 187.4392 -334395.6636 21906.0163 0.0000 0.0000 43607.6374 -222352.1123 158.6326 -265959.7497 -222054.3374 158.6326 -2038.0574 -2683.6035 921491.4634 -2038.0574 -2683.6035
ENERGY: 266 20048.7900 20788.8701 5712.1327 187.6137 -334399.4580 21914.4804 0.0000 0.0000 43399.3797 -222348.1914 157.8750 -265747.5711 -222054.3637 157.8750 -2130.7242 -2664.5956 921491.4634 -2130.7242 -2664.5956
ENERGY: 267 19648.0906 20691.2678 5707.0583 187.8501 -334831.4858 21930.8373 0.0000 0.0000 44220.2168 -222446.1648 160.8610 -266666.3816 -222055.6587 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9160 20375.7515 5700.1930 187.9286 -335513.7450 21959.1256 0.0000 0.0000 44823.5377 -222504.2925 163.0557 -267327.8303 -222075.9876 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
ENERGY: 269 21396.7812 19927.1701 5694.0390 187.7640 -336221.0661 21997.2160 0.0000 0.0000 44586.5099 -222431.5859 162.1935 -267018.0959 -222066.1974 162.1935 -3401.4128 -2647.2950 921491.4634 -3401.4128 -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 22620.1932 19450.9166 5690.3173 187.1618 -336650.6774 22028.8070 0.0000 0.0000 44308.0076 -222365.2739 161.1804 -266673.2815 -222067.0435 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
ENERGY: 271 22345.5822 19078.8063 5690.0209 186.1610 -336571.7891 22035.2500 0.0000 0.0000 44829.4473 -222406.5213 163.0772 -267235.9686 -222066.8387 163.0772 -3261.2173 -2569.2622 921491.4634 -3261.2173 -2569.2622
ENERGY: 272 21021.5584 18896.0660 5692.8269 184.9335 -335921.4615 22015.0579 0.0000 0.0000 45607.7076 -222503.3113 165.9083 -268111.0189 -222081.1574 165.9083 -2551.9684 -2501.8804 921491.4634 -2551.9684 -2501.8804
ENERGY: 273 20123.2136 18932.9079 5697.5118 183.8526 -334925.7013 21985.5296 0.0000 0.0000 45502.7160 -222499.9698 165.5264 -268002.6859 -222069.0462 165.5264 -1837.1976 -2434.6760 921491.4634 -1837.1976 -2434.6760
ENERGY: 274 20074.7417 19121.4861 5701.6806 183.0070 -333931.6259 21965.2976 0.0000 0.0000 44478.5175 -222406.8955 161.8006 -266885.4130 -222066.8031 161.8006 -1366.5214 -2384.6634 921491.4634 -1366.5214 -2384.6634
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ENERGY: 276 19401.8503 19594.7507 5701.2547 182.4904 -333292.1282 21971.0410 0.0000 0.0000 44028.5271 -222412.2141 160.1637 -266440.7412 -222072.9396 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2972 19724.7159 5695.5210 182.9396 -333864.3454 21997.2387 0.0000 0.0000 44632.8110 -222481.8219 162.3619 -267114.6329 -222061.0989 162.3619 -2311.7544 -2498.0544 921491.4634 -2311.7544 -2498.0544
ENERGY: 278 20199.4576 19713.7759 5686.9122 183.6585 -334821.1003 22041.3359 0.0000 0.0000 44532.2539 -222463.7062 161.9961 -266995.9602 -222063.4132 161.9961 -3254.8155 -2593.7696 921491.4634 -3254.8155 -2593.7696
ENERGY: 279 21984.3648 19593.9431 5677.5176 184.5187 -335888.5800 22096.4199 0.0000 0.0000 43975.0879 -222376.7280 159.9693 -266351.8160 -222065.2025 159.9693 -4044.3211 -2682.8389 921491.4634 -4044.3211 -2682.8389
TIMING: 280 CPU: 133.095, 0.469694/step Wall: 133.095, 0.469694/step, 0.0287035 hours remaining, 3223.687500 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 -336752.6632 22145.1354 0.0000 0.0000 44066.7337 -222367.6420 160.3027 -266434.3757 -222073.4248 160.3027 -4286.3892 -2748.0546 921491.4634 -4286.3892 -2748.0546
