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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 ============== 54.6736
LDB: Largest compute 200 load 0.428675 is 1.2% of average load 36.843176
LDB: Average compute 0.051610 is 0.1% of average load 36.843176
LDB: Partitioning computes with target load 3.684318
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.056086
LDB: ============== END OF LOAD BALANCING =============== 54.6759
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.6767
Info: Initial time: 4 CPUs 0.473876 s/step 5.48467 days/ns 3221.53 MB memory
TIMING: 100 CPU: 48.3584, 0.472875/step Wall: 48.3584, 0.472875/step, 0.0525416 hours remaining, 3221.531250 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 ============== 64.1167
LDB: ============== END OF LOAD BALANCING =============== 64.1168
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.1172
TIMING: 120 CPU: 57.7958, 0.47187/step Wall: 57.7957, 0.471869/step, 0.0498084 hours remaining, 3221.671875 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 140 CPU: 67.23, 0.471711/step Wall: 67.23, 0.471711/step, 0.0471711 hours remaining, 3221.984375 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: 76.6521, 0.471105/step Wall: 76.6521, 0.471105/step, 0.0444933 hours remaining, 3222.273438 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: 86.0605, 0.470423/step Wall: 86.0605, 0.470423/step, 0.0418154 hours remaining, 3222.273438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 186 19266.0404 19234.9570 5686.4352 181.9571 -332240.0935 21043.7459 0.0000 0.0000 44391.5887 -222435.3692 161.4844 -266826.9579 -222129.2889 161.4844 -2596.4731 -2731.4263 921491.4634 -2596.4731 -2731.4263
ENERGY: 187 22073.2966 19471.4302 5678.7398 184.6336 -333156.1124 21076.9264 0.0000 0.0000 42449.0056 -222222.0802 154.4178 -264671.0858 -222130.9081 154.4178 -3641.8535 -2802.0866 921491.4634 -3641.8535 -2802.0866
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 197 21700.3668 19122.7580 5714.1451 184.7200 -332668.2730 21129.4588 0.0000 0.0000 42574.3655 -222242.4589 154.8738 -264816.8244 -222086.7181 154.8738 -3040.7435 -2596.5494 921491.4634 -3040.7435 -2596.5494
ENERGY: 198 21224.0060 18800.3005 5711.3574 186.3640 -333385.4997 21161.1533 0.0000 0.0000 43911.2863 -222391.0322 159.7372 -266302.3185 -222090.4393 159.7372 -4381.6807 -2646.7679 921491.4634 -4381.6807 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.794
LDB: Largest compute 200 load 0.424124 is 1.2% of average load 36.665517
LDB: Average compute 0.051356 is 0.1% of average load 36.665517
LDB: TIME 101.796 LOAD: AVG 36.6655 MAX 37.6769 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.65 MB
LDB: TIME 101.798 LOAD: AVG 36.6655 MAX 37.6473 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.65 MB
LDB: ============== END OF LOAD BALANCING =============== 101.8
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.803
Info: Initial time: 4 CPUs 0.471082 s/step 5.45234 days/ns 3223.68 MB memory
TIMING: 200 CPU: 95.4765, 0.470799/step Wall: 95.4765, 0.470799/step, 0.0392333 hours remaining, 3223.683594 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 19130.0390 5729.2400 192.0764 -333501.9374 21215.8254 0.0000 0.0000 44059.6984 -222431.1636 160.2771 -266490.8620 -222093.6429 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6124 19486.9556 5734.1463 191.2124 -332722.2201 21188.8403 0.0000 0.0000 45629.4717 -222628.9813 165.9875 -268258.4530 -222116.7006 165.9875 452.9933 -2462.2929 921491.4634 452.9933 -2462.2929
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ENERGY: 208 20293.2702 20371.8902 5718.1572 182.8654 -334789.2376 21322.2410 0.0000 0.0000 44428.6269 -222472.1867 161.6191 -266900.8136 -222122.6316 161.6191 -3669.0642 -2719.7952 921491.4634 -3669.0642 -2719.7952
ENERGY: 209 19428.8171 20325.0058 5710.3389 180.5135 -335910.2413 21349.5045 0.0000 0.0000 46273.6800 -222642.3816 168.3309 -268916.0616 -222106.7901 168.3309 -5197.7274 -2836.6306 921491.4634 -5197.7274 -2836.6306
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: 212 23739.2710 19730.8223 5710.0295 176.0352 -336013.6229 21412.5984 0.0000 0.0000 42995.1636 -222249.7029 156.4046 -265244.8665 -222104.2321 156.4046 -4424.1003 -2820.3211 921491.4634 -4424.1003 -2820.3211
ENERGY: 213 20150.2161 19524.5249 5720.1722 175.9508 -334874.6445 21380.5553 0.0000 0.0000 45418.7803 -222504.4449 165.2210 -267923.2252 -222097.3837 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
ENERGY: 214 17315.5528 19421.7448 5733.3059 176.6827 -333645.3937 21358.4486 0.0000 0.0000 46958.4701 -222681.1887 170.8220 -269639.6588 -222093.7409 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5054 19441.9743 5746.5772 178.1492 -332787.3323 21379.5597 0.0000 0.0000 45302.6746 -222527.8919 164.7987 -267830.5665 -222091.0449 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4715 19522.5061 5756.9571 180.1770 -332560.1062 21436.4837 0.0000 0.0000 42442.1788 -222248.3321 154.3930 -264690.5109 -222073.6159 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3866 19581.4819 5762.2416 182.5517 -333010.6759 21497.2707 0.0000 0.0000 41983.6750 -222225.0686 152.7251 -264208.7435 -222064.4467 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9157 19540.0890 5761.2415 184.9927 -333856.1149 21546.6562 0.0000 0.0000 44178.6834 -222478.5364 160.7099 -266657.2198 -222068.8158 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
