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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 ============== 54.6873
LDB: Largest compute 200 load 0.434831 is 1.2% of average load 36.867871
LDB: Average compute 0.051648 is 0.1% of average load 36.867871
LDB: Partitioning computes with target load 3.686787
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.056139
LDB: ============== END OF LOAD BALANCING =============== 54.6894
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.6903
Info: Initial time: 4 CPUs 0.475063 s/step 5.49841 days/ns 3221.39 MB memory
TIMING: 100 CPU: 48.4781, 0.474086/step Wall: 48.4781, 0.474086/step, 0.0526762 hours remaining, 3221.394531 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 ============== 64.1534
LDB: ============== END OF LOAD BALANCING =============== 64.1535
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.154
TIMING: 120 CPU: 57.9409, 0.473139/step Wall: 57.9409, 0.473139/step, 0.0499425 hours remaining, 3221.601562 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 42784.9638 -222340.8739 155.6399 -265125.8377 -222213.1815 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.3975, 0.472833/step Wall: 67.3975, 0.472833/step, 0.0472833 hours remaining, 3221.800781 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: 76.8414, 0.472194/step Wall: 76.8414, 0.472194/step, 0.0445961 hours remaining, 3221.964844 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 178 21917.7901 18733.9560 5737.6245 154.5770 -332975.2978 21015.2133 0.0000 0.0000 43101.1544 -222314.9825 156.7902 -265416.1368 -222126.1322 156.7902 -2936.2257 -2665.7683 921491.4634 -2936.2257 -2665.7683
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TIMING: 180 CPU: 86.2768, 0.47177/step Wall: 86.2768, 0.47177/step, 0.0419351 hours remaining, 3222.105469 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: 184 18376.8755 19424.9914 5710.5468 174.1844 -332181.9079 21042.4479 0.0000 0.0000 44880.5527 -222572.3091 163.2631 -267452.8618 -222144.6142 163.2631 -1576.6175 -2645.2274 921491.4634 -1576.6175 -2645.2274
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ENERGY: 186 19266.0406 19234.9570 5686.4352 181.9571 -332240.0937 21043.7459 0.0000 0.0000 44391.5887 -222435.3692 161.4844 -266826.9579 -222129.2888 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2969 19471.4303 5678.7398 184.6336 -333156.1127 21076.9264 0.0000 0.0000 42449.0055 -222222.0801 154.4178 -264671.0857 -222130.9080 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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ENERGY: 197 21700.3672 19122.7581 5714.1451 184.7200 -332668.2734 21129.4588 0.0000 0.0000 42574.3654 -222242.4589 154.8738 -264816.8243 -222086.7182 154.8738 -3040.7439 -2596.5495 921491.4634 -3040.7439 -2596.5495
ENERGY: 198 21224.0062 18800.3006 5711.3574 186.3640 -333385.5001 21161.1533 0.0000 0.0000 43911.2863 -222391.0322 159.7372 -266302.3186 -222090.4393 159.7372 -4381.6811 -2646.7680 921491.4634 -4381.6811 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.924
LDB: Largest compute 200 load 0.428961 is 1.2% of average load 36.689527
LDB: Average compute 0.051395 is 0.1% of average load 36.689527
LDB: TIME 101.926 LOAD: AVG 36.6895 MAX 37.7699 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.42 MB
