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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 ============== 54.5201
LDB: Largest compute 200 load 0.431201 is 1.2% of average load 36.796783
LDB: Average compute 0.051544 is 0.1% of average load 36.796783
LDB: Partitioning computes with target load 3.679678
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.056083
LDB: ============== END OF LOAD BALANCING =============== 54.5223
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.5232
Info: Initial time: 4 CPUs 0.474079 s/step 5.48702 days/ns 3221.58 MB memory
TIMING: 100 CPU: 48.3787, 0.47311/step Wall: 48.3787, 0.47311/step, 0.0525678 hours remaining, 3221.582031 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 ============== 63.9646
LDB: ============== END OF LOAD BALANCING =============== 63.9646
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9651
TIMING: 120 CPU: 57.8207, 0.472101/step Wall: 57.8207, 0.472101/step, 0.0498329 hours remaining, 3221.757812 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 19195.4802 5730.8549 192.8766 -333203.4345 21083.5324 0.0000 0.0000 42784.9639 -222340.8741 155.6399 -265125.8380 -222213.1817 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.2557, 0.471748/step Wall: 67.2557, 0.471748/step, 0.0471748 hours remaining, 3221.960938 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: 76.6785, 0.471142/step Wall: 76.6785, 0.471142/step, 0.0444967 hours remaining, 3222.125000 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: 86.0915, 0.470647/step Wall: 86.0915, 0.470647/step, 0.0418353 hours remaining, 3222.265625 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 19266.0407 19234.9571 5686.4352 181.9571 -332240.0940 21043.7460 0.0000 0.0000 44391.5887 -222435.3693 161.4844 -266826.9580 -222129.2889 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2968 19471.4303 5678.7398 184.6336 -333156.1130 21076.9265 0.0000 0.0000 42449.0056 -222222.0802 154.4178 -264671.0859 -222130.9081 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 ============== 101.651
LDB: Largest compute 200 load 0.426483 is 1.2% of average load 36.616125
LDB: Average compute 0.051289 is 0.1% of average load 36.616125
LDB: TIME 101.653 LOAD: AVG 36.6161 MAX 37.6862 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.61 MB
LDB: TIME 101.655 LOAD: AVG 36.6161 MAX 37.5026 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.61 MB
LDB: ============== END OF LOAD BALANCING =============== 101.657
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.66
Info: Initial time: 4 CPUs 0.471277 s/step 5.4546 days/ns 3223.47 MB memory
TIMING: 200 CPU: 95.5163, 0.47124/step Wall: 95.5163, 0.47124/step, 0.03927 hours remaining, 3223.468750 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 20743.8946 19130.0389 5729.2400 192.0764 -333501.9373 21215.8254 0.0000 0.0000 44059.6987 -222431.1633 160.2771 -266490.8620 -222093.6426 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
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ENERGY: 208 20293.2703 20371.8902 5718.1572 182.8654 -334789.2376 21322.2410 0.0000 0.0000 44428.6271 -222472.1864 161.6191 -266900.8135 -222122.6312 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 21385.1734 20194.2568 5705.3139 178.4614 -336615.7767 21385.1096 0.0000 0.0000 45251.4336 -222516.0280 164.6123 -267767.4615 -222108.2014 164.6123 -6091.3661 -2896.2627 921491.4634 -6091.3661 -2896.2627
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ENERGY: 212 23739.2710 19730.8222 5710.0295 176.0352 -336013.6229 21412.5984 0.0000 0.0000 42995.1639 -222249.7026 156.4046 -265244.8665 -222104.2319 156.4046 -4424.1002 -2820.3211 921491.4634 -4424.1002 -2820.3211
ENERGY: 213 20150.2161 19524.5249 5720.1722 175.9508 -334874.6446 21380.5553 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2254 -222097.3835 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
ENERGY: 214 17315.5530 19421.7449 5733.3059 176.6827 -333645.3939 21358.4486 0.0000 0.0000 46958.4703 -222681.1885 170.8220 -269639.6588 -222093.7407 170.8220 -143.6687 -2626.0579 921491.4634 -143.6687 -2626.0579