ENERGY: 219 19429.8640 19413.3931 5754.3577 187.2447 -334778.0711 21596.8810 0.0000 0.0000 45751.9296 -222644.4010 166.4329 -268396.3306 -222073.1723 166.4329 -4457.7333 -2810.5237 921491.4634 -4457.7333 -2810.5237
TIMING: 220 CPU: 104.926, 0.472493/step Wall: 104.926, 0.472493/step, 0.0367494 hours remaining, 3223.683594 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: 114.369, 0.472137/step Wall: 114.369, 0.472137/step, 0.0340988 hours remaining, 3223.683594 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 20878.5480 19853.7025 5716.8932 174.1558 -334213.1207 21705.0851 0.0000 0.0000 43600.4182 -222284.3180 158.6063 -265884.7361 -222067.4297 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5286 19979.6441 5712.7400 177.5412 -334802.1843 21719.8455 0.0000 0.0000 44912.1910 -222431.6938 163.3782 -267343.8849 -222068.1395 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4925 20164.4297 5713.8450 181.3144 -335623.1354 21746.4311 0.0000 0.0000 46185.9360 -222595.6866 168.0117 -268781.6227 -222090.3128 168.0117 -1359.1246 -2608.3065 921491.4634 -1359.1246 -2608.3065
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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: 256 20899.4409 18950.9578 5693.4518 195.6570 -332975.5973 21757.6848 0.0000 0.0000 43181.1611 -222297.2439 157.0812 -265478.4050 -222071.2741 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
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TIMING: 260 CPU: 123.803, 0.471675/step Wall: 123.803, 0.471675/step, 0.031445 hours remaining, 3223.988281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 263 19781.1228 20140.5621 5703.8103 187.9445 -335614.9712 21924.4741 0.0000 0.0000 45349.7771 -222527.2804 164.9700 -267877.0574 -222051.1547 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2259 20436.4305 5710.6950 187.5052 -334855.9513 21907.7773 0.0000 0.0000 44751.4783 -222476.8391 162.7936 -267228.3174 -222069.1985 162.7936 -2191.1927 -2723.5293 921491.4634 -2191.1927 -2723.5293
ENERGY: 265 19946.8415 20681.9925 5713.6242 187.4392 -334395.6634 21906.0164 0.0000 0.0000 43607.6373 -222352.1123 158.6326 -265959.7496 -222054.3374 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7899 20788.8701 5712.1327 187.6137 -334399.4579 21914.4806 0.0000 0.0000 43399.3795 -222348.1914 157.8750 -265747.5709 -222054.3636 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0905 20691.2679 5707.0583 187.8501 -334831.4857 21930.8375 0.0000 0.0000 44220.2167 -222446.1648 160.8610 -266666.3814 -222055.6586 160.8610 -2435.4234 -2662.6782 921491.4634 -2435.4234 -2662.6782
ENERGY: 268 19962.9159 20375.7516 5700.1930 187.9286 -335513.7450 21959.1258 0.0000 0.0000 44823.5376 -222504.2926 163.0557 -267327.8301 -222075.9877 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 22620.1931 19450.9167 5690.3173 187.1618 -336650.6775 22028.8071 0.0000 0.0000 44308.0075 -222365.2740 161.1804 -266673.2815 -222067.0436 161.1804 -3583.3633 -2617.7582 921491.4634 -3583.3633 -2617.7582
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ENERGY: 272 21021.5584 18896.0661 5692.8269 184.9335 -335921.4614 22015.0581 0.0000 0.0000 45607.7075 -222503.3111 165.9083 -268111.0185 -222081.1572 165.9083 -2551.9684 -2501.8804 921491.4634 -2551.9684 -2501.8804
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7012 21985.5297 0.0000 0.0000 45502.7159 -222499.9696 165.5264 -268002.6855 -222069.0460 165.5264 -1837.1976 -2434.6760 921491.4634 -1837.1976 -2434.6760
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ENERGY: 276 19401.8501 19594.7509 5701.2547 182.4904 -333292.1282 21971.0411 0.0000 0.0000 44028.5269 -222412.2142 160.1637 -266440.7411 -222072.9397 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2971 19724.7160 5695.5210 182.9396 -333864.3454 21997.2388 0.0000 0.0000 44632.8109 -222481.8220 162.3619 -267114.6328 -222061.0990 162.3619 -2311.7544 -2498.0545 921491.4634 -2311.7544 -2498.0545
ENERGY: 278 20199.4575 19713.7760 5686.9122 183.6585 -334821.1004 22041.3360 0.0000 0.0000 44532.2538 -222463.7063 161.9961 -266995.9602 -222063.4133 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3647 19593.9430 5677.5176 184.5187 -335888.5801 22096.4200 0.0000 0.0000 43975.0879 -222376.7281 159.9693 -266351.8160 -222065.2026 159.9693 -4044.3212 -2682.8389 921491.4634 -4044.3212 -2682.8389
TIMING: 280 CPU: 133.221, 0.47092/step Wall: 133.221, 0.47092/step, 0.0287784 hours remaining, 3223.988281 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 22859.3228 19458.4365 5670.0026 185.3899 -336752.6631 22145.1355 0.0000 0.0000 44066.7338 -222367.6419 160.3027 -266434.3757 -222073.4247 160.3027 -4286.3892 -2748.0546 921491.4634 -4286.3892 -2748.0546