LDB: TIME 101.928 LOAD: AVG 36.6895 MAX 37.5587 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.42 MB
LDB: ============== END OF LOAD BALANCING =============== 101.93
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.933
Info: Initial time: 4 CPUs 0.472306 s/step 5.46651 days/ns 3223.59 MB memory
TIMING: 200 CPU: 95.7185, 0.472087/step Wall: 95.7185, 0.472087/step, 0.0393406 hours remaining, 3223.585938 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: 200 21073.6837 18595.6350 5711.8747 190.0258 -334670.2811 21209.9247 0.0000 0.0000 45319.1601 -222569.9771 164.8586 -267889.1372 -222114.5244 164.8586 -5241.8526 -2703.6813 921491.4634 -5241.8526 -2703.6813
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ENERGY: 203 20743.8945 19130.0390 5729.2400 192.0764 -333501.9372 21215.8254 0.0000 0.0000 44059.6986 -222431.1634 160.2771 -266490.8620 -222093.6426 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6124 19486.9556 5734.1463 191.2124 -332722.2199 21188.8403 0.0000 0.0000 45629.4720 -222628.9810 165.9875 -268258.4529 -222116.7002 165.9875 452.9934 -2462.2929 921491.4634 452.9934 -2462.2929
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ENERGY: 207 21693.8034 20338.2890 5726.5434 185.3060 -333603.9793 21289.9001 0.0000 0.0000 42143.6914 -222226.4459 153.3072 -264370.1373 -222103.0932 153.3072 -1896.3479 -2585.9683 921491.4634 -1896.3479 -2585.9683
ENERGY: 208 20293.2705 20371.8903 5718.1572 182.8654 -334789.2381 21322.2410 0.0000 0.0000 44428.6271 -222472.1866 161.6191 -266900.8137 -222122.6315 161.6191 -3669.0644 -2719.7952 921491.4634 -3669.0644 -2719.7952
ENERGY: 209 19428.8172 20325.0059 5710.3389 180.5135 -335910.2417 21349.5044 0.0000 0.0000 46273.6802 -222642.3817 168.3309 -268916.0618 -222106.7902 168.3309 -5197.7275 -2836.6306 921491.4634 -5197.7275 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1735 20194.2569 5705.3139 178.4614 -336615.7771 21385.1096 0.0000 0.0000 45251.4335 -222516.0283 164.6123 -267767.4618 -222108.2017 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1928 19985.8632 5704.9373 176.9105 -336667.8930 21415.1477 0.0000 0.0000 43031.7285 -222254.1129 156.5376 -265285.8415 -222106.8542 156.5376 -5900.2977 -2885.1010 921491.4634 -5900.2977 -2885.1010
ENERGY: 212 23739.2709 19730.8223 5710.0295 176.0352 -336013.6227 21412.5983 0.0000 0.0000 42995.1638 -222249.7027 156.4046 -265244.8665 -222104.2319 156.4046 -4424.1001 -2820.3211 921491.4634 -4424.1001 -2820.3211
ENERGY: 213 20150.2159 19524.5249 5720.1722 175.9508 -334874.6443 21380.5552 0.0000 0.0000 45418.7806 -222504.4448 165.2210 -267923.2253 -222097.3835 165.2210 -2174.3116 -2725.0841 921491.4634 -2174.3116 -2725.0841
ENERGY: 214 17315.5528 19421.7449 5733.3059 176.6827 -333645.3936 21358.4485 0.0000 0.0000 46958.4702 -222681.1886 170.8220 -269639.6588 -222093.7408 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5055 19441.9744 5746.5772 178.1492 -332787.3323 21379.5596 0.0000 0.0000 45302.6746 -222527.8917 164.7987 -267830.5663 -222091.0448 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4718 19522.5062 5756.9571 180.1770 -332560.1062 21436.4836 0.0000 0.0000 42442.1787 -222248.3318 154.3930 -264690.5105 -222073.6156 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3869 19581.4820 5762.2416 182.5517 -333010.6759 21497.2706 0.0000 0.0000 41983.6749 -222225.0683 152.7251 -264208.7432 -222064.4465 152.7251 -882.1700 -2598.7243 921491.4634 -882.1700 -2598.7243