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ENERGY: 282 20943.7899 19615.5379 5669.9796 186.8360 -336942.5035 22176.7655 0.0000 0.0000 45823.3368 -222526.2579 166.6927 -268349.5947 -222063.3317 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
ENERGY: 283 20432.1061 19966.6615 5678.8137 187.1634 -336251.9202 22171.0649 0.0000 0.0000 45328.8518 -222487.2588 164.8939 -267816.1107 -222060.8461 164.8939 -2008.7737 -2748.2306 921491.4634 -2008.7737 -2748.2306
ENERGY: 284 20506.3999 20401.8822 5692.0830 187.1346 -335412.6301 22166.2910 0.0000 0.0000 44071.4478 -222387.3915 160.3198 -266458.8394 -222061.5541 160.3198 -1267.2792 -2712.3902 921491.4634 -1267.2792 -2712.3902
ENERGY: 285 20203.3288 20789.9629 5707.3565 186.7145 -334827.1967 22167.0167 0.0000 0.0000 43418.2628 -222354.5546 157.9437 -265772.8174 -222053.5967 157.9437 -1010.8439 -2700.0820 921491.4634 -1010.8439 -2700.0820
ENERGY: 286 19396.6310 20966.5622 5721.5031 185.8230 -334658.1148 22176.6864 0.0000 0.0000 43785.6879 -222425.2213 159.2803 -266210.9091 -222054.0583 159.2803 -1306.7503 -2717.2847 921491.4634 -1306.7503 -2717.2847
ENERGY: 287 19176.1191 20856.7822 5731.9346 184.4714 -334918.1479 22200.2911 0.0000 0.0000 44282.9435 -222485.6060 161.0892 -266768.5494 -222055.7254 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2087 20475.2850 5736.9557 182.7335 -335468.3147 22237.9039 0.0000 0.0000 44116.9902 -222455.2377 160.4855 -266572.2279 -222066.9054 160.4855 -3310.5878 -2790.1553 921491.4634 -3310.5878 -2790.1553
ENERGY: 289 21886.4833 19928.6977 5736.1905 180.7560 -336126.9120 22279.0691 0.0000 0.0000 43733.4511 -222382.2642 159.0903 -266115.7153 -222062.2725 159.0903 -4368.9813 -2809.8749 921491.4634 -4368.9813 -2809.8749
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.644
LDB: Largest compute 200 load 0.522593 is 1.1% of average load 45.707728
LDB: Average compute 0.064030 is 0.1% of average load 45.707728
LDB: TIME 148.646 LOAD: AVG 45.7077 MAX 47.048 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.14 MB
LDB: TIME 148.646 LOAD: AVG 45.7077 MAX 47.048 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.14 MB
LDB: TIME 148.65 LOAD: AVG 45.7077 MAX 46.1966 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.14 MB
LDB: ============== END OF LOAD BALANCING =============== 148.651
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.652
Info: Initial time: 4 CPUs 0.470176 s/step 5.44186 days/ns 3224.14 MB memory
TIMING: 300 CPU: 142.477, 0.469104/step Wall: 142.477, 0.469104/step, 0.0260613 hours remaining, 3224.144531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 320 CPU: 151.679, 0.460082/step Wall: 151.679, 0.460082/step, 0.0230041 hours remaining, 3224.144531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 340 CPU: 160.876, 0.459842/step Wall: 160.876, 0.459842/step, 0.0204374 hours remaining, 3224.144531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 360 CPU: 170.069, 0.459682/step Wall: 170.069, 0.459682/step, 0.0178765 hours remaining, 3224.144531 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 20473.8100 20495.6595 5711.4639 183.2952 -336584.2277 22821.5832 0.0000 0.0000 44474.7537 -222423.6622 161.7869 -266898.4160 -222044.3969 161.7869 -2972.9873 -2523.3500 921491.4634 -2972.9873 -2523.3500