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ENERGY: 282 20943.7898 19615.5378 5669.9796 186.8360 -336942.5033 22176.7656 0.0000 0.0000 45823.3368 -222526.2578 166.6927 -268349.5946 -222063.3316 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
ENERGY: 283 20432.1061 19966.6614 5678.8137 187.1634 -336251.9201 22171.0650 0.0000 0.0000 45328.8518 -222487.2587 164.8939 -267816.1105 -222060.8460 164.8939 -2008.7737 -2748.2306 921491.4634 -2008.7737 -2748.2306
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ENERGY: 285 20203.3287 20789.9629 5707.3564 186.7145 -334827.1967 22167.0167 0.0000 0.0000 43418.2629 -222354.5546 157.9437 -265772.8175 -222053.5968 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6308 20966.5622 5721.5031 185.8230 -334658.1149 22176.6864 0.0000 0.0000 43785.6880 -222425.2213 159.2803 -266210.9093 -222054.0583 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1189 20856.7823 5731.9346 184.4714 -334918.1480 22200.2911 0.0000 0.0000 44282.9436 -222485.6060 161.0892 -266768.5497 -222055.7254 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2087 20475.2851 5736.9557 182.7335 -335468.3147 22237.9038 0.0000 0.0000 44116.9903 -222455.2375 160.4855 -266572.2279 -222066.9053 160.4855 -3310.5877 -2790.1553 921491.4634 -3310.5877 -2790.1553
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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: 290 22615.9843 19325.5266 5730.3279 178.6973 -336571.4572 22308.2175 0.0000 0.0000 44027.4234 -222385.2802 160.1597 -266412.7036 -222063.4684 160.1597 -4815.3285 -2796.0389 921491.4634 -4815.3285 -2796.0389
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LDB: ============= START OF LOAD BALANCING ============== 148.976
LDB: Largest compute 200 load 0.520541 is 1.1% of average load 45.742363
LDB: Average compute 0.064079 is 0.1% of average load 45.742363
LDB: TIME 148.978 LOAD: AVG 45.7424 MAX 47.1731 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.19 MB
LDB: TIME 148.979 LOAD: AVG 45.7424 MAX 47.1731 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.19 MB
LDB: TIME 148.99 LOAD: AVG 45.7424 MAX 46.2662 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.19 MB
LDB: ============== END OF LOAD BALANCING =============== 148.991
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.992
Info: Initial time: 4 CPUs 0.471444 s/step 5.45653 days/ns 3224.19 MB memory
TIMING: 300 CPU: 142.637, 0.470813/step Wall: 142.637, 0.470813/step, 0.0261563 hours remaining, 3224.187500 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: 151.875, 0.461883/step Wall: 151.875, 0.461883/step, 0.0230941 hours remaining, 3224.187500 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: 322 22179.0069 20957.0456 5696.1855 180.4970 -337965.9626 22565.0703 0.0000 0.0000 43989.5236 -222398.6337 160.0218 -266388.1573 -222063.6576 160.0218 -4596.8830 -2640.5012 921491.4634 -4596.8830 -2640.5012
ENERGY: 323 21976.7005 21085.8079 5695.4506 181.8003 -337194.0742 22550.8103 0.0000 0.0000 43361.4900 -222342.0146 157.7372 -265703.5046 -222061.4465 157.7372 -3808.3606 -2616.6943 921491.4634 -3808.3606 -2616.6943
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ENERGY: 325 19096.1752 20584.7377 5683.7433 184.8442 -335297.0511 22494.0544 0.0000 0.0000 44763.3953 -222490.1012 162.8369 -267253.4964 -222060.9514 162.8369 -1264.0245 -2529.6546 921491.4634 -1264.0245 -2529.6546
ENERGY: 326 18959.6360 20052.8004 5675.9627 186.2078 -334820.0103 22490.4169 0.0000 0.0000 44971.8221 -222483.1644 163.5951 -267454.9865 -222059.6110 163.5951 -572.2141 -2503.0558 921491.4634 -572.2141 -2503.0558
ENERGY: 327 20020.7819 19506.2795 5669.7116 187.2139 -334851.2529 22513.0145 0.0000 0.0000 44550.7424 -222403.5091 162.0634 -266954.2515 -222059.8762 162.0634 -657.4990 -2506.5013 921491.4634 -657.4990 -2506.5013
ENERGY: 328 20934.1977 19092.0093 5666.7484 187.7399 -335303.4711 22549.7453 0.0000 0.0000 44493.2354 -222379.7951 161.8542 -266873.0305 -222061.7262 161.8542 -1393.2037 -2547.3519 921491.4634 -1393.2037 -2547.3519
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 336 19127.9133 19639.0993 5698.6022 180.2744 -334271.7854 22519.6998 0.0000 0.0000 44649.6648 -222456.5317 162.4232 -267106.1964 -222055.6202 162.4232 -1093.5004 -2488.8702 921491.4634 -1093.5004 -2488.8702
ENERGY: 337 20420.1632 19649.7061 5693.3319 179.7347 -334824.3555 22536.4223 0.0000 0.0000 43995.5997 -222349.3977 160.0439 -266344.9974 -222040.1026 160.0439 -1064.7181 -2460.5859 921491.4634 -1064.7181 -2460.5859
ENERGY: 338 21007.5744 19722.4641 5687.5590 179.5437 -335808.8617 22564.1945 0.0000 0.0000 44285.9171 -222361.6089 161.1000 -266647.5260 -222041.5959 161.1000 -1500.9497 -2462.8575 921491.4634 -1500.9497 -2462.8575