ENERGY: 218 20165.9159 19540.0891 5761.2415 184.9927 -333856.1149 21546.6561 0.0000 0.0000 44178.6835 -222478.5361 160.7099 -266657.2196 -222068.8155 160.7099 -2628.0653 -2703.9746 921491.4634 -2628.0653 -2703.9746
ENERGY: 219 19429.8641 19413.3931 5754.3577 187.2447 -334778.0710 21596.8809 0.0000 0.0000 45751.9297 -222644.4008 166.4329 -268396.3305 -222073.1720 166.4329 -4457.7333 -2810.5236 921491.4634 -4457.7333 -2810.5236
TIMING: 220 CPU: 105.165, 0.472324/step Wall: 105.165, 0.472324/step, 0.0367363 hours remaining, 3223.585938 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: 114.604, 0.471958/step Wall: 114.604, 0.471958/step, 0.0340858 hours remaining, 3223.585938 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 19853.7025 5716.8932 174.1558 -334213.1206 21705.0849 0.0000 0.0000 43600.4182 -222284.3179 158.6063 -265884.7361 -222067.4297 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
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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: 260 CPU: 124.032, 0.471388/step Wall: 124.032, 0.471388/step, 0.0314259 hours remaining, 3223.890625 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: 264 19385.2258 20436.4306 5710.6950 187.5052 -334855.9510 21907.7771 0.0000 0.0000 44751.4785 -222476.8388 162.7936 -267228.3173 -222069.1983 162.7936 -2191.1925 -2723.5294 921491.4634 -2191.1925 -2723.5294
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ENERGY: 266 20048.7899 20788.8701 5712.1327 187.6137 -334399.4576 21914.4803 0.0000 0.0000 43399.3797 -222348.1912 157.8750 -265747.5708 -222054.3634 157.8750 -2130.7241 -2664.5957 921491.4634 -2130.7241 -2664.5957
ENERGY: 267 19648.0906 20691.2679 5707.0583 187.8501 -334831.4855 21930.8372 0.0000 0.0000 44220.2168 -222446.1646 160.8610 -266666.3814 -222055.6584 160.8610 -2435.4236 -2662.6784 921491.4634 -2435.4236 -2662.6784
ENERGY: 268 19962.9162 20375.7516 5700.1930 187.9286 -335513.7448 21959.1256 0.0000 0.0000 44823.5377 -222504.2922 163.0557 -267327.8299 -222075.9873 163.0557 -2903.2127 -2658.6182 921491.4634 -2903.2127 -2658.6182
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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: 272 21021.5584 18896.0661 5692.8269 184.9335 -335921.4612 22015.0578 0.0000 0.0000 45607.7076 -222503.3109 165.9083 -268111.0185 -222081.1571 165.9083 -2551.9684 -2501.8805 921491.4634 -2551.9684 -2501.8805
ENERGY: 273 20123.2134 18932.9080 5697.5118 183.8526 -334925.7008 21985.5294 0.0000 0.0000 45502.7161 -222499.9695 165.5264 -268002.6856 -222069.0458 165.5264 -1837.1974 -2434.6761 921491.4634 -1837.1974 -2434.6761
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ENERGY: 276 19401.8502 19594.7507 5701.2547 182.4904 -333292.1276 21971.0408 0.0000 0.0000 44028.5271 -222412.2138 160.1637 -266440.7409 -222072.9393 160.1637 -1580.1300 -2417.6041 921491.4634 -1580.1300 -2417.6041
ENERGY: 277 19149.2973 19724.7159 5695.5210 182.9396 -333864.3450 21997.2385 0.0000 0.0000 44632.8112 -222481.8215 162.3619 -267114.6327 -222061.0985 162.3619 -2311.7546 -2498.0545 921491.4634 -2311.7546 -2498.0545