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TIMING: 380 CPU: 179.256, 0.459309/step Wall: 179.256, 0.459309/step, 0.0153103 hours remaining, 3224.144531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 386 19981.2274 19220.9464 5707.6637 175.9385 -334865.1818 22880.7952 0.0000 0.0000 44519.8588 -222378.7518 161.9510 -266898.6106 -222051.0440 161.9510 122.6667 -2011.2430 921491.4634 122.6667 -2011.2430
ENERGY: 387 20367.2861 19202.4844 5710.9354 174.6759 -335109.8726 22905.2738 0.0000 0.0000 44377.1817 -222372.0352 161.4320 -266749.2169 -222053.0053 161.4320 -738.9586 -2019.1691 921491.4634 -738.9586 -2019.1691
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 194.619
LDB: Largest compute 230 load 0.531054 is 1.2% of average load 45.683415
LDB: Average compute 0.063966 is 0.1% of average load 45.683415
LDB: TIME 194.621 LOAD: AVG 45.6834 MAX 45.9672 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.14 MB
LDB: TIME 194.622 LOAD: AVG 45.6834 MAX 45.9672 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.14 MB
LDB: TIME 194.622 LOAD: AVG 45.6834 MAX 45.9672 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.14 MB
LDB: ============== END OF LOAD BALANCING =============== 194.622
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.623
Info: Benchmark time: 4 CPUs 0.459612 s/step 5.31959 days/ns 3224.14 MB memory
TIMING: 400 CPU: 188.443, 0.459346/step Wall: 188.443, 0.459346/step, 0.0127596 hours remaining, 3224.144531 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 20661.9896 5710.0857 195.6953 -336157.5864 23063.1718 0.0000 0.0000 44200.2847 -222384.0424 160.7885 -266584.3271 -222052.9647 160.7885 -282.7612 -2224.6896 921491.4634 -282.7612 -2224.6896
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ENERGY: 418 20154.6649 20457.0910 5705.5848 188.6536 -336970.7872 23098.6729 0.0000 0.0000 44915.1420 -222450.9781 163.3889 -267366.1201 -222046.7096 163.3889 -671.8544 -2269.9921 921491.4634 -671.8544 -2269.9921
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TIMING: 420 CPU: 197.601, 0.457937/step Wall: 197.601, 0.457937/step, 0.0101764 hours remaining, 3224.144531 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: 426 19603.3347 19432.3071 5702.4947 169.0990 -335270.6887 23080.2893 0.0000 0.0000 44862.7392 -222420.4247 163.1983 -267283.1639 -222049.1090 163.1983 -1125.8049 -2237.7214 921491.4634 -1125.8049 -2237.7214
ENERGY: 427 19598.5317 19595.2899 5707.1504 168.7509 -335498.4330 23074.5008 0.0000 0.0000 44915.2782 -222438.9310 163.3894 -267354.2092 -222048.7338 163.3894 -741.9007 -2207.6354 921491.4634 -741.9007 -2207.6354
ENERGY: 428 20140.4230 19760.4171 5710.4629 168.5259 -336199.9865 23087.7678 0.0000 0.0000 44884.2600 -222448.1299 163.2766 -267332.3899 -222058.0552 163.2766 -935.5731 -2206.9584 921491.4634 -935.5731 -2206.9584
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9872 20024.3737 5712.1700 168.1897 -338096.9216 23149.4494 0.0000 0.0000 44626.3106 -222402.4409 162.3383 -267028.7516 -222047.3918 162.3383 -2472.2456 -2268.0465 921491.4634 -2472.2456 -2268.0465
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ENERGY: 432 21768.3707 20188.6723 5710.3547 168.1086 -338651.2113 23176.0846 0.0000 0.0000 45177.9914 -222461.6290 164.3451 -267639.6204 -222065.9063 164.3451 -3350.2743 -2296.1497 921491.4634 -3350.2743 -2296.1497