ENERGY: 215 18210.5057 19441.9744 5746.5772 178.1492 -332787.3326 21379.5597 0.0000 0.0000 45302.6746 -222527.8917 164.7987 -267830.5663 -222091.0447 164.7987 784.0013 -2554.0369 921491.4634 784.0013 -2554.0369
ENERGY: 216 20973.4719 19522.5062 5756.9571 180.1770 -332560.1063 21436.4837 0.0000 0.0000 42442.1787 -222248.3317 154.3930 -264690.5104 -222073.6155 154.3930 420.9900 -2541.5429 921491.4634 420.9900 -2541.5429
ENERGY: 217 21778.3868 19581.4820 5762.2416 182.5517 -333010.6758 21497.2706 0.0000 0.0000 41983.6750 -222225.0682 152.7251 -264208.7432 -222064.4463 152.7251 -882.1700 -2598.7244 921491.4634 -882.1700 -2598.7244
ENERGY: 218 20165.9156 19540.0890 5761.2415 184.9927 -333856.1147 21546.6561 0.0000 0.0000 44178.6837 -222478.5360 160.7099 -266657.2196 -222068.8154 160.7099 -2628.0652 -2703.9747 921491.4634 -2628.0652 -2703.9747
ENERGY: 219 19429.8639 19413.3931 5754.3577 187.2447 -334778.0707 21596.8809 0.0000 0.0000 45751.9298 -222644.4006 166.4329 -268396.3304 -222073.1719 166.4329 -4457.7331 -2810.5237 921491.4634 -4457.7331 -2810.5237
TIMING: 220 CPU: 104.94, 0.471181/step Wall: 104.94, 0.471181/step, 0.0366474 hours remaining, 3223.468750 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: 114.355, 0.47073/step Wall: 114.354, 0.47073/step, 0.0339972 hours remaining, 3223.468750 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 20878.5482 19853.7024 5716.8932 174.1558 -334213.1205 21705.0851 0.0000 0.0000 43600.4183 -222284.3176 158.6063 -265884.7358 -222067.4293 158.6063 -1173.7931 -2523.3912 921491.4634 -1173.7931 -2523.3912
ENERGY: 247 19868.5287 19979.6440 5712.7400 177.5412 -334802.1841 21719.8455 0.0000 0.0000 44912.1912 -222431.6934 163.3782 -267343.8847 -222068.1391 163.3782 -983.0001 -2552.5931 921491.4634 -983.0001 -2552.5931
ENERGY: 248 19035.4925 20164.4297 5713.8450 181.3144 -335623.1355 21746.4311 0.0000 0.0000 46185.9363 -222595.6865 168.0117 -268781.6228 -222090.3127 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 20013.1601 5733.2541 193.8023 -336093.2677 21826.9296 0.0000 0.0000 43905.3721 -222425.8454 159.7157 -266331.2175 -222091.3303 159.7157 -3843.4682 -2758.0339 921491.4634 -3843.4682 -2758.0339
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ENERGY: 256 20899.4411 18950.9578 5693.4518 195.6570 -332975.5973 21757.6848 0.0000 0.0000 43181.1613 -222297.2436 157.0812 -265478.4049 -222071.2738 157.0812 -2042.2410 -2664.5199 921491.4634 -2042.2410 -2664.5199
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TIMING: 260 CPU: 123.76, 0.470273/step Wall: 123.76, 0.470273/step, 0.0313515 hours remaining, 3223.773438 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 20140.5622 5703.8103 187.9445 -335614.9714 21924.4740 0.0000 0.0000 45349.7771 -222527.2804 164.9700 -267877.0575 -222051.1547 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2261 20436.4305 5710.6950 187.5052 -334855.9512 21907.7772 0.0000 0.0000 44751.4784 -222476.8387 162.7936 -267228.3171 -222069.1982 162.7936 -2191.1927 -2723.5293 921491.4634 -2191.1927 -2723.5293
ENERGY: 265 19946.8416 20681.9925 5713.6241 187.4392 -334395.6632 21906.0164 0.0000 0.0000 43607.6375 -222352.1119 158.6326 -265959.7494 -222054.3370 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7899 20788.8700 5712.1327 187.6137 -334399.4577 21914.4805 0.0000 0.0000 43399.3798 -222348.1910 157.8750 -265747.5708 -222054.3633 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0906 20691.2679 5707.0583 187.8501 -334831.4856 21930.8374 0.0000 0.0000 44220.2169 -222446.1644 160.8610 -266666.3813 -222055.6583 160.8610 -2435.4234 -2662.6782 921491.4634 -2435.4234 -2662.6782
ENERGY: 268 19962.9160 20375.7516 5700.1930 187.9286 -335513.7450 21959.1258 0.0000 0.0000 44823.5378 -222504.2922 163.0557 -267327.8300 -222075.9873 163.0557 -2903.2124 -2658.6180 921491.4634 -2903.2124 -2658.6180
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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 19450.9169 5690.3173 187.1618 -336650.6775 22028.8071 0.0000 0.0000 44308.0076 -222365.2736 161.1804 -266673.2812 -222067.0432 161.1804 -3583.3633 -2617.7582 921491.4634 -3583.3633 -2617.7582