ENERGY: 278 20199.4578 19713.7758 5686.9122 183.6585 -334821.1000 22041.3357 0.0000 0.0000 44532.2541 -222463.7059 161.9961 -266995.9600 -222063.4128 161.9961 -3254.8158 -2593.7697 921491.4634 -3254.8158 -2593.7697
ENERGY: 279 21984.3651 19593.9430 5677.5176 184.5187 -335888.5798 22096.4197 0.0000 0.0000 43975.0881 -222376.7277 159.9693 -266351.8158 -222065.2021 159.9693 -4044.3215 -2682.8389 921491.4634 -4044.3215 -2682.8389
TIMING: 280 CPU: 133.453, 0.471049/step Wall: 133.453, 0.471049/step, 0.0287863 hours remaining, 3223.890625 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: 282 20943.7898 19615.5379 5669.9796 186.8360 -336942.5034 22176.7652 0.0000 0.0000 45823.3371 -222526.2578 166.6927 -268349.5948 -222063.3316 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
ENERGY: 283 20432.1060 19966.6615 5678.8137 187.1634 -336251.9200 22171.0646 0.0000 0.0000 45328.8521 -222487.2587 164.8939 -267816.1108 -222060.8460 164.8939 -2008.7735 -2748.2306 921491.4634 -2008.7735 -2748.2306
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ENERGY: 285 20203.3286 20789.9630 5707.3565 186.7145 -334827.1964 22167.0164 0.0000 0.0000 43418.2631 -222354.5544 157.9437 -265772.8175 -222053.5966 157.9437 -1010.8437 -2700.0820 921491.4634 -1010.8437 -2700.0820
ENERGY: 286 19396.6309 20966.5623 5721.5031 185.8230 -334658.1148 22176.6861 0.0000 0.0000 43785.6882 -222425.2211 159.2803 -266210.9093 -222054.0581 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1191 20856.7824 5731.9346 184.4714 -334918.1480 22200.2908 0.0000 0.0000 44282.9439 -222485.6058 161.0892 -266768.5496 -222055.7252 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
ENERGY: 288 20263.2089 20475.2852 5736.9557 182.7335 -335468.3150 22237.9036 0.0000 0.0000 44116.9906 -222455.2375 160.4855 -266572.2281 -222066.9053 160.4855 -3310.5881 -2790.1555 921491.4634 -3310.5881 -2790.1555
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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 ============== 149.105
LDB: Largest compute 230 load 0.522810 is 1.1% of average load 45.782944
LDB: Average compute 0.064135 is 0.1% of average load 45.782944
LDB: TIME 149.107 LOAD: AVG 45.7829 MAX 47.1722 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.09 MB
LDB: TIME 149.108 LOAD: AVG 45.7829 MAX 47.1722 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.09 MB
LDB: TIME 149.122 LOAD: AVG 45.7829 MAX 46.3069 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.09 MB
LDB: ============== END OF LOAD BALANCING =============== 149.123
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 149.124
Info: Initial time: 4 CPUs 0.471421 s/step 5.45626 days/ns 3224.09 MB memory
TIMING: 300 CPU: 142.88, 0.471351/step Wall: 142.88, 0.471351/step, 0.0261862 hours remaining, 3224.089844 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 320 CPU: 152.117, 0.461863/step Wall: 152.117, 0.461863/step, 0.0230931 hours remaining, 3224.089844 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: 161.346, 0.46143/step Wall: 161.346, 0.46143/step, 0.020508 hours remaining, 3224.089844 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: 170.569, 0.461143/step Wall: 170.569, 0.461143/step, 0.0179333 hours remaining, 3224.089844 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 20646.4609 20251.1595 5706.5521 182.3249 -335763.5805 22794.3775 0.0000 0.0000 43848.2752 -222334.4304 159.5080 -266182.7056 -222041.4015 159.5080 -1819.5858 -2472.4986 921491.4634 -1819.5858 -2472.4986