ENERGY: 433 21200.9076 20275.9662 5710.3763 168.4633 -338164.0648 23162.2911 0.0000 0.0000 45192.9287 -222453.1315 164.3995 -267646.0602 -222052.5987 164.3995 -3187.3734 -2272.1276 921491.4634 -3187.3734 -2272.1276
ENERGY: 434 20730.3414 20338.1498 5711.6061 169.3247 -337394.2713 23140.7736 0.0000 0.0000 44883.1001 -222420.9756 163.2724 -267304.0757 -222051.1467 163.2724 -2694.3109 -2227.7885 921491.4634 -2694.3109 -2227.7885
ENERGY: 435 20235.2200 20362.4014 5714.0003 170.8455 -336680.6563 23123.4099 0.0000 0.0000 44675.9843 -222398.7949 162.5190 -267074.7792 -222049.5893 162.5190 -2061.3582 -2179.8951 921491.4634 -2061.3582 -2179.8951
ENERGY: 436 19670.9242 20349.9980 5717.2345 173.0864 -336303.8819 23119.9079 0.0000 0.0000 44847.0987 -222425.6321 163.1414 -267272.7308 -222059.6963 163.1414 -1520.6597 -2145.1616 921491.4634 -1520.6597 -2145.1616
ENERGY: 437 19434.5516 20329.5091 5720.9894 175.9827 -336411.9791 23136.3870 0.0000 0.0000 45159.2689 -222455.2905 164.2770 -267614.5593 -222050.7507 164.2770 -1319.1167 -2134.4848 921491.4634 -1319.1167 -2134.4848
ENERGY: 438 19935.1532 20278.6094 5724.6884 179.3848 -336899.4582 23173.5521 0.0000 0.0000 45148.1325 -222459.9377 164.2365 -267608.0702 -222051.5672 164.2365 -1493.0940 -2145.0880 921491.4634 -1493.0940 -2145.0880
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TIMING: 440 CPU: 206.756, 0.457726/step Wall: 206.756, 0.457726/step, 0.00762877 hours remaining, 3224.144531 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 22071.5682 20036.2371 5729.7527 186.7201 -338123.1813 23276.2488 0.0000 0.0000 44417.5461 -222405.1083 161.5788 -266822.6544 -222059.4777 161.5788 -2408.4612 -2197.9671 921491.4634 -2408.4612 -2197.9671
ENERGY: 441 22355.5486 19860.0409 5730.3488 190.1145 -338361.1722 23313.2047 0.0000 0.0000 44502.6964 -222409.2182 161.8886 -266911.9147 -222050.0863 161.8886 -2716.1028 -2221.5314 921491.4634 -2716.1028 -2221.5314
ENERGY: 442 21853.6120 19664.5349 5729.4854 192.9411 -338090.1540 23327.1571 0.0000 0.0000 44880.6318 -222441.7917 163.2634 -267322.4234 -222049.7759 163.2634 -2710.5577 -2229.0696 921491.4634 -2710.5577 -2229.0696
ENERGY: 443 21064.3318 19487.0724 5727.6164 194.9329 -337369.3157 23320.0161 0.0000 0.0000 45118.1103 -222457.2357 164.1273 -267575.3461 -222048.5999 164.1273 -2448.1650 -2220.3531 921491.4634 -2448.1650 -2220.3531
ENERGY: 444 20449.3363 19357.2691 5725.4095 195.8734 -336464.1929 23301.5279 0.0000 0.0000 44987.7173 -222447.0593 163.6530 -267434.7766 -222057.9802 163.6530 -2090.2101 -2206.4399 921491.4634 -2090.2101 -2206.4399
ENERGY: 445 20125.5607 19307.2519 5723.6513 195.6942 -335759.3920 23283.8142 0.0000 0.0000 44708.7150 -222414.7046 162.6380 -267123.4196 -222046.5433 162.6380 -1846.9627 -2201.6925 921491.4634 -1846.9627 -2201.6925
ENERGY: 446 19947.6804 19324.9007 5722.5430 194.3235 -335494.5712 23276.0455 0.0000 0.0000 44620.2938 -222408.7843 162.3164 -267029.0782 -222046.1625 162.3164 -1800.7518 -2216.7293 921491.4634 -1800.7518 -2216.7293
ENERGY: 447 19914.2849 19416.0211 5722.2107 191.8641 -335769.4402 23282.7462 0.0000 0.0000 44816.5079 -222425.8054 163.0301 -267242.3133 -222046.8347 163.0301 -1993.3111 -2253.0602 921491.4634 -1993.3111 -2253.0602
ENERGY: 448 20187.5921 19583.6800 5722.5765 188.5554 -336503.1797 23303.8908 0.0000 0.0000 45065.6665 -222451.2185 163.9365 -267516.8850 -222059.3481 163.9365 -2372.1874 -2303.7895 921491.4634 -2372.1874 -2303.7895