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TIMING: 340 CPU: 161.106, 0.461535/step Wall: 161.106, 0.461535/step, 0.0205126 hours remaining, 3224.187500 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: 344 19898.5080 20447.2067 5699.9573 182.0106 -336095.2679 22596.5929 0.0000 0.0000 44790.9363 -222480.0561 162.9371 -267270.9924 -222071.3580 162.9371 -2338.1161 -2329.7492 921491.4634 -2338.1161 -2329.7492
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ENERGY: 346 19350.9888 19892.9543 5701.0894 182.7368 -334783.0724 22565.1337 0.0000 0.0000 44652.5019 -222437.6674 162.4335 -267090.1693 -222056.8257 162.4335 -1239.3021 -2211.7781 921491.4634 -1239.3021 -2211.7781
ENERGY: 347 20669.8293 19583.9411 5696.3949 182.8447 -334881.4388 22581.1983 0.0000 0.0000 43831.1328 -222336.0977 159.4456 -266167.2305 -222056.9475 159.4456 -1358.8144 -2194.9212 921491.4634 -1358.8144 -2194.9212
ENERGY: 348 21062.2469 19315.9904 5689.3479 182.7918 -335425.6673 22604.2202 0.0000 0.0000 44195.9877 -222375.0824 160.7729 -266571.0700 -222064.0951 160.7729 -1766.2765 -2218.9157 921491.4634 -1766.2765 -2218.9157
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 350 21009.3451 19066.8677 5675.7227 182.5405 -336836.8362 22661.9755 0.0000 0.0000 45710.0737 -222530.3110 166.2807 -268240.3847 -222058.0881 166.2807 -2896.5509 -2326.8867 921491.4634 -2896.5509 -2326.8867
ENERGY: 351 22235.3180 19085.8716 5672.3994 182.3762 -337072.3454 22693.2958 0.0000 0.0000 44770.4137 -222432.6708 162.8625 -267203.0846 -222058.6360 162.8625 -3254.0187 -2369.0507 921491.4634 -3254.0187 -2369.0507
ENERGY: 352 22912.9249 19180.1283 5672.7329 182.2243 -336794.7862 22708.6920 0.0000 0.0000 43795.3994 -222342.6844 159.3156 -266138.0837 -222059.3900 159.3156 -3190.0138 -2394.0290 921491.4634 -3190.0138 -2394.0290
ENERGY: 353 21825.9775 19344.0938 5676.6445 182.1014 -336147.6554 22699.4233 0.0000 0.0000 44043.1858 -222376.2293 160.2170 -266419.4151 -222047.6764 160.2170 -2709.1543 -2407.4664 921491.4634 -2709.1543 -2407.4664
ENERGY: 354 19814.0381 19544.5092 5682.7360 181.9868 -335375.1827 22676.8666 0.0000 0.0000 44983.0759 -222491.9701 163.6361 -267475.0460 -222046.2244 163.6361 -2040.9899 -2415.4742 921491.4634 -2040.9899 -2415.4742
ENERGY: 355 18879.8417 19773.7508 5689.2466 181.9196 -334823.9959 22664.4420 0.0000 0.0000 45120.2679 -222514.5272 164.1351 -267634.7952 -222044.8384 164.1351 -1600.3168 -2424.6827 921491.4634 -1600.3168 -2424.6827
ENERGY: 356 19622.4369 20015.8109 5694.4280 181.9402 -334758.7694 22674.4078 0.0000 0.0000 44153.0886 -222416.6568 160.6168 -266569.7454 -222053.0965 160.6168 -1622.0262 -2446.8265 921491.4634 -1622.0262 -2446.8265
ENERGY: 357 20687.2710 20255.1055 5697.1708 182.0215 -335288.0647 22700.2947 0.0000 0.0000 43438.0178 -222328.1834 158.0156 -265766.2012 -222042.2333 158.0156 -2061.3605 -2486.6662 921491.4634 -2061.3605 -2486.6662
ENERGY: 358 20785.4064 20424.8429 5696.9833 182.1295 -336225.9480 22730.2417 0.0000 0.0000 44019.5823 -222386.7619 160.1311 -266406.3442 -222043.9948 160.1311 -2636.8579 -2541.3592 921491.4634 -2636.8579 -2541.3592
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TIMING: 360 CPU: 170.329, 0.461153/step Wall: 170.329, 0.461153/step, 0.0179337 hours remaining, 3224.187500 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: 368 20561.5936 19748.2121 5739.6691 179.8275 -335728.0872 22808.6651 0.0000 0.0000 44272.8404 -222417.2795 161.0524 -266690.1199 -222068.2914 161.0524 -2928.4885 -2487.3070 921491.4634 -2928.4885 -2487.3070
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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 20646.4607 20251.1592 5706.5521 182.3248 -335763.5797 22794.3771 0.0000 0.0000 43848.2752 -222334.4305 159.5080 -266182.7057 -222041.4015 159.5080 -1819.5855 -2472.4985 921491.4634 -1819.5855 -2472.4985
ENERGY: 378 20473.8098 20495.6594 5711.4639 183.2952 -336584.2274 22821.5834 0.0000 0.0000 44474.7534 -222423.6623 161.7869 -266898.4157 -222044.3969 161.7869 -2972.9871 -2523.3498 921491.4634 -2972.9871 -2523.3498
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TIMING: 380 CPU: 179.546, 0.460859/step Wall: 179.546, 0.460859/step, 0.015362 hours remaining, 3224.187500 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: 383 21263.6994 19910.9247 5714.6670 180.7420 -337128.0229 22911.2842 0.0000 0.0000 44707.9442 -222438.7615 162.6352 -267146.7058 -222048.1884 162.6352 -2023.0806 -2294.0134 921491.4634 -2023.0806 -2294.0134
ENERGY: 384 19625.4114 19596.0354 5710.5349 179.0647 -336052.0488 22884.2530 0.0000 0.0000 45539.1831 -222517.5662 165.6590 -268056.7493 -222062.0930 165.6590 -569.2382 -2166.9359 921491.4634 -569.2382 -2166.9359
ENERGY: 385 19327.8181 19356.8912 5707.7751 177.4354 -335210.6401 22871.6140 0.0000 0.0000 45299.7169 -222469.3894 164.7879 -267769.1063 -222051.0997 164.7879 215.3513 -2064.3638 921491.4634 215.3513 -2064.3638
ENERGY: 386 19981.2272 19220.9465 5707.6638 175.9384 -334865.1817 22880.7953 0.0000 0.0000 44519.8585 -222378.7520 161.9510 -266898.6104 -222051.0441 161.9510 122.6669 -2011.2429 921491.4634 122.6669 -2011.2429