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ENERGY: 272 21021.5585 18896.0662 5692.8269 184.9335 -335921.4617 22015.0580 0.0000 0.0000 45607.7077 -222503.3109 165.9083 -268111.0186 -222081.1571 165.9083 -2551.9684 -2501.8804 921491.4634 -2551.9684 -2501.8804
ENERGY: 273 20123.2138 18932.9081 5697.5118 183.8526 -334925.7015 21985.5297 0.0000 0.0000 45502.7162 -222499.9695 165.5264 -268002.6856 -222069.0458 165.5264 -1837.1976 -2434.6760 921491.4634 -1837.1976 -2434.6760
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ENERGY: 276 19401.8502 19594.7507 5701.2547 182.4904 -333292.1283 21971.0411 0.0000 0.0000 44028.5272 -222412.2140 160.1637 -266440.7412 -222072.9395 160.1637 -1580.1301 -2417.6041 921491.4634 -1580.1301 -2417.6041
ENERGY: 277 19149.2972 19724.7159 5695.5210 182.9396 -333864.3454 21997.2388 0.0000 0.0000 44632.8111 -222481.8218 162.3619 -267114.6329 -222061.0988 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4577 19713.7759 5686.9122 183.6585 -334821.1003 22041.3360 0.0000 0.0000 44532.2539 -222463.7061 161.9961 -266995.9600 -222063.4131 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
ENERGY: 279 21984.3649 19593.9430 5677.5176 184.5187 -335888.5800 22096.4200 0.0000 0.0000 43975.0879 -222376.7279 159.9693 -266351.8158 -222065.2023 159.9693 -4044.3213 -2682.8390 921491.4634 -4044.3213 -2682.8390
TIMING: 280 CPU: 133.158, 0.469887/step Wall: 133.158, 0.469887/step, 0.0287153 hours remaining, 3223.773438 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 22859.3230 19458.4366 5670.0026 185.3899 -336752.6630 22145.1355 0.0000 0.0000 44066.7337 -222367.6418 160.3027 -266434.3755 -222073.4246 160.3027 -4286.3893 -2748.0546 921491.4634 -4286.3893 -2748.0546
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ENERGY: 282 20943.7899 19615.5378 5669.9796 186.8360 -336942.5033 22176.7655 0.0000 0.0000 45823.3369 -222526.2576 166.6927 -268349.5946 -222063.3315 166.6927 -2992.3272 -2779.3668 921491.4634 -2992.3272 -2779.3668
ENERGY: 283 20432.1062 19966.6613 5678.8137 187.1634 -336251.9201 22171.0649 0.0000 0.0000 45328.8520 -222487.2586 164.8939 -267816.1105 -222060.8458 164.8939 -2008.7737 -2748.2306 921491.4634 -2008.7737 -2748.2306
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ENERGY: 285 20203.3288 20789.9629 5707.3564 186.7145 -334827.1964 22167.0166 0.0000 0.0000 43418.2631 -222354.5541 157.9437 -265772.8172 -222053.5963 157.9437 -1010.8438 -2700.0819 921491.4634 -1010.8438 -2700.0819
ENERGY: 286 19396.6310 20966.5623 5721.5031 185.8230 -334658.1147 22176.6864 0.0000 0.0000 43785.6881 -222425.2208 159.2803 -266210.9090 -222054.0578 159.2803 -1306.7502 -2717.2846 921491.4634 -1306.7502 -2717.2846
ENERGY: 287 19176.1191 20856.7824 5731.9346 184.4714 -334918.1478 22200.2911 0.0000 0.0000 44282.9437 -222485.6055 161.0892 -266768.5492 -222055.7249 161.0892 -2148.9612 -2753.3343 921491.4634 -2148.9612 -2753.3343
ENERGY: 288 20263.2088 20475.2853 5736.9557 182.7335 -335468.3148 22237.9038 0.0000 0.0000 44116.9903 -222455.2373 160.4855 -266572.2276 -222066.9051 160.4855 -3310.5879 -2790.1554 921491.4634 -3310.5879 -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 ============== 148.722
LDB: Largest compute 200 load 0.518777 is 1.1% of average load 45.686216
LDB: Average compute 0.063994 is 0.1% of average load 45.686216
LDB: TIME 148.724 LOAD: AVG 45.6862 MAX 47.0611 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.13 MB
LDB: TIME 148.724 LOAD: AVG 45.6862 MAX 47.0611 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.13 MB
LDB: TIME 148.74 LOAD: AVG 45.6862 MAX 46.209 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.13 MB
LDB: ============== END OF LOAD BALANCING =============== 148.741
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.743
Info: Initial time: 4 CPUs 0.47026 s/step 5.44283 days/ns 3224.13 MB memory
TIMING: 300 CPU: 142.564, 0.470305/step Wall: 142.564, 0.470305/step, 0.0261281 hours remaining, 3224.128906 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: 151.772, 0.460388/step Wall: 151.772, 0.460388/step, 0.0230194 hours remaining, 3224.128906 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: 160.975, 0.460152/step Wall: 160.975, 0.460152/step, 0.0204512 hours remaining, 3224.128906 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: 170.171, 0.459799/step Wall: 170.171, 0.459799/step, 0.0178811 hours remaining, 3224.128906 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 380 CPU: 179.361, 0.459514/step Wall: 179.361, 0.459514/step, 0.0153171 hours remaining, 3224.128906 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 19220.9465 5707.6637 175.9384 -334865.1820 22880.7955 0.0000 0.0000 44519.8588 -222378.7515 161.9510 -266898.6103 -222051.0437 161.9510 122.6669 -2011.2428 921491.4634 122.6669 -2011.2428