ENERGY: 449 20877.4058 19832.6985 5723.5713 184.8596 -337500.9067 23334.5927 0.0000 0.0000 45101.1669 -222446.6119 164.0656 -267547.7788 -222047.7099 164.0656 -2827.1077 -2356.1404 921491.4634 -2827.1077 -2356.1404
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 20108.1299 5724.4776 181.0897 -338419.3243 23364.6246 0.0000 0.0000 44854.3087 -222432.2086 163.1676 -267286.5173 -222048.7860 163.1676 -3116.6752 -2394.3893 921491.4634 -3116.6752 -2394.3893
ENERGY: 451 22355.5902 20357.7254 5724.7144 177.6517 -338952.0902 23381.8010 0.0000 0.0000 44542.6975 -222411.9100 162.0341 -266954.6075 -222048.8246 162.0341 -3074.2530 -2405.7795 921491.4634 -3074.2530 -2405.7795
ENERGY: 452 22246.2016 20536.0133 5723.8953 174.8859 -338927.1534 23378.0947 0.0000 0.0000 44452.9183 -222415.1443 161.7075 -266868.0626 -222059.6374 161.7075 -2659.9605 -2384.7567 921491.4634 -2659.9605 -2384.7567
ENERGY: 453 21399.8726 20641.1311 5722.2879 173.1350 -338392.7930 23354.5910 0.0000 0.0000 44683.7021 -222418.0734 162.5470 -267101.7755 -222043.5375 162.5470 -2048.3339 -2342.4667 921491.4634 -2048.3339 -2342.4667
ENERGY: 454 20248.3379 20654.1374 5720.2217 172.3637 -337567.1411 23320.6904 0.0000 0.0000 45008.1455 -222443.2445 163.7273 -267451.3900 -222041.8395 163.7273 -1453.4579 -2293.1450 921491.4634 -1453.4579 -2293.1450
ENERGY: 455 19486.7904 20584.7121 5718.4844 172.5169 -336790.6450 23290.4026 0.0000 0.0000 45086.5780 -222451.1607 164.0126 -267537.7386 -222040.8573 164.0126 -1151.8825 -2255.8571 921491.4634 -1151.8825 -2255.8571
ENERGY: 456 19493.3721 20440.6800 5717.7556 173.4248 -336350.1071 23274.9633 0.0000 0.0000 44811.4717 -222438.4395 163.0118 -267249.9112 -222055.3486 163.0118 -1305.5002 -2245.5821 921491.4634 -1305.5002 -2245.5821
ENERGY: 457 20047.4930 20251.9434 5718.5580 174.9241 -336395.8161 23277.8276 0.0000 0.0000 44521.8698 -222403.2002 161.9583 -266925.0700 -222049.4132 161.9583 -1906.4163 -2263.5011 921491.4634 -1906.4163 -2263.5011
ENERGY: 458 20585.8435 20019.2722 5720.7061 176.6081 -336835.0957 23294.7174 0.0000 0.0000 44632.7885 -222405.1599 162.3618 -267037.9484 -222051.2822 162.3618 -2684.6985 -2301.0425 921491.4634 -2684.6985 -2301.0425
ENERGY: 459 20903.4945 19784.9689 5724.0021 178.1985 -337468.1643 23318.6983 0.0000 0.0000 45113.9368 -222444.8652 164.1121 -267558.8021 -222053.1411 164.1121 -3350.5830 -2341.5795 921491.4634 -3350.5830 -2341.5795
TIMING: 460 CPU: 215.912, 0.457802/step Wall: 215.912, 0.457802/step, 0.00508669 hours remaining, 3224.144531 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 21262.6138 19597.9063 5728.0972 179.4910 -338014.3768 23341.8001 0.0000 0.0000 45423.8569 -222480.6116 165.2395 -267904.4685 -222064.6835 165.2395 -3669.8202 -2365.2413 921491.4634 -3669.8202 -2365.2413
ENERGY: 461 21862.8764 19507.1075 5732.5753 180.4333 -338251.6218 23355.3934 0.0000 0.0000 45154.6142 -222458.6218 164.2601 -267613.2360 -222058.0506 164.2601 -3556.1668 -2361.1800 921491.4634 -3556.1668 -2361.1800
ENERGY: 462 22264.2258 19487.8110 5736.4823 180.9531 -337988.7173 23351.1084 0.0000 0.0000 44559.9295 -222408.2073 162.0968 -266968.1368 -222056.7213 162.0968 -2954.8202 -2323.4252 921491.4634 -2954.8202 -2323.4252
ENERGY: 463 21821.1793 19513.9017 5738.9361 181.1160 -337284.1033 23326.9474 0.0000 0.0000 44313.4576 -222388.5651 161.2002 -266702.0227 -222054.6241 161.2002 -2012.4427 -2264.0779 921491.4634 -2012.4427 -2264.0779