ENERGY: 387 20367.2858 19202.4845 5710.9354 174.6759 -335109.8724 22905.2739 0.0000 0.0000 44377.1815 -222372.0353 161.4320 -266749.2168 -222053.0054 161.4320 -738.9585 -2019.1690 921491.4634 -738.9585 -2019.1690
ENERGY: 388 20282.3985 19280.0168 5717.2934 173.7038 -335824.1513 22938.2895 0.0000 0.0000 44972.7760 -222459.6732 163.5986 -267432.4492 -222067.4819 163.5986 -2063.8553 -2076.2821 921491.4634 -2063.8553 -2076.2821
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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 19906.7782 20200.7711 5721.4919 176.2273 -336102.8175 22990.0368 0.0000 0.0000 44712.8679 -222394.6444 162.6531 -267107.5123 -222042.6602 162.6531 -376.0864 -2327.2104 921491.4634 -376.0864 -2327.2104
ENERGY: 398 19692.8113 20133.3592 5716.9814 176.0456 -336812.3379 23014.0578 0.0000 0.0000 45592.7327 -222486.3499 165.8538 -268079.0825 -222045.7225 165.8538 -1710.2238 -2443.6968 921491.4634 -1710.2238 -2443.6968
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LDB: ============= START OF LOAD BALANCING ============== 195.121
LDB: Largest compute 230 load 0.534185 is 1.2% of average load 45.732213
LDB: Average compute 0.064039 is 0.1% of average load 45.732213
LDB: TIME 195.122 LOAD: AVG 45.7322 MAX 46.1281 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.19 MB
LDB: TIME 195.123 LOAD: AVG 45.7322 MAX 46.1281 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.19 MB
LDB: TIME 195.123 LOAD: AVG 45.7322 MAX 46.1281 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.19 MB
LDB: ============== END OF LOAD BALANCING =============== 195.124
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.124
Info: Benchmark time: 4 CPUs 0.461223 s/step 5.33823 days/ns 3224.19 MB memory
TIMING: 400 CPU: 188.764, 0.460888/step Wall: 188.764, 0.460888/step, 0.0128024 hours remaining, 3224.187500 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 19942.3168 20661.9895 5710.0857 195.6953 -336157.5859 23063.1714 0.0000 0.0000 44200.2849 -222384.0422 160.7885 -266584.3271 -222052.9645 160.7885 -282.7612 -2224.6897 921491.4634 -282.7612 -2224.6897
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ENERGY: 418 20154.6646 20457.0911 5705.5848 188.6536 -336970.7868 23098.6726 0.0000 0.0000 44915.1422 -222450.9780 163.3889 -267366.1202 -222046.7094 163.3889 -671.8545 -2269.9921 921491.4634 -671.8545 -2269.9921
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TIMING: 420 CPU: 197.958, 0.459718/step Wall: 197.958, 0.459718/step, 0.0102159 hours remaining, 3224.187500 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: 428 20140.4226 19760.4172 5710.4629 168.5259 -336199.9855 23087.7679 0.0000 0.0000 44884.2594 -222448.1296 163.2766 -267332.3891 -222058.0549 163.2766 -935.5730 -2206.9583 921491.4634 -935.5730 -2206.9583
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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 20024.3737 5712.1700 168.1897 -338096.9202 23149.4494 0.0000 0.0000 44626.3097 -222402.4406 162.3382 -267028.7503 -222047.3915 162.3382 -2472.2455 -2268.0463 921491.4634 -2472.2455 -2268.0463
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ENERGY: 432 21768.3704 20188.6722 5710.3547 168.1086 -338651.2098 23176.0846 0.0000 0.0000 45177.9908 -222461.6286 164.3451 -267639.6193 -222065.9059 164.3451 -3350.2741 -2296.1496 921491.4634 -3350.2741 -2296.1496
ENERGY: 433 21200.9072 20275.9661 5710.3763 168.4633 -338164.0635 23162.2911 0.0000 0.0000 45192.9283 -222453.1311 164.3995 -267646.0594 -222052.5982 164.3995 -3187.3732 -2272.1275 921491.4634 -3187.3732 -2272.1275
ENERGY: 434 20730.3413 20338.1498 5711.6061 169.3247 -337394.2702 23140.7736 0.0000 0.0000 44883.0996 -222420.9752 163.2724 -267304.0748 -222051.1463 163.2724 -2694.3107 -2227.7884 921491.4634 -2694.3107 -2227.7884
ENERGY: 435 20235.2202 20362.4014 5714.0003 170.8455 -336680.6553 23123.4098 0.0000 0.0000 44675.9837 -222398.7944 162.5189 -267074.7781 -222049.5889 162.5189 -2061.3582 -2179.8950 921491.4634 -2061.3582 -2179.8950
ENERGY: 436 19670.9243 20349.9982 5717.2345 173.0864 -336303.8813 23119.9078 0.0000 0.0000 44847.0982 -222425.6319 163.1414 -267272.7301 -222059.6961 163.1414 -1520.6599 -2145.1617 921491.4634 -1520.6599 -2145.1617
ENERGY: 437 19434.5515 20329.5094 5720.9894 175.9827 -336411.9786 23136.3868 0.0000 0.0000 45159.2687 -222455.2903 164.2770 -267614.5590 -222050.7505 164.2770 -1319.1169 -2134.4849 921491.4634 -1319.1169 -2134.4849
ENERGY: 438 19935.1529 20278.6098 5724.6884 179.3848 -336899.4579 23173.5519 0.0000 0.0000 45148.1325 -222459.9376 164.2365 -267608.0701 -222051.5670 164.2365 -1493.0942 -2145.0882 921491.4634 -1493.0942 -2145.0882
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TIMING: 440 CPU: 207.143, 0.459237/step Wall: 207.143, 0.459237/step, 0.00765395 hours remaining, 3224.187500 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 20036.2375 5729.7527 186.7201 -338123.1813 23276.2485 0.0000 0.0000 44417.5460 -222405.1081 161.5788 -266822.6542 -222059.4775 161.5788 -2408.4613 -2197.9673 921491.4634 -2408.4613 -2197.9673