ENERGY: 378 20473.8101 20495.6597 5711.4639 183.2952 -336584.2282 22821.5838 0.0000 0.0000 44474.7533 -222423.6623 161.7869 -266898.4156 -222044.3969 161.7869 -2972.9874 -2523.3498 921491.4634 -2972.9874 -2523.3498
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TIMING: 380 CPU: 179.787, 0.460895/step Wall: 179.787, 0.460894/step, 0.0153631 hours remaining, 3224.089844 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 21263.6992 19910.9245 5714.6670 180.7420 -337128.0224 22911.2847 0.0000 0.0000 44707.9440 -222438.7611 162.6352 -267146.7051 -222048.1880 162.6352 -2023.0801 -2294.0131 921491.4634 -2023.0801 -2294.0131
ENERGY: 384 19625.4112 19596.0352 5710.5349 179.0647 -336052.0484 22884.2536 0.0000 0.0000 45539.1829 -222517.5659 165.6590 -268056.7488 -222062.0926 165.6590 -569.2378 -2166.9357 921491.4634 -569.2378 -2166.9357
ENERGY: 385 19327.8180 19356.8910 5707.7751 177.4354 -335210.6398 22871.6145 0.0000 0.0000 45299.7167 -222469.3890 164.7879 -267769.1057 -222051.0994 164.7879 215.3516 -2064.3635 921491.4634 215.3516 -2064.3635
ENERGY: 386 19981.2273 19220.9463 5707.6638 175.9385 -334865.1815 22880.7960 0.0000 0.0000 44519.8582 -222378.7516 161.9510 -266898.6098 -222051.0438 161.9510 122.6670 -2011.2427 921491.4634 122.6670 -2011.2427
ENERGY: 387 20367.2861 19202.4842 5710.9354 174.6759 -335109.8724 22905.2746 0.0000 0.0000 44377.1812 -222372.0350 161.4320 -266749.2162 -222053.0051 161.4320 -738.9585 -2019.1688 921491.4634 -738.9585 -2019.1688
ENERGY: 388 20282.3988 19280.0166 5717.2934 173.7038 -335824.1517 22938.2902 0.0000 0.0000 44972.7757 -222459.6731 163.5986 -267432.4488 -222067.4817 163.5986 -2063.8554 -2076.2820 921491.4634 -2063.8554 -2076.2820
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 398 19692.8118 20133.3593 5716.9814 176.0456 -336812.3387 23014.0588 0.0000 0.0000 45592.7322 -222486.3497 165.8538 -268079.0819 -222045.7223 165.8538 -1710.2237 -2443.6965 921491.4634 -1710.2237 -2443.6965
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LDB: ============= START OF LOAD BALANCING ============== 195.252
LDB: Largest compute 230 load 0.532776 is 1.2% of average load 45.766482
LDB: Average compute 0.064101 is 0.1% of average load 45.766482
LDB: TIME 195.253 LOAD: AVG 45.7665 MAX 46.1272 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.09 MB
LDB: TIME 195.254 LOAD: AVG 45.7665 MAX 46.1272 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.09 MB
LDB: TIME 195.254 LOAD: AVG 45.7665 MAX 46.1272 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.09 MB
LDB: ============== END OF LOAD BALANCING =============== 195.255
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.255
Info: Benchmark time: 4 CPUs 0.461205 s/step 5.33802 days/ns 3224.09 MB memory
TIMING: 400 CPU: 189.005, 0.460901/step Wall: 189.005, 0.460901/step, 0.0128028 hours remaining, 3224.089844 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: 402 22444.0479 19835.9106 5715.8942 173.8391 -338107.6285 23109.6380 0.0000 0.0000 44436.8097 -222391.4890 161.6489 -266828.2987 -222049.2226 161.6489 -4939.3793 -2681.7024 921491.4634 -4939.3793 -2681.7024