ENERGY: 387 20367.2862 19202.4845 5710.9354 174.6759 -335109.8727 22905.2741 0.0000 0.0000 44377.1817 -222372.0349 161.4320 -266749.2166 -222053.0050 161.4320 -738.9586 -2019.1689 921491.4634 -738.9586 -2019.1689
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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 ============== 194.734
LDB: Largest compute 230 load 0.522155 is 1.1% of average load 45.641252
LDB: Average compute 0.063921 is 0.1% of average load 45.641252
LDB: TIME 194.736 LOAD: AVG 45.6413 MAX 45.9915 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.13 MB
LDB: TIME 194.737 LOAD: AVG 45.6413 MAX 45.9915 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.13 MB
LDB: TIME 194.737 LOAD: AVG 45.6413 MAX 45.9915 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.13 MB
LDB: ============== END OF LOAD BALANCING =============== 194.737
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.738
Info: Benchmark time: 4 CPUs 0.459857 s/step 5.32242 days/ns 3224.13 MB memory
TIMING: 400 CPU: 188.554, 0.459634/step Wall: 188.554, 0.459634/step, 0.0127676 hours remaining, 3224.128906 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 19942.3170 20661.9896 5710.0857 195.6953 -336157.5864 23063.1718 0.0000 0.0000 44200.2849 -222384.0420 160.7885 -266584.3269 -222052.9643 160.7885 -282.7612 -2224.6896 921491.4634 -282.7612 -2224.6896
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ENERGY: 418 20154.6649 20457.0911 5705.5848 188.6536 -336970.7871 23098.6730 0.0000 0.0000 44915.1421 -222450.9777 163.3889 -267366.1198 -222046.7092 163.3889 -671.8545 -2269.9920 921491.4634 -671.8545 -2269.9920
ENERGY: 419 20790.7631 20185.5526 5700.4811 184.6054 -337717.8761 23139.8027 0.0000 0.0000 45250.3100 -222466.3612 164.6082 -267716.6712 -222049.5949 164.6082 -1783.9420 -2336.6463 921491.4634 -1783.9420 -2336.6463
TIMING: 420 CPU: 197.719, 0.458266/step Wall: 197.719, 0.458266/step, 0.0101837 hours remaining, 3224.128906 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: 425 19942.3362 19314.5610 5697.3263 169.6876 -335607.5211 23103.7925 0.0000 0.0000 44956.0480 -222423.7695 163.5377 -267379.8175 -222050.7960 163.5377 -1980.9650 -2297.0087 921491.4634 -1980.9650 -2297.0087
ENERGY: 426 19603.3347 19432.3071 5702.4947 169.0990 -335270.6882 23080.2897 0.0000 0.0000 44862.7385 -222420.4244 163.1983 -267283.1629 -222049.1087 163.1983 -1125.8048 -2237.7212 921491.4634 -1125.8048 -2237.7212
ENERGY: 427 19598.5317 19595.2900 5707.1504 168.7509 -335498.4325 23074.5012 0.0000 0.0000 44915.2775 -222438.9308 163.3894 -267354.2083 -222048.7335 163.3894 -741.9007 -2207.6352 921491.4634 -741.9007 -2207.6352
ENERGY: 428 20140.4229 19760.4171 5710.4629 168.5259 -336199.9859 23087.7682 0.0000 0.0000 44884.2594 -222448.1295 163.2766 -267332.3889 -222058.0548 163.2766 -935.5730 -2206.9582 921491.4634 -935.5730 -2206.9582
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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 -338096.9209 23149.4497 0.0000 0.0000 44626.3100 -222402.4405 162.3383 -267028.7505 -222047.3914 162.3383 -2472.2454 -2268.0463 921491.4634 -2472.2454 -2268.0463
ENERGY: 431 22204.1021 20111.4153 5711.2600 168.0704 -338644.7648 23172.3808 0.0000 0.0000 44858.4630 -222419.0731 163.1828 -267277.5361 -222048.7168 163.1828 -3116.2803 -2293.5589 921491.4634 -3116.2803 -2293.5589
ENERGY: 432 21768.3704 20188.6724 5710.3547 168.1086 -338651.2102 23176.0849 0.0000 0.0000 45177.9910 -222461.6282 164.3451 -267639.6192 -222065.9055 164.3451 -3350.2739 -2296.1495 921491.4634 -3350.2739 -2296.1495
ENERGY: 433 21200.9074 20275.9663 5710.3763 168.4633 -338164.0638 23162.2914 0.0000 0.0000 45192.9284 -222453.1308 164.3995 -267646.0592 -222052.5979 164.3995 -3187.3730 -2272.1274 921491.4634 -3187.3730 -2272.1274