ENERGY: 441 22355.5487 19860.0413 5730.3488 190.1145 -338361.1723 23313.2044 0.0000 0.0000 44502.6966 -222409.2181 161.8886 -266911.9147 -222050.0862 161.8886 -2716.1029 -2221.5315 921491.4634 -2716.1029 -2221.5315
ENERGY: 442 21853.6119 19664.5353 5729.4854 192.9411 -338090.1542 23327.1567 0.0000 0.0000 44880.6322 -222441.7915 163.2634 -267322.4237 -222049.7757 163.2634 -2710.5578 -2229.0698 921491.4634 -2710.5578 -2229.0698
ENERGY: 443 21064.3317 19487.0726 5727.6165 194.9329 -337369.3158 23320.0156 0.0000 0.0000 45118.1109 -222457.2356 164.1273 -267575.3465 -222048.5998 164.1273 -2448.1651 -2220.3533 921491.4634 -2448.1651 -2220.3533
ENERGY: 444 20449.3365 19357.2693 5725.4095 195.8734 -336464.1931 23301.5275 0.0000 0.0000 44987.7177 -222447.0591 163.6530 -267434.7769 -222057.9801 163.6530 -2090.2102 -2206.4401 921491.4634 -2090.2102 -2206.4401
ENERGY: 445 20125.5610 19307.2520 5723.6513 195.6942 -335759.3920 23283.8137 0.0000 0.0000 44708.7153 -222414.7045 162.6380 -267123.4198 -222046.5432 162.6380 -1846.9629 -2201.6927 921491.4634 -1846.9629 -2201.6927
ENERGY: 446 19947.6805 19324.9007 5722.5430 194.3235 -335494.5710 23276.0449 0.0000 0.0000 44620.2942 -222408.7842 162.3164 -267029.0784 -222046.1624 162.3164 -1800.7520 -2216.7295 921491.4634 -1800.7520 -2216.7295
ENERGY: 447 19914.2846 19416.0210 5722.2107 191.8641 -335769.4398 23282.7456 0.0000 0.0000 44816.5084 -222425.8053 163.0301 -267242.3138 -222046.8346 163.0301 -1993.3113 -2253.0604 921491.4634 -1993.3113 -2253.0604
ENERGY: 448 20187.5918 19583.6798 5722.5765 188.5554 -336503.1793 23303.8902 0.0000 0.0000 45065.6670 -222451.2187 163.9365 -267516.8857 -222059.3482 163.9365 -2372.1878 -2303.7899 921491.4634 -2372.1878 -2303.7899
ENERGY: 449 20877.4056 19832.6982 5723.5713 184.8596 -337500.9061 23334.5921 0.0000 0.0000 45101.1672 -222446.6121 164.0657 -267547.7793 -222047.7101 164.0657 -2827.1080 -2356.1407 921491.4634 -2827.1080 -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 21754.4851 20108.1295 5724.4776 181.0897 -338419.3237 23364.6241 0.0000 0.0000 44854.3088 -222432.2088 163.1676 -267286.5176 -222048.7862 163.1676 -3116.6755 -2394.3896 921491.4634 -3116.6755 -2394.3896
ENERGY: 451 22355.5900 20357.7250 5724.7144 177.6517 -338952.0896 23381.8005 0.0000 0.0000 44542.6978 -222411.9102 162.0341 -266954.6080 -222048.8248 162.0341 -3074.2532 -2405.7798 921491.4634 -3074.2532 -2405.7798
ENERGY: 452 22246.2013 20536.0129 5723.8953 174.8859 -338927.1527 23378.0942 0.0000 0.0000 44452.9188 -222415.1442 161.7075 -266868.0630 -222059.6373 161.7075 -2659.9605 -2384.7568 921491.4634 -2659.9605 -2384.7568
ENERGY: 453 21399.8725 20641.1307 5722.2879 173.1350 -338392.7926 23354.5906 0.0000 0.0000 44683.7026 -222418.0733 162.5470 -267101.7759 -222043.5374 162.5470 -2048.3340 -2342.4669 921491.4634 -2048.3340 -2342.4669
ENERGY: 454 20248.3381 20654.1372 5720.2217 172.3637 -337567.1409 23320.6900 0.0000 0.0000 45008.1457 -222443.2444 163.7273 -267451.3901 -222041.8394 163.7273 -1453.4581 -2293.1451 921491.4634 -1453.4581 -2293.1451
ENERGY: 455 19486.7907 20584.7120 5718.4844 172.5169 -336790.6449 23290.4022 0.0000 0.0000 45086.5780 -222451.1606 164.0126 -267537.7386 -222040.8573 164.0126 -1151.8827 -2255.8572 921491.4634 -1151.8827 -2255.8572
ENERGY: 456 19493.3721 20440.6802 5717.7556 173.4248 -336350.1073 23274.9630 0.0000 0.0000 44811.4719 -222438.4397 163.0118 -267249.9116 -222055.3488 163.0118 -1305.5006 -2245.5823 921491.4634 -1305.5006 -2245.5823
ENERGY: 457 20047.4927 20251.9437 5718.5580 174.9241 -336395.8164 23277.8273 0.0000 0.0000 44521.8701 -222403.2005 161.9583 -266925.0706 -222049.4135 161.9583 -1906.4166 -2263.5013 921491.4634 -1906.4166 -2263.5013
ENERGY: 458 20585.8432 20019.2726 5720.7061 176.6081 -336835.0960 23294.7171 0.0000 0.0000 44632.7887 -222405.1602 162.3618 -267037.9489 -222051.2825 162.3618 -2684.6987 -2301.0428 921491.4634 -2684.6987 -2301.0428
ENERGY: 459 20903.4943 19784.9693 5724.0021 178.1984 -337468.1646 23318.6981 0.0000 0.0000 45113.9368 -222444.8655 164.1121 -267558.8023 -222053.1414 164.1121 -3350.5831 -2341.5797 921491.4634 -3350.5831 -2341.5797
TIMING: 460 CPU: 216.323, 0.459018/step Wall: 216.323, 0.459018/step, 0.0051002 hours remaining, 3224.187500 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 19597.9066 5728.0971 179.4910 -338014.3771 23341.7999 0.0000 0.0000 45423.8569 -222480.6118 165.2395 -267904.4687 -222064.6838 165.2395 -3669.8202 -2365.2414 921491.4634 -3669.8202 -2365.2414
ENERGY: 461 21862.8761 19507.1078 5732.5753 180.4333 -338251.6221 23355.3933 0.0000 0.0000 45154.6144 -222458.6221 164.2601 -267613.2364 -222058.0508 164.2601 -3556.1667 -2361.1802 921491.4634 -3556.1667 -2361.1802
ENERGY: 462 22264.2255 19487.8112 5736.4822 180.9531 -337988.7177 23351.1083 0.0000 0.0000 44559.9297 -222408.2076 162.0968 -266968.1373 -222056.7215 162.0968 -2954.8202 -2323.4253 921491.4634 -2954.8202 -2323.4253
