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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 ============== 54.3283
LDB: Largest compute 200 load 0.431252 is 1.2% of average load 36.799435
LDB: Average compute 0.051553 is 0.1% of average load 36.799435
LDB: Partitioning computes with target load 3.679943
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055931
LDB: ============== END OF LOAD BALANCING =============== 54.3306
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.3314
Info: Initial time: 4 CPUs 0.473672 s/step 5.48232 days/ns 3221.35 MB memory
TIMING: 100 CPU: 48.34, 0.472784/step Wall: 48.34, 0.472784/step, 0.0525316 hours remaining, 3221.351562 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 ============== 63.7693
LDB: ============== END OF LOAD BALANCING =============== 63.7693
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7698
TIMING: 120 CPU: 57.7774, 0.47187/step Wall: 57.7774, 0.47187/step, 0.0498085 hours remaining, 3221.609375 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 -333203.4342 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8378 -222213.1815 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.2083, 0.471546/step Wall: 67.2083, 0.471546/step, 0.0471546 hours remaining, 3221.808594 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: 76.6277, 0.470969/step Wall: 76.6277, 0.470969/step, 0.0444804 hours remaining, 3221.941406 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: 180 CPU: 86.036, 0.470413/step Wall: 86.036, 0.470413/step, 0.0418145 hours remaining, 3222.082031 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 19234.9570 5686.4352 181.9571 -332240.0937 21043.7459 0.0000 0.0000 44391.5887 -222435.3691 161.4844 -266826.9578 -222129.2887 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2968 19471.4303 5678.7398 184.6336 -333156.1127 21076.9265 0.0000 0.0000 42449.0056 -222222.0801 154.4178 -264671.0857 -222130.9079 154.4178 -3641.8537 -2802.0867 921491.4634 -3641.8537 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 101.437
LDB: Largest compute 200 load 0.426356 is 1.2% of average load 36.623572
LDB: Average compute 0.051299 is 0.1% of average load 36.623572
LDB: TIME 101.438 LOAD: AVG 36.6236 MAX 37.6667 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.39 MB
LDB: TIME 101.441 LOAD: AVG 36.6236 MAX 37.4989 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.39 MB
LDB: ============== END OF LOAD BALANCING =============== 101.442
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.446
Info: Initial time: 4 CPUs 0.471035 s/step 5.45179 days/ns 3223.12 MB memory
TIMING: 200 CPU: 95.4532, 0.470863/step Wall: 95.4532, 0.470863/step, 0.0392386 hours remaining, 3223.121094 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 -333501.9371 21215.8254 0.0000 0.0000 44059.6985 -222431.1635 160.2771 -266490.8621 -222093.6428 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
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ENERGY: 208 20293.2704 20371.8903 5718.1572 182.8654 -334789.2376 21322.2410 0.0000 0.0000 44428.6270 -222472.1864 161.6191 -266900.8134 -222122.6313 161.6191 -3669.0644 -2719.7952 921491.4634 -3669.0644 -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 20194.2569 5705.3139 178.4614 -336615.7766 21385.1095 0.0000 0.0000 45251.4335 -222516.0280 164.6123 -267767.4615 -222108.2014 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -2896.2627
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ENERGY: 212 23739.2708 19730.8222 5710.0295 176.0352 -336013.6225 21412.5982 0.0000 0.0000 42995.1639 -222249.7025 156.4046 -265244.8665 -222104.2318 156.4046 -4424.1001 -2820.3210 921491.4634 -4424.1001 -2820.3210
ENERGY: 213 20150.2159 19524.5249 5720.1722 175.9508 -334874.6441 21380.5551 0.0000 0.0000 45418.7807 -222504.4446 165.2210 -267923.2253 -222097.3834 165.2210 -2174.3116 -2725.0841 921491.4634 -2174.3116 -2725.0841
ENERGY: 214 17315.5528 19421.7449 5733.3059 176.6827 -333645.3935 21358.4485 0.0000 0.0000 46958.4703 -222681.1884 170.8220 -269639.6588 -222093.7406 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5055 19441.9744 5746.5772 178.1492 -332787.3322 21379.5596 0.0000 0.0000 45302.6747 -222527.8916 164.7987 -267830.5663 -222091.0446 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4718 19522.5063 5756.9571 180.1770 -332560.1062 21436.4835 0.0000 0.0000 42442.1788 -222248.3317 154.3930 -264690.5105 -222073.6155 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3868 19581.4821 5762.2416 182.5517 -333010.6760 21497.2705 0.0000 0.0000 41983.6750 -222225.0682 152.7251 -264208.7432 -222064.4464 152.7251 -882.1700 -2598.7243 921491.4634 -882.1700 -2598.7243