ENERGY: 403 20784.9694 19778.4825 5715.7218 174.2695 -337239.9780 23077.8404 0.0000 0.0000 45225.5961 -222483.0985 164.5183 -267708.6945 -222046.6854 164.5183 -3613.5976 -2605.7427 921491.4634 -3613.5976 -2605.7427
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ENERGY: 408 19735.8471 19387.6641 5692.2151 187.5226 -335902.8214 23017.8174 0.0000 0.0000 45394.4120 -222487.3431 165.1324 -267881.7551 -222063.5311 165.1324 -920.8282 -2294.1556 921491.4634 -920.8282 -2294.1556
ENERGY: 409 20350.1188 19376.4604 5688.4775 191.1593 -336896.6843 23057.9922 0.0000 0.0000 45733.6058 -222498.8703 166.3663 -268232.4761 -222051.6703 166.3663 -2367.4920 -2346.9325 921491.4634 -2367.4920 -2346.9325
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: 413 21130.1416 20138.5249 5699.9334 199.7191 -337872.5317 23125.1115 0.0000 0.0000 45113.2143 -222465.8869 164.1095 -267579.1012 -222055.3453 164.1095 -3850.6268 -2398.9549 921491.4634 -3850.6268 -2398.9549
ENERGY: 414 19987.3855 20381.5507 5705.1135 199.5118 -337122.7797 23094.4557 0.0000 0.0000 45271.6528 -222483.1097 164.6858 -267754.7625 -222052.1623 164.6858 -2501.3241 -2333.9464 921491.4634 -2501.3241 -2333.9464
ENERGY: 415 19745.2666 20572.1260 5708.7452 198.1487 -336456.1973 23071.1990 0.0000 0.0000 44733.2274 -222427.4845 162.7272 -267160.7119 -222049.0346 162.7272 -1174.6453 -2266.5615 921491.4634 -1174.6453 -2266.5615
ENERGY: 416 19942.3170 20661.9897 5710.0857 195.6954 -336157.5863 23063.1713 0.0000 0.0000 44200.2850 -222384.0423 160.7885 -266584.3273 -222052.9646 160.7885 -282.7615 -2224.6898 921491.4634 -282.7615 -2224.6898
ENERGY: 417 20031.3751 20631.3209 5709.0494 192.4696 -336373.1077 23072.1097 0.0000 0.0000 44338.4619 -222398.3211 161.2911 -266736.7831 -222044.6995 161.2911 -112.4555 -2227.1700 921491.4634 -112.4555 -2227.1700
ENERGY: 418 20154.6649 20457.0908 5705.5847 188.6536 -336970.7868 23098.6724 0.0000 0.0000 44915.1423 -222450.9780 163.3889 -267366.1204 -222046.7095 163.3889 -671.8548 -2269.9922 921491.4634 -671.8548 -2269.9922
ENERGY: 419 20790.7631 20185.5522 5700.4810 184.6055 -337717.8756 23139.8021 0.0000 0.0000 45250.3101 -222466.3615 164.6082 -267716.6717 -222049.5952 164.6082 -1783.9423 -2336.6465 921491.4634 -1783.9423 -2336.6465
TIMING: 420 CPU: 198.196, 0.45958/step Wall: 198.196, 0.45958/step, 0.0102129 hours remaining, 3224.089844 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: 432 21768.3703 20188.6726 5710.3547 168.1086 -338651.2097 23176.0841 0.0000 0.0000 45177.9908 -222461.6287 164.3451 -267639.6195 -222065.9060 164.3451 -3350.2741 -2296.1498 921491.4634 -3350.2741 -2296.1498
ENERGY: 433 21200.9070 20275.9666 5710.3763 168.4633 -338164.0634 23162.2906 0.0000 0.0000 45192.9283 -222453.1313 164.3995 -267646.0596 -222052.5984 164.3995 -3187.3732 -2272.1276 921491.4634 -3187.3732 -2272.1276
ENERGY: 434 20730.3410 20338.1501 5711.6061 169.3247 -337394.2702 23140.7731 0.0000 0.0000 44883.0999 -222420.9754 163.2724 -267304.0752 -222051.1464 163.2724 -2694.3107 -2227.7885 921491.4634 -2694.3107 -2227.7885
ENERGY: 435 20235.2199 20362.4017 5714.0003 170.8455 -336680.6554 23123.4093 0.0000 0.0000 44675.9841 -222398.7946 162.5190 -267074.7787 -222049.5891 162.5190 -2061.3583 -2179.8952 921491.4634 -2061.3583 -2179.8952