ENERGY: 434 20730.3414 20338.1498 5711.6061 169.3247 -337394.2705 23140.7738 0.0000 0.0000 44883.0999 -222420.9748 163.2724 -267304.0747 -222051.1459 163.2724 -2694.3106 -2227.7883 921491.4634 -2694.3106 -2227.7883
ENERGY: 435 20235.2202 20362.4014 5714.0003 170.8455 -336680.6556 23123.4100 0.0000 0.0000 44675.9842 -222398.7941 162.5190 -267074.7783 -222049.5885 162.5190 -2061.3581 -2179.8949 921491.4634 -2061.3581 -2179.8949
ENERGY: 436 19670.9243 20349.9980 5717.2346 173.0864 -336303.8815 23119.9080 0.0000 0.0000 44847.0987 -222425.6315 163.1414 -267272.7302 -222059.6957 163.1414 -1520.6598 -2145.1616 921491.4634 -1520.6598 -2145.1616
ENERGY: 437 19434.5517 20329.5092 5720.9894 175.9827 -336411.9788 23136.3869 0.0000 0.0000 45159.2691 -222455.2899 164.2770 -267614.5589 -222050.7500 164.2770 -1319.1169 -2134.4848 921491.4634 -1319.1169 -2134.4848
ENERGY: 438 19935.1533 20278.6096 5724.6884 179.3848 -336899.4580 23173.5520 0.0000 0.0000 45148.1327 -222459.9371 164.2365 -267608.0699 -222051.5666 164.2365 -1493.0942 -2145.0881 921491.4634 -1493.0942 -2145.0881
ENERGY: 439 21052.7407 20184.4297 5727.7929 183.0561 -337561.7723 23224.7483 0.0000 0.0000 44760.8215 -222428.1830 162.8276 -267189.0046 -222052.7963 162.8276 -1936.1989 -2169.8747 921491.4634 -1936.1989 -2169.8747
TIMING: 440 CPU: 206.877, 0.457927/step Wall: 206.877, 0.457927/step, 0.00763211 hours remaining, 3224.128906 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 20036.2373 5729.7527 186.7201 -338123.1809 23276.2486 0.0000 0.0000 44417.5464 -222405.1075 161.5788 -266822.6539 -222059.4769 161.5788 -2408.4610 -2197.9670 921491.4634 -2408.4610 -2197.9670
ENERGY: 441 22355.5486 19860.0412 5730.3488 190.1145 -338361.1718 23313.2045 0.0000 0.0000 44502.6968 -222409.2175 161.8886 -266911.9142 -222050.0856 161.8886 -2716.1025 -2221.5312 921491.4634 -2716.1025 -2221.5312
ENERGY: 442 21853.6119 19664.5352 5729.4855 192.9411 -338090.1536 23327.1568 0.0000 0.0000 44880.6322 -222441.7909 163.2634 -267322.4231 -222049.7751 163.2634 -2710.5574 -2229.0695 921491.4634 -2710.5574 -2229.0695
ENERGY: 443 21064.3317 19487.0726 5727.6165 194.9329 -337369.3152 23320.0158 0.0000 0.0000 45118.1108 -222457.2350 164.1273 -267575.3458 -222048.5992 164.1273 -2448.1646 -2220.3529 921491.4634 -2448.1646 -2220.3529
ENERGY: 444 20449.3364 19357.2692 5725.4095 195.8735 -336464.1927 23301.5276 0.0000 0.0000 44987.7178 -222447.0587 163.6530 -267434.7764 -222057.9796 163.6530 -2090.2099 -2206.4399 921491.4634 -2090.2099 -2206.4399
ENERGY: 445 20125.5608 19307.2519 5723.6513 195.6942 -335759.3917 23283.8139 0.0000 0.0000 44708.7155 -222414.7040 162.6380 -267123.4195 -222046.5427 162.6380 -1846.9627 -2201.6925 921491.4634 -1846.9627 -2201.6925
ENERGY: 446 19947.6806 19324.9006 5722.5430 194.3235 -335494.5710 23276.0451 0.0000 0.0000 44620.2944 -222408.7837 162.3164 -267029.0782 -222046.1619 162.3164 -1800.7519 -2216.7293 921491.4634 -1800.7519 -2216.7293
ENERGY: 447 19914.2850 19416.0209 5722.2107 191.8641 -335769.4399 23282.7458 0.0000 0.0000 44816.5085 -222425.8048 163.0301 -267242.3133 -222046.8341 163.0301 -1993.3113 -2253.0602 921491.4634 -1993.3113 -2253.0602
ENERGY: 448 20187.5923 19583.6798 5722.5765 188.5554 -336503.1796 23303.8904 0.0000 0.0000 45065.6670 -222451.2183 163.9365 -267516.8853 -222059.3479 163.9365 -2372.1879 -2303.7898 921491.4634 -2372.1879 -2303.7898
ENERGY: 449 20877.4059 19832.6984 5723.5713 184.8596 -337500.9064 23334.5923 0.0000 0.0000 45101.1673 -222446.6117 164.0657 -267547.7790 -222047.7097 164.0657 -2827.1081 -2356.1407 921491.4634 -2827.1081 -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 21754.4852 20108.1297 5724.4776 181.0897 -338419.3240 23364.6243 0.0000 0.0000 44854.3090 -222432.2084 163.1676 -267286.5174 -222048.7858 163.1676 -3116.6755 -2394.3896 921491.4634 -3116.6755 -2394.3896
ENERGY: 451 22355.5901 20357.7253 5724.7144 177.6517 -338952.0897 23381.8007 0.0000 0.0000 44542.6978 -222411.9098 162.0341 -266954.6077 -222048.8244 162.0341 -3074.2531 -2405.7797 921491.4634 -3074.2531 -2405.7797