ENERGY: 218 20165.9158 19540.0892 5761.2415 184.9927 -333856.1149 21546.6560 0.0000 0.0000 44178.6836 -222478.5360 160.7099 -266657.2196 -222068.8155 160.7099 -2628.0653 -2703.9746 921491.4634 -2628.0653 -2703.9746
ENERGY: 219 19429.8641 19413.3932 5754.3577 187.2447 -334778.0709 21596.8808 0.0000 0.0000 45751.9297 -222644.4007 166.4329 -268396.3304 -222073.1719 166.4329 -4457.7333 -2810.5237 921491.4634 -4457.7333 -2810.5237
TIMING: 220 CPU: 104.874, 0.471052/step Wall: 104.874, 0.471052/step, 0.0366374 hours remaining, 3223.121094 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: 114.287, 0.470654/step Wall: 114.287, 0.470654/step, 0.0339917 hours remaining, 3223.121094 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: 246 20878.5481 19853.7024 5716.8932 174.1558 -334213.1204 21705.0850 0.0000 0.0000 43600.4182 -222284.3177 158.6063 -265884.7358 -222067.4294 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5287 19979.6440 5712.7400 177.5412 -334802.1841 21719.8454 0.0000 0.0000 44912.1911 -222431.6935 163.3782 -267343.8847 -222068.1392 163.3782 -983.0001 -2552.5930 921491.4634 -983.0001 -2552.5930
ENERGY: 248 19035.4925 20164.4297 5713.8450 181.3144 -335623.1351 21746.4310 0.0000 0.0000 46185.9362 -222595.6863 168.0117 -268781.6225 -222090.3125 168.0117 -1359.1248 -2608.3066 921491.4634 -1359.1248 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9039 20013.1599 5733.2541 193.8023 -336093.2676 21826.9295 0.0000 0.0000 43905.3721 -222425.8457 159.7157 -266331.2179 -222091.3306 159.7157 -3843.4680 -2758.0338 921491.4634 -3843.4680 -2758.0338
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ENERGY: 256 20899.4410 18950.9579 5693.4518 195.6570 -332975.5975 21757.6847 0.0000 0.0000 43181.1612 -222297.2439 157.0812 -265478.4051 -222071.2741 157.0812 -2042.2410 -2664.5199 921491.4634 -2042.2410 -2664.5199
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TIMING: 260 CPU: 123.687, 0.470002/step Wall: 123.687, 0.470002/step, 0.0313335 hours remaining, 3223.425781 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 19781.1227 20140.5621 5703.8103 187.9445 -335614.9710 21924.4740 0.0000 0.0000 45349.7771 -222527.2802 164.9700 -267877.0574 -222051.1546 164.9700 -2647.8114 -2773.3903 921491.4634 -2647.8114 -2773.3903
ENERGY: 264 19385.2259 20436.4305 5710.6950 187.5052 -334855.9511 21907.7772 0.0000 0.0000 44751.4784 -222476.8389 162.7936 -267228.3172 -222069.1983 162.7936 -2191.1926 -2723.5293 921491.4634 -2191.1926 -2723.5293
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ENERGY: 266 20048.7899 20788.8701 5712.1327 187.6137 -334399.4578 21914.4805 0.0000 0.0000 43399.3797 -222348.1912 157.8750 -265747.5709 -222054.3634 157.8750 -2130.7242 -2664.5956 921491.4634 -2130.7242 -2664.5956
ENERGY: 267 19648.0906 20691.2679 5707.0583 187.8501 -334831.4857 21930.8374 0.0000 0.0000 44220.2168 -222446.1646 160.8610 -266666.3814 -222055.6585 160.8610 -2435.4236 -2662.6783 921491.4634 -2435.4236 -2662.6783
ENERGY: 268 19962.9161 20375.7516 5700.1930 187.9286 -335513.7450 21959.1257 0.0000 0.0000 44823.5377 -222504.2923 163.0557 -267327.8300 -222075.9874 163.0557 -2903.2126 -2658.6181 921491.4634 -2903.2126 -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 22620.1932 19450.9168 5690.3173 187.1618 -336650.6774 22028.8070 0.0000 0.0000 44308.0076 -222365.2737 161.1804 -266673.2813 -222067.0433 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
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ENERGY: 272 21021.5582 18896.0662 5692.8269 184.9335 -335921.4612 22015.0580 0.0000 0.0000 45607.7077 -222503.3107 165.9083 -268111.0185 -222081.1569 165.9083 -2551.9682 -2501.8804 921491.4634 -2551.9682 -2501.8804
ENERGY: 273 20123.2135 18932.9080 5697.5118 183.8526 -334925.7009 21985.5296 0.0000 0.0000 45502.7161 -222499.9693 165.5264 -268002.6854 -222069.0456 165.5264 -1837.1974 -2434.6759 921491.4634 -1837.1974 -2434.6759
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ENERGY: 276 19401.8502 19594.7508 5701.2547 182.4904 -333292.1280 21971.0409 0.0000 0.0000 44028.5272 -222412.2139 160.1637 -266440.7411 -222072.9393 160.1637 -1580.1301 -2417.6040 921491.4634 -1580.1301 -2417.6040