ENERGY: 464 20535.2461 19559.9274 5739.2518 181.0096 -336389.3846 23291.1938 0.0000 0.0000 44654.0274 -222428.7285 162.4391 -267082.7559 -222058.5729 162.4391 -1050.9229 -2205.5270 921491.4634 -1050.9229 -2205.5270
ENERGY: 465 19322.7828 19631.8857 5737.2899 180.7155 -335701.1540 23259.7386 0.0000 0.0000 45094.5696 -222474.1719 164.0417 -267568.7416 -222052.9387 164.0417 -512.3348 -2174.4010 921491.4634 -512.3348 -2174.4010
ENERGY: 466 19088.4512 19708.3583 5733.2107 180.2808 -335443.7732 23245.0598 0.0000 0.0000 45020.7916 -222467.6206 163.7733 -267488.4122 -222052.9785 163.7733 -630.3316 -2182.6712 921491.4634 -630.3316 -2182.6712
ENERGY: 467 19841.8073 19783.1744 5727.6704 179.7757 -335721.0957 23249.4523 0.0000 0.0000 44523.6674 -222415.5482 161.9649 -266939.2156 -222054.3494 161.9649 -1393.6031 -2232.5926 921491.4634 -1393.6031 -2232.5926
ENERGY: 468 20761.8484 19845.4944 5721.5090 179.2779 -336451.5676 23265.8118 0.0000 0.0000 44291.6595 -222385.9667 161.1209 -266677.6262 -222056.3594 161.1209 -2508.6717 -2314.1344 921491.4634 -2508.6717 -2314.1344
ENERGY: 469 21236.3017 19910.2023 5715.6824 178.8504 -337458.3211 23284.3953 0.0000 0.0000 44720.3213 -222412.5676 162.6802 -267132.8890 -222046.0754 162.6802 -3596.7410 -2405.7977 921491.4634 -3596.7410 -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 21411.1732 19972.8936 5710.9491 178.5947 -338383.2516 23297.0664 0.0000 0.0000 45346.4585 -222466.1160 164.9580 -267812.5745 -222047.6092 164.9580 -4259.7000 -2477.6836 921491.4634 -4259.7000 -2477.6836
ENERGY: 471 21732.8681 20054.6837 5707.9626 178.5890 -338913.2459 23297.5076 0.0000 0.0000 45471.3375 -222470.2974 165.4122 -267941.6349 -222047.5363 165.4122 -4290.5689 -2504.3180 921491.4634 -4290.5689 -2504.3180
ENERGY: 472 22081.2364 20161.5553 5707.0091 178.9047 -338870.6772 23279.4482 0.0000 0.0000 45028.5304 -222433.9931 163.8014 -267462.5235 -222059.5060 163.8014 -3659.7366 -2479.9188 921491.4634 -3659.7366 -2479.9188
ENERGY: 473 21866.1364 20289.3427 5707.9843 179.6165 -338307.7194 23240.7354 0.0000 0.0000 44634.5181 -222389.3861 162.3681 -267023.9041 -222043.8541 162.3681 -2556.3622 -2408.1662 921491.4634 -2556.3622 -2408.1662
ENERGY: 474 20842.9705 20372.0986 5710.2160 180.7466 -337438.4553 23189.2339 0.0000 0.0000 44733.2314 -222409.9583 162.7272 -267143.1897 -222041.2621 162.7272 -1295.5530 -2316.2733 921491.4634 -1295.5530 -2316.2733
ENERGY: 475 19674.2081 20371.7672 5712.9876 182.2512 -336604.2313 23142.3808 0.0000 0.0000 45070.2145 -222450.4218 163.9531 -267520.6363 -222039.4532 163.9531 -344.6454 -2232.2130 921491.4634 -344.6454 -2232.2130
ENERGY: 476 19235.7863 20282.0272 5715.7683 184.0125 -336100.0904 23115.8457 0.0000 0.0000 45106.0639 -222460.5865 164.0835 -267566.6503 -222053.6141 164.0835 -92.4054 -2183.0658 921491.4634 -92.4054 -2183.0658
ENERGY: 477 19704.7252 20145.9810 5718.4976 185.9230 -336101.8789 23114.2930 0.0000 0.0000 44812.3213 -222420.1378 163.0149 -267232.4591 -222044.8414 163.0149 -667.4950 -2171.8233 921491.4634 -667.4950 -2171.8233
ENERGY: 478 20493.4777 19974.7635 5721.0254 187.7262 -336537.4035 23131.2451 0.0000 0.0000 44627.0338 -222402.1318 162.3409 -267029.1656 -222047.4110 162.3409 -1807.1608 -2198.7961 921491.4634 -1807.1608 -2198.7961