ENERGY: 452 22246.2014 20536.0132 5723.8953 174.8859 -338927.1528 23378.0944 0.0000 0.0000 44452.9186 -222415.1439 161.7075 -266868.0626 -222059.6370 161.7075 -2659.9605 -2384.7568 921491.4634 -2659.9605 -2384.7568
ENERGY: 453 21399.8726 20641.1309 5722.2879 173.1350 -338392.7925 23354.5908 0.0000 0.0000 44683.7024 -222418.0730 162.5470 -267101.7753 -222043.5371 162.5470 -2048.3338 -2342.4668 921491.4634 -2048.3338 -2342.4668
ENERGY: 454 20248.3380 20654.1373 5720.2217 172.3637 -337567.1407 23320.6902 0.0000 0.0000 45008.1456 -222443.2442 163.7273 -267451.3898 -222041.8391 163.7273 -1453.4579 -2293.1451 921491.4634 -1453.4579 -2293.1451
ENERGY: 455 19486.7905 20584.7120 5718.4844 172.5169 -336790.6446 23290.4023 0.0000 0.0000 45086.5781 -222451.1603 164.0126 -267537.7384 -222040.8570 164.0126 -1151.8825 -2255.8572 921491.4634 -1151.8825 -2255.8572
ENERGY: 456 19493.3721 20440.6801 5717.7556 173.4248 -336350.1071 23274.9631 0.0000 0.0000 44811.4719 -222438.4395 163.0118 -267249.9114 -222055.3486 163.0118 -1305.5005 -2245.5823 921491.4634 -1305.5005 -2245.5823
ENERGY: 457 20047.4929 20251.9436 5718.5580 174.9241 -336395.8162 23277.8274 0.0000 0.0000 44521.8699 -222403.2002 161.9583 -266925.0701 -222049.4132 161.9583 -1906.4166 -2263.5013 921491.4634 -1906.4166 -2263.5013
ENERGY: 458 20585.8435 20019.2725 5720.7061 176.6081 -336835.0958 23294.7172 0.0000 0.0000 44632.7885 -222405.1599 162.3618 -267037.9484 -222051.2822 162.3618 -2684.6989 -2301.0427 921491.4634 -2684.6989 -2301.0427
ENERGY: 459 20903.4945 19784.9692 5724.0022 178.1985 -337468.1643 23318.6982 0.0000 0.0000 45113.9366 -222444.8652 164.1121 -267558.8019 -222053.1411 164.1121 -3350.5833 -2341.5797 921491.4634 -3350.5833 -2341.5797
TIMING: 460 CPU: 216.02, 0.457122/step Wall: 216.02, 0.457122/step, 0.00507913 hours remaining, 3224.128906 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 19597.9066 5728.0972 179.4910 -338014.3766 23341.8000 0.0000 0.0000 45423.8567 -222480.6114 165.2395 -267904.4681 -222064.6834 165.2395 -3669.8202 -2365.2413 921491.4634 -3669.8202 -2365.2413
ENERGY: 461 21862.8762 19507.1079 5732.5753 180.4333 -338251.6216 23355.3933 0.0000 0.0000 45154.6140 -222458.6217 164.2601 -267613.2357 -222058.0504 164.2601 -3556.1666 -2361.1800 921491.4634 -3556.1666 -2361.1800
ENERGY: 462 22264.2255 19487.8113 5736.4823 180.9531 -337988.7171 23351.1084 0.0000 0.0000 44559.9294 -222408.2072 162.0968 -266968.1366 -222056.7212 162.0968 -2954.8200 -2323.4251 921491.4634 -2954.8200 -2323.4251
ENERGY: 463 21821.1791 19513.9020 5738.9361 181.1160 -337284.1031 23326.9474 0.0000 0.0000 44313.4574 -222388.5650 161.2002 -266702.0224 -222054.6240 161.2002 -2012.4424 -2264.0779 921491.4634 -2012.4424 -2264.0779
ENERGY: 464 20535.2460 19559.9276 5739.2519 181.0096 -336389.3847 23291.1938 0.0000 0.0000 44654.0272 -222428.7286 162.4391 -267082.7558 -222058.5731 162.4391 -1050.9229 -2205.5270 921491.4634 -1050.9229 -2205.5270
ENERGY: 465 19322.7828 19631.8858 5737.2899 180.7155 -335701.1541 23259.7387 0.0000 0.0000 45094.5693 -222474.1721 164.0416 -267568.7414 -222052.9390 164.0416 -512.3349 -2174.4010 921491.4634 -512.3349 -2174.4010
ENERGY: 466 19088.4512 19708.3584 5733.2107 180.2808 -335443.7732 23245.0599 0.0000 0.0000 45020.7914 -222467.6208 163.7733 -267488.4122 -222052.9787 163.7733 -630.3317 -2182.6713 921491.4634 -630.3317 -2182.6713
ENERGY: 467 19841.8071 19783.1744 5727.6704 179.7757 -335721.0957 23249.4525 0.0000 0.0000 44523.6671 -222415.5484 161.9649 -266939.2155 -222054.3497 161.9649 -1393.6033 -2232.5926 921491.4634 -1393.6033 -2232.5926
ENERGY: 468 20761.8483 19845.4943 5721.5090 179.2779 -336451.5667 23265.8120 0.0000 0.0000 44291.6592 -222385.9661 161.1209 -266677.6253 -222056.3589 161.1209 -2508.6716 -2314.1341 921491.4634 -2508.6716 -2314.1341
ENERGY: 469 21236.3016 19910.2021 5715.6824 178.8504 -337458.3201 23284.3956 0.0000 0.0000 44720.3210 -222412.5670 162.6802 -267132.8880 -222046.0748 162.6802 -3596.7408 -2405.7974 921491.4634 -3596.7408 -2405.7974
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1731 19972.8933 5710.9492 178.5947 -338383.2505 23297.0667 0.0000 0.0000 45346.4581 -222466.1154 164.9580 -267812.5736 -222047.6086 164.9580 -4259.6997 -2477.6832 921491.4634 -4259.6997 -2477.6832