ENERGY: 277 19149.2972 19724.7160 5695.5210 182.9396 -333864.3453 21997.2387 0.0000 0.0000 44632.8112 -222481.8216 162.3619 -267114.6328 -222061.0986 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4577 19713.7759 5686.9122 183.6585 -334821.1002 22041.3358 0.0000 0.0000 44532.2541 -222463.7060 161.9961 -266995.9601 -222063.4129 161.9961 -3254.8157 -2593.7696 921491.4634 -3254.8157 -2593.7696
ENERGY: 279 21984.3649 19593.9430 5677.5176 184.5187 -335888.5799 22096.4198 0.0000 0.0000 43975.0881 -222376.7278 159.9693 -266351.8159 -222065.2022 159.9693 -4044.3213 -2682.8389 921491.4634 -4044.3213 -2682.8389
TIMING: 280 CPU: 133.087, 0.469977/step Wall: 133.087, 0.469977/step, 0.0287208 hours remaining, 3223.425781 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 19458.4366 5670.0026 185.3899 -336752.6631 22145.1353 0.0000 0.0000 44066.7340 -222367.6418 160.3027 -266434.3758 -222073.4246 160.3027 -4286.3893 -2748.0546 921491.4634 -4286.3893 -2748.0546
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ENERGY: 282 20943.7896 19615.5379 5669.9796 186.8360 -336942.5032 22176.7653 0.0000 0.0000 45823.3371 -222526.2576 166.6927 -268349.5948 -222063.3315 166.6927 -2992.3270 -2779.3668 921491.4634 -2992.3270 -2779.3668
ENERGY: 283 20432.1059 19966.6615 5678.8137 187.1634 -336251.9199 22171.0647 0.0000 0.0000 45328.8521 -222487.2586 164.8939 -267816.1107 -222060.8458 164.8939 -2008.7735 -2748.2306 921491.4634 -2008.7735 -2748.2306
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ENERGY: 285 20203.3287 20789.9630 5707.3565 186.7145 -334827.1968 22167.0165 0.0000 0.0000 43418.2632 -222354.5546 157.9437 -265772.8178 -222053.5967 157.9437 -1010.8439 -2700.0821 921491.4634 -1010.8439 -2700.0821
ENERGY: 286 19396.6309 20966.5623 5721.5031 185.8229 -334658.1151 22176.6862 0.0000 0.0000 43785.6883 -222425.2213 159.2803 -266210.9096 -222054.0583 159.2803 -1306.7503 -2717.2848 921491.4634 -1306.7503 -2717.2848
ENERGY: 287 19176.1191 20856.7823 5731.9346 184.4714 -334918.1483 22200.2909 0.0000 0.0000 44282.9440 -222485.6060 161.0892 -266768.5499 -222055.7254 161.0892 -2148.9614 -2753.3345 921491.4634 -2148.9614 -2753.3345
ENERGY: 288 20263.2089 20475.2852 5736.9557 182.7335 -335468.3150 22237.9036 0.0000 0.0000 44116.9907 -222455.2375 160.4855 -266572.2282 -222066.9053 160.4855 -3310.5880 -2790.1554 921491.4634 -3310.5880 -2790.1554
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.489
LDB: Largest compute 200 load 0.520502 is 1.1% of average load 45.685526
LDB: Average compute 0.063984 is 0.1% of average load 45.685526
LDB: TIME 148.491 LOAD: AVG 45.6855 MAX 47.0437 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.78 MB
LDB: TIME 148.492 LOAD: AVG 45.6855 MAX 47.0437 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3223.78 MB
LDB: TIME 148.507 LOAD: AVG 45.6855 MAX 46.2078 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.78 MB
LDB: ============== END OF LOAD BALANCING =============== 148.508
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.51
Info: Initial time: 4 CPUs 0.47011 s/step 5.44109 days/ns 3223.78 MB memory
TIMING: 300 CPU: 142.485, 0.469894/step Wall: 142.485, 0.469894/step, 0.0261052 hours remaining, 3223.781250 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: 151.707, 0.461098/step Wall: 151.707, 0.461098/step, 0.0230549 hours remaining, 3223.781250 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: 160.921, 0.460708/step Wall: 160.921, 0.460708/step, 0.0204759 hours remaining, 3223.781250 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: 170.129, 0.460399/step Wall: 170.129, 0.460399/step, 0.0179044 hours remaining, 3223.781250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 377 20646.4608 20251.1591 5706.5521 182.3248 -335763.5796 22794.3777 0.0000 0.0000 43848.2750 -222334.4300 159.5080 -266182.7050 -222041.4010 159.5080 -1819.5856 -2472.4984 921491.4634 -1819.5856 -2472.4984
ENERGY: 378 20473.8099 20495.6593 5711.4639 183.2952 -336584.2274 22821.5841 0.0000 0.0000 44474.7532 -222423.6618 161.7869 -266898.4150 -222044.3965 161.7869 -2972.9871 -2523.3496 921491.4634 -2972.9871 -2523.3496