ENERGY: 479 21125.3059 19793.3953 5723.3295 189.2099 -337215.5837 23156.6763 0.0000 0.0000 44802.1582 -222425.5086 162.9779 -267227.6668 -222050.5463 162.9779 -3089.8520 -2246.7922 921491.4634 -3089.8520 -2246.7922
TIMING: 480 CPU: 225.07, 0.457907/step Wall: 225.07, 0.457907/step, 0.00254393 hours remaining, 3224.144531 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 21624.0328 19623.1963 5725.3111 190.1901 -337854.6779 23181.5110 0.0000 0.0000 45051.6816 -222458.7550 163.8856 -267510.4367 -222064.6210 163.8856 -4077.7330 -2291.4895 921491.4634 -4077.7330 -2291.4895
ENERGY: 481 22092.4856 19510.0433 5727.0952 190.6351 -338199.2474 23196.7951 0.0000 0.0000 45041.3368 -222440.8563 163.8480 -267482.1931 -222052.5265 163.8480 -4466.2398 -2305.6736 921491.4634 -4466.2398 -2305.6736
ENERGY: 482 22186.3469 19466.6795 5728.4963 190.3598 -338044.5411 23192.7466 0.0000 0.0000 44865.8518 -222414.0600 163.2096 -267279.9119 -222051.4112 163.2096 -4059.3102 -2278.0619 921491.4634 -4059.3102 -2278.0619
ENERGY: 483 21553.1414 19511.5747 5729.5660 189.3227 -337426.2177 23165.8733 0.0000 0.0000 44861.8968 -222414.8430 163.1953 -267276.7397 -222048.7672 163.1953 -2964.1726 -2216.4120 921491.4634 -2964.1726 -2216.4120
ENERGY: 484 20460.8926 19631.1941 5730.2465 187.5455 -336590.8880 23126.1344 0.0000 0.0000 45003.6030 -222451.2719 163.7107 -267454.8749 -222059.8744 163.7107 -1565.2428 -2143.1854 921491.4634 -1565.2428 -2143.1854
ENERGY: 485 19688.7722 19800.2994 5730.5256 185.2458 -335902.5862 23092.8464 0.0000 0.0000 44955.5723 -222449.3247 163.5360 -267404.8970 -222045.9607 163.5360 -422.1573 -2086.8739 921491.4634 -422.1573 -2086.8739
ENERGY: 486 19602.5429 19954.8178 5729.7197 182.4662 -335612.3565 23080.3801 0.0000 0.0000 44645.9114 -222416.5183 162.4096 -267062.4297 -222044.6762 162.4096 87.3177 -2070.0986 921491.4634 87.3177 -2070.0986
ENERGY: 487 19881.0927 20072.0215 5727.4347 179.4360 -335846.4481 23091.0539 0.0000 0.0000 44503.3492 -222392.0601 161.8910 -266895.4093 -222045.2408 161.8910 -192.2350 -2106.8844 921491.4634 -192.2350 -2106.8844
ENERGY: 488 20125.2099 20156.1364 5723.5440 176.4338 -336552.5452 23118.8612 0.0000 0.0000 44827.0556 -222425.3041 163.0685 -267252.3598 -222057.1939 163.0685 -1145.7536 -2194.6682 921491.4634 -1145.7536 -2194.6682
ENERGY: 489 20526.8872 20236.4612 5718.5748 173.8639 -337540.4655 23156.7306 0.0000 0.0000 45266.1003 -222461.8474 164.6656 -267727.9477 -222045.6086 164.6656 -2511.2406 -2316.7069 921491.4634 -2511.2406 -2316.7069
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7491 20292.9025 5712.8912 171.8438 -338458.1361 23196.4874 0.0000 0.0000 45213.5627 -222459.6994 164.4745 -267673.2620 -222048.2208 164.4745 -3823.4040 -2437.4157 921491.4634 -3823.4040 -2437.4157
ENERGY: 491 22430.4642 20312.1364 5707.3794 170.5404 -338984.5793 23226.0934 0.0000 0.0000 44733.0085 -222404.9569 162.7264 -267137.9654 -222049.4639 162.7264 -4629.6936 -2524.6217 921491.4634 -4629.6936 -2524.6217
ENERGY: 492 22612.9549 20289.6814 5702.9944 170.0208 -338937.5814 23232.7203 0.0000 0.0000 44542.1946 -222387.0152 162.0323 -266929.2097 -222060.3861 162.0323 -4606.8526 -2557.4732 921491.4634 -4606.8526 -2557.4732
ENERGY: 493 21558.2188 20260.7376 5700.7778 170.3201 -338358.0631 23214.0535 0.0000 0.0000 45033.8226 -222420.1327 163.8207 -267453.9553 -222046.5902 163.8207 -3796.3821 -2540.0998 921491.4634 -3796.3821 -2540.0998