ENERGY: 463 21821.1793 19513.9019 5738.9361 181.1160 -337284.1036 23326.9474 0.0000 0.0000 44313.4576 -222388.5654 161.2002 -266702.0229 -222054.6243 161.2002 -2012.4427 -2264.0780 921491.4634 -2012.4427 -2264.0780
ENERGY: 464 20535.2463 19559.9276 5739.2518 181.0096 -336389.3847 23291.1938 0.0000 0.0000 44654.0270 -222428.7286 162.4391 -267082.7556 -222058.5731 162.4391 -1050.9231 -2205.5271 921491.4634 -1050.9231 -2205.5271
ENERGY: 465 19322.7830 19631.8857 5737.2899 180.7155 -335701.1539 23259.7387 0.0000 0.0000 45094.5690 -222474.1721 164.0416 -267568.7412 -222052.9390 164.0416 -512.3351 -2174.4010 921491.4634 -512.3351 -2174.4010
ENERGY: 466 19088.4512 19708.3583 5733.2107 180.2808 -335443.7728 23245.0599 0.0000 0.0000 45020.7911 -222467.6208 163.7733 -267488.4119 -222052.9787 163.7733 -630.3318 -2182.6712 921491.4634 -630.3318 -2182.6712
ENERGY: 467 19841.8069 19783.1743 5727.6704 179.7757 -335721.0950 23249.4524 0.0000 0.0000 44523.6669 -222415.5484 161.9649 -266939.2154 -222054.3497 161.9649 -1393.6032 -2232.5926 921491.4634 -1393.6032 -2232.5926
ENERGY: 468 20761.8480 19845.4941 5721.5089 179.2779 -336451.5661 23265.8120 0.0000 0.0000 44291.6589 -222385.9663 161.1209 -266677.6252 -222056.3591 161.1209 -2508.6715 -2314.1342 921491.4634 -2508.6715 -2314.1342
ENERGY: 469 21236.3014 19910.2019 5715.6824 178.8504 -337458.3194 23284.3955 0.0000 0.0000 44720.3206 -222412.5673 162.6802 -267132.8878 -222046.0750 162.6802 -3596.7406 -2405.7974 921491.4634 -3596.7406 -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 21411.1729 19972.8931 5710.9491 178.5947 -338383.2498 23297.0666 0.0000 0.0000 45346.4577 -222466.1157 164.9580 -267812.5734 -222047.6089 164.9580 -4259.6995 -2477.6833 921491.4634 -4259.6995 -2477.6833
ENERGY: 471 21732.8676 20054.6831 5707.9626 178.5890 -338913.2442 23297.5078 0.0000 0.0000 45471.3369 -222470.2971 165.4122 -267941.6340 -222047.5359 165.4122 -4290.5684 -2504.3177 921491.4634 -4290.5684 -2504.3177
ENERGY: 472 22081.2360 20161.5548 5707.0091 178.9047 -338870.6758 23279.4485 0.0000 0.0000 45028.5298 -222433.9930 163.8014 -267462.5227 -222059.5058 163.8014 -3659.7361 -2479.9185 921491.4634 -3659.7361 -2479.9185
ENERGY: 473 21866.1364 20289.3423 5707.9843 179.6165 -338307.7182 23240.7357 0.0000 0.0000 44634.5172 -222389.3859 162.3681 -267023.9031 -222043.8539 162.3681 -2556.3618 -2408.1658 921491.4634 -2556.3618 -2408.1658
ENERGY: 474 20842.9707 20372.0984 5710.2160 180.7466 -337438.4543 23189.2342 0.0000 0.0000 44733.2303 -222409.9581 162.7272 -267143.1884 -222041.2619 162.7272 -1295.5528 -2316.2729 921491.4634 -1295.5528 -2316.2729
ENERGY: 475 19674.2082 20371.7672 5712.9876 182.2512 -336604.2303 23142.3812 0.0000 0.0000 45070.2134 -222450.4216 163.9530 -267520.6350 -222039.4530 163.9530 -344.6452 -2232.2127 921491.4634 -344.6452 -2232.2127
ENERGY: 476 19235.7861 20282.0273 5715.7683 184.0125 -336100.0895 23115.8461 0.0000 0.0000 45106.0629 -222460.5863 164.0835 -267566.6491 -222053.6139 164.0835 -92.4052 -2183.0654 921491.4634 -92.4052 -2183.0654
ENERGY: 477 19704.7248 20145.9812 5718.4976 185.9230 -336101.8780 23114.2934 0.0000 0.0000 44812.3203 -222420.1377 163.0149 -267232.4580 -222044.8413 163.0149 -667.4947 -2171.8229 921491.4634 -667.4947 -2171.8229
ENERGY: 478 20493.4774 19974.7637 5721.0254 187.7262 -336537.4026 23131.2455 0.0000 0.0000 44627.0327 -222402.1317 162.3409 -267029.1644 -222047.4109 162.3409 -1807.1603 -2198.7957 921491.4634 -1807.1603 -2198.7957
ENERGY: 479 21125.3056 19793.3956 5723.3295 189.2099 -337215.5828 23156.6767 0.0000 0.0000 44802.1571 -222425.5085 162.9779 -267227.6656 -222050.5462 162.9779 -3089.8514 -2246.7918 921491.4634 -3089.8514 -2246.7918
TIMING: 480 CPU: 225.506, 0.45916/step Wall: 225.506, 0.45916/step, 0.00255089 hours remaining, 3224.187500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0325 19623.1965 5725.3111 190.1900 -337854.6775 23181.5113 0.0000 0.0000 45051.6808 -222458.7553 163.8856 -267510.4361 -222064.6212 163.8856 -4077.7324 -2291.4893 921491.4634 -4077.7324 -2291.4893
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ENERGY: 482 22186.3467 19466.6796 5728.4964 190.3598 -338044.5412 23192.7470 0.0000 0.0000 44865.8515 -222414.0603 163.2096 -267279.9118 -222051.4115 163.2096 -4059.3099 -2278.0617 921491.4634 -4059.3099 -2278.0617
ENERGY: 483 21553.1415 19511.5747 5729.5660 189.3227 -337426.2181 23165.8737 0.0000 0.0000 44861.8964 -222414.8432 163.1952 -267276.7396 -222048.7675 163.1952 -2964.1726 -2216.4118 921491.4634 -2964.1726 -2216.4118
ENERGY: 484 20460.8929 19631.1940 5730.2465 187.5455 -336590.8880 23126.1348 0.0000 0.0000 45003.6025 -222451.2718 163.7107 -267454.8743 -222059.8743 163.7107 -1565.2429 -2143.1851 921491.4634 -1565.2429 -2143.1851
ENERGY: 485 19688.7723 19800.2992 5730.5256 185.2458 -335902.5861 23092.8467 0.0000 0.0000 44955.5719 -222449.3247 163.5360 -267404.8966 -222045.9607 163.5360 -422.1574 -2086.8737 921491.4634 -422.1574 -2086.8737