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TIMING: 380 CPU: 179.331, 0.460102/step Wall: 179.331, 0.460102/step, 0.0153367 hours remaining, 3223.781250 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 19596.0355 5710.5349 179.0647 -336052.0487 22884.2538 0.0000 0.0000 45539.1828 -222517.5656 165.6590 -268056.7484 -222062.0924 165.6590 -569.2378 -2166.9356 921491.4634 -569.2378 -2166.9356
ENERGY: 385 19327.8180 19356.8913 5707.7751 177.4354 -335210.6402 22871.6147 0.0000 0.0000 45299.7168 -222469.3887 164.7879 -267769.1055 -222051.0991 164.7879 215.3516 -2064.3634 921491.4634 215.3516 -2064.3634
ENERGY: 386 19981.2272 19220.9465 5707.6638 175.9384 -334865.1819 22880.7961 0.0000 0.0000 44519.8584 -222378.7514 161.9510 -266898.6098 -222051.0435 161.9510 122.6671 -2011.2426 921491.4634 122.6671 -2011.2426
ENERGY: 387 20367.2859 19202.4845 5710.9354 174.6759 -335109.8727 22905.2747 0.0000 0.0000 44377.1815 -222372.0347 161.4320 -266749.2162 -222053.0048 161.4320 -738.9584 -2019.1687 921491.4634 -738.9584 -2019.1687
ENERGY: 388 20282.3987 19280.0168 5717.2934 173.7038 -335824.1521 22938.2904 0.0000 0.0000 44972.7761 -222459.6730 163.5986 -267432.4490 -222067.4816 163.5986 -2063.8552 -2076.2819 921491.4634 -2063.8552 -2076.2819
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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: 397 19906.7784 20200.7710 5721.4919 176.2273 -336102.8180 22990.0374 0.0000 0.0000 44712.8680 -222394.6440 162.6531 -267107.5120 -222042.6598 162.6531 -376.0863 -2327.2102 921491.4634 -376.0863 -2327.2102
ENERGY: 398 19692.8117 20133.3591 5716.9814 176.0456 -336812.3383 23014.0584 0.0000 0.0000 45592.7326 -222486.3494 165.8538 -268079.0821 -222045.7220 165.8538 -1710.2237 -2443.6965 921491.4634 -1710.2237 -2443.6965
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LDB: ============= START OF LOAD BALANCING ============== 194.557
LDB: Largest compute 230 load 0.526428 is 1.2% of average load 45.663324
LDB: Average compute 0.063941 is 0.1% of average load 45.663324
LDB: TIME 194.559 LOAD: AVG 45.6633 MAX 46.0473 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.78 MB
LDB: TIME 194.559 LOAD: AVG 45.6633 MAX 46.0473 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.78 MB
LDB: TIME 194.559 LOAD: AVG 45.6633 MAX 46.0473 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.78 MB
LDB: ============== END OF LOAD BALANCING =============== 194.56
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.561
Info: Benchmark time: 4 CPUs 0.460417 s/step 5.3289 days/ns 3223.78 MB memory
TIMING: 400 CPU: 188.531, 0.45998/step Wall: 188.531, 0.45998/step, 0.0127772 hours remaining, 3223.781250 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: 403 20784.9694 19778.4828 5715.7218 174.2695 -337239.9782 23077.8399 0.0000 0.0000 45225.5967 -222483.0982 164.5183 -267708.6949 -222046.6851 164.5183 -3613.5979 -2605.7429 921491.4634 -3613.5979 -2605.7429
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ENERGY: 408 19735.8470 19387.6643 5692.2151 187.5226 -335902.8216 23017.8169 0.0000 0.0000 45394.4125 -222487.3431 165.1324 -267881.7556 -222063.5311 165.1324 -920.8282 -2294.1557 921491.4634 -920.8282 -2294.1557
ENERGY: 409 20350.1189 19376.4606 5688.4775 191.1593 -336896.6844 23057.9918 0.0000 0.0000 45733.6061 -222498.8703 166.3663 -268232.4763 -222051.6704 166.3663 -2367.4921 -2346.9326 921491.4634 -2367.4921 -2346.9326
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 415 19745.2667 20572.1257 5708.7452 198.1487 -336456.1970 23071.1987 0.0000 0.0000 44733.2277 -222427.4844 162.7272 -267160.7121 -222049.0346 162.7272 -1174.6454 -2266.5617 921491.4634 -1174.6454 -2266.5617
ENERGY: 416 19942.3169 20661.9894 5710.0857 195.6953 -336157.5858 23063.1711 0.0000 0.0000 44200.2854 -222384.0420 160.7885 -266584.3274 -222052.9643 160.7885 -282.7615 -2224.6898 921491.4634 -282.7615 -2224.6898
ENERGY: 417 20031.3748 20631.3208 5709.0494 192.4696 -336373.1071 23072.1095 0.0000 0.0000 44338.4623 -222398.3208 161.2911 -266736.7831 -222044.6992 161.2911 -112.4555 -2227.1701 921491.4634 -112.4555 -2227.1701
ENERGY: 418 20154.6648 20457.0908 5705.5847 188.6536 -336970.7863 23098.6723 0.0000 0.0000 44915.1424 -222450.9777 163.3889 -267366.1201 -222046.7092 163.3889 -671.8548 -2269.9923 921491.4634 -671.8548 -2269.9923
ENERGY: 419 20790.7632 20185.5523 5700.4810 184.6054 -337717.8752 23139.8020 0.0000 0.0000 45250.3101 -222466.3612 164.6082 -267716.6713 -222049.5949 164.6082 -1783.9423 -2336.6466 921491.4634 -1783.9423 -2336.6466