ENERGY: 471 21732.8678 20054.6834 5707.9627 178.5890 -338913.2448 23297.5079 0.0000 0.0000 45471.3372 -222470.2968 165.4122 -267941.6340 -222047.5357 165.4122 -4290.5684 -2504.3176 921491.4634 -4290.5684 -2504.3176
ENERGY: 472 22081.2361 20161.5550 5707.0091 178.9047 -338870.6764 23279.4486 0.0000 0.0000 45028.5301 -222433.9928 163.8014 -267462.5229 -222059.5057 163.8014 -3659.7361 -2479.9185 921491.4634 -3659.7361 -2479.9185
ENERGY: 473 21866.1362 20289.3424 5707.9843 179.6165 -338307.7187 23240.7358 0.0000 0.0000 44634.5178 -222389.3857 162.3681 -267023.9035 -222043.8538 162.3681 -2556.3616 -2408.1659 921491.4634 -2556.3616 -2408.1659
ENERGY: 474 20842.9703 20372.0983 5710.2161 180.7466 -337438.4547 23189.2343 0.0000 0.0000 44733.2311 -222409.9580 162.7272 -267143.1891 -222041.2618 162.7272 -1295.5526 -2316.2730 921491.4634 -1295.5526 -2316.2730
ENERGY: 475 19674.2079 20371.7671 5712.9876 182.2512 -336604.2307 23142.3813 0.0000 0.0000 45070.2141 -222450.4215 163.9531 -267520.6356 -222039.4528 163.9531 -344.6451 -2232.2127 921491.4634 -344.6451 -2232.2127
ENERGY: 476 19235.7862 20282.0271 5715.7683 184.0125 -336100.0898 23115.8462 0.0000 0.0000 45106.0635 -222460.5860 164.0835 -267566.6495 -222053.6137 164.0835 -92.4051 -2183.0654 921491.4634 -92.4051 -2183.0654
ENERGY: 477 19704.7251 20145.9810 5718.4976 185.9230 -336101.8786 23114.2935 0.0000 0.0000 44812.3209 -222420.1373 163.0149 -267232.4582 -222044.8410 163.0149 -667.4948 -2171.8230 921491.4634 -667.4948 -2171.8230
ENERGY: 478 20493.4778 19974.7636 5721.0254 187.7262 -336537.4034 23131.2456 0.0000 0.0000 44627.0334 -222402.1313 162.3409 -267029.1647 -222047.4106 162.3409 -1807.1607 -2198.7958 921491.4634 -1807.1607 -2198.7958
ENERGY: 479 21125.3059 19793.3955 5723.3295 189.2099 -337215.5836 23156.6768 0.0000 0.0000 44802.1579 -222425.5082 162.9779 -267227.6661 -222050.5459 162.9779 -3089.8518 -2246.7919 921491.4634 -3089.8518 -2246.7919
TIMING: 480 CPU: 225.157, 0.45684/step Wall: 225.157, 0.45684/step, 0.002538 hours remaining, 3224.128906 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0329 19623.1964 5725.3111 190.1900 -337854.6787 23181.5115 0.0000 0.0000 45051.6815 -222458.7553 163.8856 -267510.4368 -222064.6212 163.8856 -4077.7331 -2291.4896 921491.4634 -4077.7331 -2291.4896
ENERGY: 481 22092.4855 19510.0434 5727.0953 190.6351 -338199.2482 23196.7956 0.0000 0.0000 45041.3368 -222440.8565 163.8480 -267482.1933 -222052.5268 163.8480 -4466.2398 -2305.6737 921491.4634 -4466.2398 -2305.6737
ENERGY: 482 22186.3468 19466.6796 5728.4964 190.3598 -338044.5420 23192.7472 0.0000 0.0000 44865.8520 -222414.0603 163.2096 -267279.9122 -222051.4115 163.2096 -4059.3101 -2278.0620 921491.4634 -4059.3101 -2278.0620
ENERGY: 483 21553.1413 19511.5747 5729.5660 189.3226 -337426.2187 23165.8738 0.0000 0.0000 44861.8970 -222414.8432 163.1953 -267276.7402 -222048.7674 163.1953 -2964.1726 -2216.4121 921491.4634 -2964.1726 -2216.4121
ENERGY: 484 20460.8925 19631.1942 5730.2465 187.5455 -336590.8882 23126.1350 0.0000 0.0000 45003.6032 -222451.2715 163.7107 -267454.8747 -222059.8740 163.7107 -1565.2426 -2143.1851 921491.4634 -1565.2426 -2143.1851
ENERGY: 485 19688.7721 19800.2993 5730.5256 185.2458 -335902.5864 23092.8469 0.0000 0.0000 44955.5724 -222449.3243 163.5360 -267404.8968 -222045.9603 163.5360 -422.1571 -2086.8737 921491.4634 -422.1571 -2086.8737
ENERGY: 486 19602.5428 19954.8178 5729.7198 182.4662 -335612.3567 23080.3807 0.0000 0.0000 44645.9116 -222416.5179 162.4096 -267062.4295 -222044.6758 162.4096 87.3179 -2070.0983 921491.4634 87.3179 -2070.0983
ENERGY: 487 19881.0927 20072.0214 5727.4347 179.4360 -335846.4482 23091.0544 0.0000 0.0000 44503.3493 -222392.0597 161.8910 -266895.4090 -222045.2404 161.8910 -192.2349 -2106.8842 921491.4634 -192.2349 -2106.8842
ENERGY: 488 20125.2100 20156.1362 5723.5441 176.4338 -336552.5454 23118.8616 0.0000 0.0000 44827.0557 -222425.3040 163.0685 -267252.3597 -222057.1937 163.0685 -1145.7536 -2194.6682 921491.4634 -1145.7536 -2194.6682
ENERGY: 489 20526.8873 20236.4609 5718.5749 173.8639 -337540.4658 23156.7311 0.0000 0.0000 45266.1005 -222461.8472 164.6656 -267727.9477 -222045.6084 164.6656 -2511.2407 -2316.7068 921491.4634 -2511.2407 -2316.7068