ENERGY: 486 19602.5427 19954.8175 5729.7198 182.4662 -335612.3562 23080.3804 0.0000 0.0000 44645.9113 -222416.5183 162.4096 -267062.4295 -222044.6761 162.4096 87.3177 -2070.0983 921491.4634 87.3177 -2070.0983
ENERGY: 487 19881.0923 20072.0211 5727.4347 179.4360 -335846.4474 23091.0541 0.0000 0.0000 44503.3491 -222392.0600 161.8910 -266895.4092 -222045.2408 161.8910 -192.2348 -2106.8842 921491.4634 -192.2348 -2106.8842
ENERGY: 488 20125.2096 20156.1359 5723.5441 176.4338 -336552.5445 23118.8614 0.0000 0.0000 44827.0555 -222425.3044 163.0685 -267252.3599 -222057.1941 163.0685 -1145.7534 -2194.6682 921491.4634 -1145.7534 -2194.6682
ENERGY: 489 20526.8869 20236.4606 5718.5748 173.8639 -337540.4648 23156.7308 0.0000 0.0000 45266.1002 -222461.8476 164.6656 -267727.9477 -222045.6088 164.6656 -2511.2403 -2316.7068 921491.4634 -2511.2403 -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 21410.7488 20292.9019 5712.8912 171.8438 -338458.1354 23196.4875 0.0000 0.0000 45213.5626 -222459.6996 164.4745 -267673.2622 -222048.2211 164.4745 -3823.4037 -2437.4156 921491.4634 -3823.4037 -2437.4156
ENERGY: 491 22430.4639 20312.1359 5707.3795 170.5404 -338984.5788 23226.0935 0.0000 0.0000 44733.0086 -222404.9571 162.7264 -267137.9657 -222049.4641 162.7264 -4629.6933 -2524.6216 921491.4634 -4629.6933 -2524.6216
ENERGY: 492 22612.9548 20289.6810 5702.9944 170.0208 -338937.5812 23232.7204 0.0000 0.0000 44542.1946 -222387.0153 162.0323 -266929.2099 -222060.3862 162.0323 -4606.8525 -2557.4730 921491.4634 -4606.8525 -2557.4730
ENERGY: 493 21558.2190 20260.7374 5700.7779 170.3200 -338358.0630 23214.0535 0.0000 0.0000 45033.8224 -222420.1328 163.8207 -267453.9552 -222046.5903 163.8207 -3796.3822 -2540.0997 921491.4634 -3796.3822 -2540.0997
ENERGY: 494 20068.3369 20225.0262 5700.9805 171.2193 -337454.3832 23183.0794 0.0000 0.0000 45622.2468 -222483.4941 165.9612 -268105.7410 -222044.0870 165.9612 -2500.8997 -2482.1069 921491.4634 -2500.8997 -2482.1069
ENERGY: 495 19383.2464 20186.8302 5703.5926 172.5416 -336566.9883 23159.4624 0.0000 0.0000 45484.1224 -222477.1927 165.4587 -267961.3151 -222041.5566 165.4587 -1249.6841 -2407.3056 921491.4634 -1249.6841 -2407.3056
ENERGY: 496 19722.4833 20130.6474 5708.0350 174.0933 -335998.7146 23154.2634 0.0000 0.0000 44699.5263 -222409.6659 162.6046 -267109.1922 -222049.0670 162.6046 -478.9000 -2343.4750 921491.4634 -478.9000 -2343.4750
ENERGY: 497 20212.6665 20059.9178 5713.4613 175.7242 -335952.5031 23166.3544 0.0000 0.0000 44261.0281 -222363.3510 161.0095 -266624.3790 -222042.7499 161.0095 -421.0232 -2316.7927 921491.4634 -421.0232 -2316.7927
ENERGY: 498 20182.0160 19957.1218 5718.5596 177.2604 -336366.4920 23189.3584 0.0000 0.0000 44728.2526 -222413.9233 162.7091 -267142.1758 -222044.5219 162.7091 -993.4676 -2331.6472 921491.4634 -993.4676 -2331.6472
ENERGY: 499 20158.0674 19847.7311 5722.4089 178.6361 -337058.4810 23219.2402 0.0000 0.0000 45439.2634 -222493.1338 165.2956 -267932.3972 -222047.2061 165.2956 -2020.8683 -2376.3390 921491.4634 -2020.8683 -2376.3390
Info: Benchmark time: 4 CPUs 0.458494 s/step 5.30665 days/ns 3224.19 MB memory
TIMING: 500 CPU: 234.613, 0.455347/step Wall: 234.613, 0.455347/step, 0 hours remaining, 3224.187500 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 20974.8933 19756.6587 5724.4523 179.8271 -337741.4181 23251.1006 0.0000 0.0000 45359.0767 -222495.4094 165.0039 -267854.4861 -222061.0912 165.0039 -3197.5165 -2425.4143 921491.4634 -3197.5165 -2425.4143
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, 3229.637 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.637 MB of memory in use
====================================================
WallClock: 241.859787 CPUTime: 241.859787 Memory: 3229.636719 MB
[Partition 0][Node 0] End of program
Application 1110924 resources: utime ~950s, stime ~19s, Rss ~127088, inblocks ~66551, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.859787
CPU=241.859787
MEM=3229.636719
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 17 14:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 17 14:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 17 14:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 189488 Dec 17 14:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 17 14:50 status
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 17 14:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 17 14:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 17 14:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 17 14:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 17 14:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 17 14:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 17 14:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 17 14:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 17 14:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 17 14:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 17 14:21 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/jenkins8317509811463003146.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}