TIMING: 420 CPU: 197.707, 0.458808/step Wall: 197.707, 0.458808/step, 0.0101957 hours remaining, 3223.781250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 427 19598.5314 19595.2900 5707.1504 168.7509 -335498.4312 23074.5003 0.0000 0.0000 44915.2771 -222438.9310 163.3894 -267354.2082 -222048.7338 163.3894 -741.9010 -2207.6356 921491.4634 -741.9010 -2207.6356
ENERGY: 428 20140.4227 19760.4172 5710.4628 168.5259 -336199.9842 23087.7673 0.0000 0.0000 44884.2589 -222448.1294 163.2766 -267332.3883 -222058.0547 163.2766 -935.5732 -2206.9584 921491.4634 -935.5732 -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 22013.9871 20024.3738 5712.1700 168.1897 -338096.9193 23149.4489 0.0000 0.0000 44626.3094 -222402.4404 162.3382 -267028.7498 -222047.3912 162.3382 -2472.2456 -2268.0465 921491.4634 -2472.2456 -2268.0465
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ENERGY: 432 21768.3702 20188.6723 5710.3546 168.1086 -338651.2090 23176.0842 0.0000 0.0000 45177.9907 -222461.6284 164.3451 -267639.6190 -222065.9057 164.3451 -3350.2741 -2296.1497 921491.4634 -3350.2741 -2296.1497
ENERGY: 433 21200.9071 20275.9663 5710.3763 168.4633 -338164.0626 23162.2907 0.0000 0.0000 45192.9280 -222453.1310 164.3995 -267646.0590 -222052.5981 164.3995 -3187.3733 -2272.1276 921491.4634 -3187.3733 -2272.1276
ENERGY: 434 20730.3412 20338.1499 5711.6061 169.3247 -337394.2694 23140.7732 0.0000 0.0000 44883.0994 -222420.9750 163.2724 -267304.0744 -222051.1461 163.2724 -2694.3108 -2227.7885 921491.4634 -2694.3108 -2227.7885
ENERGY: 435 20235.2199 20362.4015 5714.0003 170.8455 -336680.6545 23123.4094 0.0000 0.0000 44675.9837 -222398.7943 162.5189 -267074.7780 -222049.5887 162.5189 -2061.3582 -2179.8951 921491.4634 -2061.3582 -2179.8951
ENERGY: 436 19670.9240 20349.9982 5717.2345 173.0864 -336303.8803 23119.9074 0.0000 0.0000 44847.0982 -222425.6315 163.1414 -267272.7297 -222059.6957 163.1414 -1520.6599 -2145.1618 921491.4634 -1520.6599 -2145.1618
ENERGY: 437 19434.5515 20329.5094 5720.9893 175.9827 -336411.9778 23136.3865 0.0000 0.0000 45159.2685 -222455.2899 164.2770 -267614.5584 -222050.7501 164.2770 -1319.1170 -2134.4850 921491.4634 -1319.1170 -2134.4850
ENERGY: 438 19935.1533 20278.6098 5724.6884 179.3848 -336899.4571 23173.5516 0.0000 0.0000 45148.1321 -222459.9372 164.2365 -267608.0692 -222051.5666 164.2365 -1493.0943 -2145.0882 921491.4634 -1493.0943 -2145.0882
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TIMING: 440 CPU: 206.879, 0.458607/step Wall: 206.879, 0.458607/step, 0.00764344 hours remaining, 3223.781250 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 20036.2374 5729.7527 186.7201 -338123.1807 23276.2483 0.0000 0.0000 44417.5459 -222405.1080 161.5788 -266822.6539 -222059.4774 161.5788 -2408.4615 -2197.9674 921491.4634 -2408.4615 -2197.9674
ENERGY: 441 22355.5484 19860.0412 5730.3488 190.1145 -338361.1716 23313.2043 0.0000 0.0000 44502.6965 -222409.2180 161.8886 -266911.9145 -222050.0861 161.8886 -2716.1029 -2221.5315 921491.4634 -2716.1029 -2221.5315
ENERGY: 442 21853.6116 19664.5351 5729.4854 192.9411 -338090.1534 23327.1566 0.0000 0.0000 44880.6320 -222441.7914 163.2634 -267322.4235 -222049.7756 163.2634 -2710.5578 -2229.0698 921491.4634 -2710.5578 -2229.0698
ENERGY: 443 21064.3316 19487.0724 5727.6164 194.9329 -337369.3150 23320.0156 0.0000 0.0000 45118.1106 -222457.2355 164.1273 -267575.3461 -222048.5997 164.1273 -2448.1650 -2220.3533 921491.4634 -2448.1650 -2220.3533
ENERGY: 444 20449.3363 19357.2691 5725.4095 195.8734 -336464.1922 23301.5274 0.0000 0.0000 44987.7175 -222447.0589 163.6530 -267434.7764 -222057.9799 163.6530 -2090.2101 -2206.4400 921491.4634 -2090.2101 -2206.4400
ENERGY: 445 20125.5607 19307.2518 5723.6513 195.6942 -335759.3913 23283.8137 0.0000 0.0000 44708.7153 -222414.7043 162.6380 -267123.4196 -222046.5429 162.6380 -1846.9627 -2201.6926 921491.4634 -1846.9627 -2201.6926
ENERGY: 446 19947.6803 19324.9005 5722.5430 194.3235 -335494.5706 23276.0449 0.0000 0.0000 44620.2944 -222408.7840 162.3164 -267029.0784 -222046.1621 162.3164 -1800.7519 -2216.7294 921491.4634 -1800.7519 -2216.7294
ENERGY: 447 19914.2847 19416.0209 5722.2107 191.8641 -335769.4397 23282.7457 0.0000 0.0000 44816.5085 -222425.8051 163.0301 -267242.3136 -222046.8344 163.0301 -1993.3113 -2253.0604 921491.4634 -1993.3113 -2253.0604