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7492 20292.9022 5712.8912 171.8438 -338458.1363 23196.4878 0.0000 0.0000 45213.5629 -222459.6992 164.4745 -267673.2621 -222048.2206 164.4745 -3823.4040 -2437.4156 921491.4634 -3823.4040 -2437.4156
ENERGY: 491 22430.4642 20312.1361 5707.3795 170.5404 -338984.5795 23226.0938 0.0000 0.0000 44733.0087 -222404.9567 162.7264 -267137.9655 -222049.4637 162.7264 -4629.6935 -2524.6216 921491.4634 -4629.6935 -2524.6216
ENERGY: 492 22612.9548 20289.6811 5702.9944 170.0208 -338937.5816 23232.7207 0.0000 0.0000 44542.1948 -222387.0150 162.0323 -266929.2099 -222060.3860 162.0323 -4606.8525 -2557.4731 921491.4634 -4606.8525 -2557.4731
ENERGY: 493 21558.2187 20260.7375 5700.7779 170.3200 -338358.0633 23214.0539 0.0000 0.0000 45033.8227 -222420.1326 163.8207 -267453.9553 -222046.5900 163.8207 -3796.3819 -2540.0997 921491.4634 -3796.3819 -2540.0997
ENERGY: 494 20068.3364 20225.0262 5700.9806 171.2193 -337454.3834 23183.0798 0.0000 0.0000 45622.2473 -222483.4939 165.9612 -268105.7412 -222044.0867 165.9612 -2500.8992 -2482.1069 921491.4634 -2500.8992 -2482.1069
ENERGY: 495 19383.2461 20186.8301 5703.5926 172.5416 -336566.9886 23159.4628 0.0000 0.0000 45484.1229 -222477.1925 165.4587 -267961.3154 -222041.5563 165.4587 -1249.6837 -2407.3056 921491.4634 -1249.6837 -2407.3056
ENERGY: 496 19722.4833 20130.6473 5708.0350 174.0933 -335998.7157 23154.2639 0.0000 0.0000 44699.5268 -222409.6660 162.6046 -267109.1928 -222049.0670 162.6046 -478.8998 -2343.4750 921491.4634 -478.8998 -2343.4750
ENERGY: 497 20212.6668 20059.9177 5713.4613 175.7242 -335952.5046 23166.3549 0.0000 0.0000 44261.0286 -222363.3511 161.0095 -266624.3797 -222042.7501 161.0095 -421.0232 -2316.7928 921491.4634 -421.0232 -2316.7928
ENERGY: 498 20182.0165 19957.1217 5718.5597 177.2604 -336366.4939 23189.3590 0.0000 0.0000 44728.2533 -222413.9234 162.7091 -267142.1767 -222044.5220 162.7091 -993.4679 -2331.6472 921491.4634 -993.4679 -2331.6472
ENERGY: 499 20158.0680 19847.7311 5722.4090 178.6361 -337058.4832 23219.2409 0.0000 0.0000 45439.2642 -222493.1340 165.2956 -267932.3982 -222047.2063 165.2956 -2020.8687 -2376.3390 921491.4634 -2020.8687 -2376.3390
Info: Benchmark time: 4 CPUs 0.456696 s/step 5.28583 days/ns 3224.13 MB memory
TIMING: 500 CPU: 234.223, 0.453334/step Wall: 234.223, 0.453334/step, 0 hours remaining, 3224.128906 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 20974.8939 19756.6587 5724.4523 179.8271 -337741.4202 23251.1014 0.0000 0.0000 45359.0774 -222495.4092 165.0039 -267854.4867 -222061.0910 165.0039 -3197.5166 -2425.4140 921491.4634 -3197.5166 -2425.4140
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, 3229.422 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.422 MB of memory in use
====================================================
WallClock: 241.293732 CPUTime: 241.293732 Memory: 3229.421875 MB
[Partition 0][Node 0] End of program
Application 1109859 resources: utime ~948s, stime ~19s, Rss ~126976, inblocks ~66551, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.293732
CPU=241.293732
MEM=3229.421875
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 14 06:50 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 14 06:50 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 14 06:50 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 14 06:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189481 Dec 14 06:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505293 Dec 14 06:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 14 06:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 14 06:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 14 06:22 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 14 06:22 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 14 06:22 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 14 06:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 14 06:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 14 06:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 14 06:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 14 06:21 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/jenkins9158251879500326240.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}