ENERGY: 494 20068.3365 20225.0262 5700.9805 171.2193 -337454.3832 23183.0794 0.0000 0.0000 45622.2472 -222483.4941 165.9612 -268105.7412 -222044.0869 165.9612 -2500.8994 -2482.1070 921491.4634 -2500.8994 -2482.1070
ENERGY: 495 19383.2462 20186.8301 5703.5926 172.5416 -336566.9883 23159.4625 0.0000 0.0000 45484.1227 -222477.1926 165.4587 -267961.3154 -222041.5565 165.4587 -1249.6839 -2407.3057 921491.4634 -1249.6839 -2407.3057
ENERGY: 496 19722.4834 20130.6471 5708.0350 174.0933 -335998.7148 23154.2637 0.0000 0.0000 44699.5266 -222409.6657 162.6046 -267109.1923 -222049.0667 162.6046 -478.8997 -2343.4750 921491.4634 -478.8997 -2343.4750
ENERGY: 497 20212.6668 20059.9175 5713.4613 175.7242 -335952.5035 23166.3547 0.0000 0.0000 44261.0284 -222363.3507 161.0095 -266624.3791 -222042.7497 161.0095 -421.0231 -2316.7927 921491.4634 -421.0231 -2316.7927
ENERGY: 498 20182.0165 19957.1214 5718.5596 177.2604 -336366.4927 23189.3587 0.0000 0.0000 44728.2530 -222413.9230 162.7091 -267142.1760 -222044.5217 162.7091 -993.4678 -2331.6471 921491.4634 -993.4678 -2331.6471
ENERGY: 499 20158.0679 19847.7308 5722.4089 178.6361 -337058.4818 23219.2407 0.0000 0.0000 45439.2638 -222493.1336 165.2956 -267932.3975 -222047.2059 165.2956 -2020.8685 -2376.3389 921491.4634 -2020.8685 -2376.3389
Info: Benchmark time: 4 CPUs 0.45713 s/step 5.29085 days/ns 3224.14 MB memory
TIMING: 500 CPU: 234.156, 0.454284/step Wall: 234.156, 0.454284/step, 0 hours remaining, 3224.144531 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 20974.8937 19756.6584 5724.4523 179.8271 -337741.4189 23251.1011 0.0000 0.0000 45359.0771 -222495.4091 165.0039 -267854.4862 -222061.0909 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, 3229.398 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.398 MB of memory in use
====================================================
WallClock: 241.220917 CPUTime: 241.220917 Memory: 3229.398438 MB
[Partition 0][Node 0] End of program
Application 1111303 resources: utime ~948s, stime ~19s, Rss ~126764, inblocks ~66552, outblocks ~71878
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.220917
CPU=241.220917
MEM=3229.398438
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 18 18:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 18 18:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 18 18:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 18 18:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189499 Dec 18 18:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 18 18:46 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 18 18:46 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 18 18:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 18 18:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 18 18:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 18 18:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 18 18:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 18 18:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 18 18:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 18 18:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 18 18:21 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/jenkins12031847437263805780.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}