ENERGY: 448 20187.5922 19583.6799 5722.5765 188.5554 -336503.1797 23303.8903 0.0000 0.0000 45065.6669 -222451.2187 163.9365 -267516.8856 -222059.3482 163.9365 -2372.1879 -2303.7899 921491.4634 -2372.1879 -2303.7899
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4852 20108.1298 5724.4776 181.0897 -338419.3245 23364.6242 0.0000 0.0000 44854.3091 -222432.2088 163.1676 -267286.5179 -222048.7862 163.1676 -3116.6757 -2394.3896 921491.4634 -3116.6757 -2394.3896
ENERGY: 451 22355.5900 20357.7253 5724.7144 177.6517 -338952.0904 23381.8006 0.0000 0.0000 44542.6982 -222411.9102 162.0341 -266954.6084 -222048.8248 162.0341 -3074.2534 -2405.7798 921491.4634 -3074.2534 -2405.7798
ENERGY: 452 22246.2014 20536.0132 5723.8953 174.8859 -338927.1530 23378.0943 0.0000 0.0000 44452.9190 -222415.1439 161.7075 -266868.0629 -222059.6370 161.7075 -2659.9604 -2384.7567 921491.4634 -2659.9604 -2384.7567
ENERGY: 453 21399.8726 20641.1309 5722.2878 173.1350 -338392.7928 23354.5907 0.0000 0.0000 44683.7027 -222418.0730 162.5470 -267101.7756 -222043.5371 162.5470 -2048.3338 -2342.4667 921491.4634 -2048.3338 -2342.4667
ENERGY: 454 20248.3382 20654.1372 5720.2217 172.3637 -337567.1409 23320.6902 0.0000 0.0000 45008.1458 -222443.2441 163.7273 -267451.3899 -222041.8391 163.7273 -1453.4578 -2293.1449 921491.4634 -1453.4578 -2293.1449
ENERGY: 455 19486.7906 20584.7119 5718.4844 172.5169 -336790.6447 23290.4024 0.0000 0.0000 45086.5782 -222451.1603 164.0126 -267537.7385 -222040.8570 164.0126 -1151.8823 -2255.8570 921491.4634 -1151.8823 -2255.8570
ENERGY: 456 19493.3720 20440.6799 5717.7556 173.4248 -336350.1069 23274.9632 0.0000 0.0000 44811.4721 -222438.4393 163.0118 -267249.9114 -222055.3483 163.0118 -1305.5002 -2245.5821 921491.4634 -1305.5002 -2245.5821
ENERGY: 457 20047.4928 20251.9434 5718.5580 174.9241 -336395.8159 23277.8276 0.0000 0.0000 44521.8700 -222403.2000 161.9583 -266925.0700 -222049.4130 161.9583 -1906.4163 -2263.5011 921491.4634 -1906.4163 -2263.5011
ENERGY: 458 20585.8434 20019.2723 5720.7061 176.6081 -336835.0954 23294.7174 0.0000 0.0000 44632.7885 -222405.1596 162.3618 -267037.9481 -222051.2820 162.3618 -2684.6986 -2301.0426 921491.4634 -2684.6986 -2301.0426
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TIMING: 460 CPU: 216.038, 0.457964/step Wall: 216.038, 0.457964/step, 0.00508849 hours remaining, 3223.781250 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 21262.6137 19597.9065 5728.0972 179.4910 -338014.3765 23341.8003 0.0000 0.0000 45423.8564 -222480.6115 165.2395 -267904.4679 -222064.6835 165.2395 -3669.8202 -2365.2412 921491.4634 -3669.8202 -2365.2412
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ENERGY: 462 22264.2255 19487.8112 5736.4823 180.9531 -337988.7170 23351.1087 0.0000 0.0000 44559.9289 -222408.2073 162.0968 -266968.1363 -222056.7213 162.0968 -2954.8201 -2323.4251 921491.4634 -2954.8201 -2323.4251
ENERGY: 463 21821.1792 19513.9018 5738.9361 181.1160 -337284.1029 23326.9478 0.0000 0.0000 44313.4569 -222388.5651 161.2002 -266702.0220 -222054.6241 161.2002 -2012.4425 -2264.0779 921491.4634 -2012.4425 -2264.0779
ENERGY: 464 20535.2461 19559.9274 5739.2518 181.0096 -336389.3845 23291.1942 0.0000 0.0000 44654.0266 -222428.7287 162.4391 -267082.7553 -222058.5731 162.4391 -1050.9228 -2205.5270 921491.4634 -1050.9228 -2205.5270
ENERGY: 465 19322.7827 19631.8855 5737.2899 180.7155 -335701.1538 23259.7392 0.0000 0.0000 45094.5689 -222474.1722 164.0416 -267568.7411 -222052.9390 164.0416 -512.3348 -2174.4010 921491.4634 -512.3348 -2174.4010
ENERGY: 466 19088.4510 19708.3581 5733.2107 180.2808 -335443.7730 23245.0604 0.0000 0.0000 45020.7910 -222467.6209 163.7733 -267488.4119 -222052.9788 163.7733 -630.3315 -2182.6712 921491.4634 -630.3315 -2182.6712
ENERGY: 467 19841.8069 19783.1741 5727.6704 179.7757 -335721.0954 23249.4530 0.0000 0.0000 44523.6668 -222415.5485 161.9649 -266939.2153 -222054.3497 161.9649 -1393.6031 -2232.5926 921491.4634 -1393.6031 -2232.5926
ENERGY: 468 20761.8481 19845.4941 5721.5090 179.2779 -336451.5665 23265.8125 0.0000 0.0000 44291.6589 -222385.9661 161.1209 -266677.6250 -222056.3589 161.1209 -2508.6714 -2314.1340 921491.4634 -2508.6714 -2314.1340
ENERGY: 469 21236.3015 19910.2020 5715.6824 178.8504 -337458.3201 23284.3961 0.0000 0.0000 44720.3206 -222412.5671 162.6802 -267132.8878 -222046.0749 162.6802 -3596.7406 -2405.7973 921491.4634 -3596.7406 -2405.7973
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1729 19972.8933 5710.9491 178.5947 -338383.2507 23297.0672 0.0000 0.0000 45346.4579 -222466.1155 164.9580 -267812.5734 -222047.6087 164.9580 -4259.6997 -2477.6832 921491.4634 -4259.6997 -2477.6832
ENERGY: 471 21732.8677 20054.6834 5707.9626 178.5890 -338913.2452 23297.5084 0.0000 0.0000 45471.3371 -222470.2969 165.4122 -267941.6340 -222047.5358 165.4122 -4290.5685 -2504.3176 921491.4634 -4290.5685 -2504.3176
ENERGY: 472 22081.2361 20161.5551 5707.0091 178.9047 -338870.6769 23279.4490 0.0000 0.0000 45028.5300 -222433.9929 163.8014 -267462.5229 -222059.5058 163.8014 -3659.7363 -2479.9185 921491.4634 -3659.7363 -2479.9185
ENERGY: 473 21866.1363 20289.3425 5707.9843 179.6165 -338307.7193 23240.7362 0.0000 0.0000 44634.5177 -222389.3859 162.3681 -267023.9036 -222043.8540 162.3681 -2556.3618 -2408.1659 921491.4634 -2556.3618 -2408.1659
ENERGY: 474 20842.9704 20372.0984 5710.2160 180.7466 -337438.4554 23189.2347 0.0000 0.0000 44733.2311 -222409.9582 162.7272 -267143.1892 -222041.2620 162.7272 -1295.5526 -2316.2730 921491.4634 -1295.5526 -2316.2730
ENERGY: 475 19674.2079 20371.7672 5712.9876 182.2512 -336604.2315 23142.3816 0.0000 0.0000 45070.2144 -222450.4216 163.9531 -267520.6360 -222039.4530 163.9531 -344.6450 -2232.2127 921491.4634 -344.6450 -2232.2127
ENERGY: 476 19235.7860 20282.0272 5715.7683 184.0125 -336100.0905 23115.8465 0.0000 0.0000 45106.0638 -222460.5861 164.0835 -267566.6499 -222053.6137 164.0835 -92.4049 -2183.0653 921491.4634 -92.4049 -2183.0653
ENERGY: 477 19704.7249 20145.9811 5718.4976 185.9230 -336101.8791 23114.2938 0.0000 0.0000 44812.3212 -222420.1374 163.0149 -267232.4586 -222044.8411 163.0149 -667.4946 -2171.8229 921491.4634 -667.4946 -2171.8229
ENERGY: 478 20493.4776 19974.7637 5721.0254 187.7262 -336537.4037 23131.2459 0.0000 0.0000 44627.0335 -222402.1314 162.3409 -267029.1649 -222047.4106 162.3409 -1807.1604 -2198.7957 921491.4634 -1807.1604 -2198.7957
ENERGY: 479 21125.3057 19793.3956 5723.3295 189.2099 -337215.5839 23156.6771 0.0000 0.0000 44802.1579 -222425.5082 162.9779 -267227.6661 -222050.5459 162.9779 -3089.8516 -2246.7918 921491.4634 -3089.8516 -2246.7918
TIMING: 480 CPU: 225.193, 0.457764/step Wall: 225.193, 0.457764/step, 0.00254313 hours remaining, 3223.781250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0326 19623.1966 5725.3111 190.1901 -337854.6788 23181.5118 0.0000 0.0000 45051.6815 -222458.7552 163.8856 -267510.4367 -222064.6212 163.8856 -4077.7328 -2291.4893 921491.4634 -4077.7328 -2291.4893
ENERGY: 481 22092.4852 19510.0435 5727.0952 190.6351 -338199.2483 23196.7959 0.0000 0.0000 45041.3368 -222440.8565 163.8480 -267482.1933 -222052.5268 163.8480 -4466.2395 -2305.6733 921491.4634 -4466.2395 -2305.6733
ENERGY: 482 22186.3466 19466.6795 5728.4964 190.3598 -338044.5420 23192.7474 0.0000 0.0000 44865.8519 -222414.0603 163.2096 -267279.9122 -222051.4115 163.2096 -4059.3098 -2278.0615 921491.4634 -4059.3098 -2278.0615
ENERGY: 483 21553.1413 19511.5745 5729.5660 189.3227 -337426.2186 23165.8741 0.0000 0.0000 44861.8969 -222414.8432 163.1953 -267276.7401 -222048.7674 163.1953 -2964.1722 -2216.4116 921491.4634 -2964.1722 -2216.4116
ENERGY: 484 20460.8925 19631.1938 5730.2465 187.5455 -336590.8881 23126.1352 0.0000 0.0000 45003.6031 -222451.2715 163.7107 -267454.8747 -222059.8740 163.7107 -1565.2423 -2143.1849 921491.4634 -1565.2423 -2143.1849
ENERGY: 485 19688.7720 19800.2989 5730.5256 185.2458 -335902.5863 23092.8471 0.0000 0.0000 44955.5724 -222449.3244 163.5360 -267404.8968 -222045.9604 163.5360 -422.1568 -2086.8735 921491.4634 -422.1568 -2086.8735
ENERGY: 486 19602.5426 19954.8174 5729.7197 182.4662 -335612.3563 23080.3808 0.0000 0.0000 44645.9116 -222416.5180 162.4096 -267062.4296 -222044.6758 162.4096 87.3181 -2070.0982 921491.4634 87.3181 -2070.0982
ENERGY: 487 19881.0924 20072.0210 5727.4347 179.4360 -335846.4477 23091.0545 0.0000 0.0000 44503.3493 -222392.0597 161.8910 -266895.4090 -222045.2405 161.8910 -192.2346 -2106.8840 921491.4634 -192.2346 -2106.8840
ENERGY: 488 20125.2097 20156.1360 5723.5441 176.4338 -336552.5449 23118.8618 0.0000 0.0000 44827.0555 -222425.3040 163.0685 -267252.3595 -222057.1937 163.0685 -1145.7533 -2194.6678 921491.4634 -1145.7533 -2194.6678
ENERGY: 489 20526.8871 20236.4608 5718.5748 173.8639 -337540.4652 23156.7312 0.0000 0.0000 45266.1002 -222461.8472 164.6656 -267727.9474 -222045.6085 164.6656 -2511.2404 -2316.7065 921491.4634 -2511.2404 -2316.7065
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7489 20292.9021 5712.8912 171.8438 -338458.1359 23196.4880 0.0000 0.0000 45213.5627 -222459.6992 164.4745 -267673.2620 -222048.2207 164.4745 -3823.4038 -2437.4153 921491.4634 -3823.4038 -2437.4153
ENERGY: 491 22430.4639 20312.1360 5707.3795 170.5404 -338984.5794 23226.0941 0.0000 0.0000 44733.0088 -222404.9568 162.7264 -267137.9656 -222049.4637 162.7264 -4629.6933 -2524.6213 921491.4634 -4629.6933 -2524.6213
ENERGY: 492 22612.9546 20289.6810 5702.9944 170.0208 -338937.5817 23232.7209 0.0000 0.0000 44542.1951 -222387.0150 162.0323 -266929.2101 -222060.3859 162.0323 -4606.8522 -2557.4728 921491.4634 -4606.8522 -2557.4728
ENERGY: 493 21558.2186 20260.7373 5700.7779 170.3201 -338358.0636 23214.0541 0.0000 0.0000 45033.8232 -222420.1325 163.8207 -267453.9557 -222046.5899 163.8207 -3796.3817 -2540.0994 921491.4634 -3796.3817 -2540.0994
ENERGY: 494 20068.3365 20225.0260 5700.9805 171.2193 -337454.3839 23183.0800 0.0000 0.0000 45622.2478 -222483.4938 165.9612 -268105.7416 -222044.0866 165.9612 -2500.8990 -2482.1067 921491.4634 -2500.8990 -2482.1067
ENERGY: 495 19383.2463 20186.8301 5703.5926 172.5416 -336566.9892 23159.4630 0.0000 0.0000 45484.1233 -222477.1924 165.4587 -267961.3157 -222041.5562 165.4587 -1249.6835 -2407.3054 921491.4634 -1249.6835 -2407.3054
ENERGY: 496 19722.4835 20130.6474 5708.0350 174.0933 -335998.7162 23154.2640 0.0000 0.0000 44699.5271 -222409.6658 162.6046 -267109.1929 -222049.0668 162.6046 -478.8996 -2343.4749 921491.4634 -478.8996 -2343.4749
ENERGY: 497 20212.6669 20059.9179 5713.4613 175.7242 -335952.5049 23166.3550 0.0000 0.0000 44261.0288 -222363.3508 161.0095 -266624.3796 -222042.7498 161.0095 -421.0231 -2316.7927 921491.4634 -421.0231 -2316.7927
ENERGY: 498 20182.0166 19957.1220 5718.5596 177.2604 -336366.4940 23189.3590 0.0000 0.0000 44728.2533 -222413.9231 162.7091 -267142.1765 -222044.5218 162.7091 -993.4678 -2331.6471 921491.4634 -993.4678 -2331.6471
ENERGY: 499 20158.0679 19847.7313 5722.4089 178.6361 -337058.4830 23219.2408 0.0000 0.0000 45439.2642 -222493.1337 165.2956 -267932.3979 -222047.2060 165.2956 -2020.8687 -2376.3389 921491.4634 -2020.8687 -2376.3389
Info: Benchmark time: 4 CPUs 0.457425 s/step 5.29427 days/ns 3223.78 MB memory
TIMING: 500 CPU: 234.273, 0.453991/step Wall: 234.273, 0.453991/step, 0 hours remaining, 3223.781250 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 19756.6588 5724.4523 179.8271 -337741.4200 23251.1013 0.0000 0.0000 45359.0775 -222495.4093 165.0039 -267854.4868 -222061.0911 165.0039 -3197.5169 -2425.4142 921491.4634 -3197.5169 -2425.4142
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3228.719 MB of memory in use
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3228.719 MB of memory in use
====================================================
WallClock: 241.188782 CPUTime: 241.188782 Memory: 3228.718750 MB
[Partition 0][Node 0] End of program
Application 1111890 resources: utime ~947s, stime ~19s, Rss ~126032, inblocks ~66664, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.188782
CPU=241.188782
MEM=3228.718750
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 20 19:12 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 20 19:12 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 20 19:12 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 20 19:11 status
-rwxr-xr-x 1 bwjenkins BW_System 189499 Dec 20 19:11 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505293 Dec 20 19:06 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 20 19:06 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 20 18:56 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 20 18:43 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 20 18:43 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 20 18:43 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 20 18:41 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 20 18:41 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 20 18:41 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 20 18:41 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 20 18:41 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/jenkins8767547490963382803.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}