ENERGY: 436 19670.9243 20349.9983 5717.2345 173.0864 -336303.8812 23119.9073 0.0000 0.0000 44847.0984 -222425.6319 163.1414 -267272.7303 -222059.6961 163.1414 -1520.6600 -2145.1618 921491.4634 -1520.6600 -2145.1618
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ENERGY: 438 19935.1534 20278.6095 5724.6884 179.3849 -336899.4577 23173.5515 0.0000 0.0000 45148.1325 -222459.9375 164.2365 -267608.0701 -222051.5670 164.2365 -1493.0944 -2145.0882 921491.4634 -1493.0944 -2145.0882
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TIMING: 440 CPU: 207.382, 0.459304/step Wall: 207.382, 0.459304/step, 0.00765506 hours remaining, 3224.089844 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 22071.5684 20036.2370 5729.7527 186.7202 -338123.1807 23276.2482 0.0000 0.0000 44417.5461 -222405.1082 161.5788 -266822.6543 -222059.4775 161.5788 -2408.4614 -2197.9672 921491.4634 -2408.4614 -2197.9672
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ENERGY: 442 21853.6117 19664.5345 5729.4854 192.9411 -338090.1530 23327.1565 0.0000 0.0000 44880.6322 -222441.7916 163.2634 -267322.4238 -222049.7758 163.2634 -2710.5576 -2229.0697 921491.4634 -2710.5576 -2229.0697
ENERGY: 443 21064.3314 19487.0717 5727.6164 194.9329 -337369.3147 23320.0155 0.0000 0.0000 45118.1111 -222457.2357 164.1273 -267575.3468 -222048.5999 164.1273 -2448.1648 -2220.3532 921491.4634 -2448.1648 -2220.3532
ENERGY: 444 20449.3361 19357.2684 5725.4095 195.8735 -336464.1921 23301.5273 0.0000 0.0000 44987.7182 -222447.0591 163.6530 -267434.7773 -222057.9801 163.6530 -2090.2100 -2206.4401 921491.4634 -2090.2100 -2206.4401
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ENERGY: 446 19947.6807 19324.9000 5722.5430 194.3235 -335494.5712 23276.0448 0.0000 0.0000 44620.2950 -222408.7842 162.3164 -267029.0791 -222046.1623 162.3164 -1800.7520 -2216.7295 921491.4634 -1800.7520 -2216.7295
ENERGY: 447 19914.2852 19416.0206 5722.2107 191.8641 -335769.4406 23282.7455 0.0000 0.0000 44816.5092 -222425.8053 163.0301 -267242.3145 -222046.8346 163.0301 -1993.3116 -2253.0605 921491.4634 -1993.3116 -2253.0605
ENERGY: 448 20187.5924 19583.6798 5722.5764 188.5554 -336503.1809 23303.8901 0.0000 0.0000 45065.6680 -222451.2188 163.9365 -267516.8868 -222059.3483 163.9365 -2372.1882 -2303.7900 921491.4634 -2372.1882 -2303.7900
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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 21754.4854 20108.1301 5724.4776 181.0897 -338419.3261 23364.6241 0.0000 0.0000 44854.3102 -222432.2089 163.1677 -267286.5191 -222048.7863 163.1677 -3116.6759 -2394.3897 921491.4634 -3116.6759 -2394.3897
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ENERGY: 452 22246.2014 20536.0137 5723.8953 174.8859 -338927.1549 23378.0943 0.0000 0.0000 44452.9202 -222415.1442 161.7075 -266868.0644 -222059.6373 161.7075 -2659.9605 -2384.7568 921491.4634 -2659.9605 -2384.7568
ENERGY: 453 21399.8725 20641.1313 5722.2878 173.1350 -338392.7946 23354.5907 0.0000 0.0000 44683.7039 -222418.0733 162.5470 -267101.7773 -222043.5374 162.5470 -2048.3337 -2342.4668 921491.4634 -2048.3337 -2342.4668
ENERGY: 454 20248.3381 20654.1376 5720.2217 172.3637 -337567.1428 23320.6903 0.0000 0.0000 45008.1470 -222443.2445 163.7273 -267451.3915 -222041.8394 163.7273 -1453.4577 -2293.1450 921491.4634 -1453.4577 -2293.1450
ENERGY: 455 19486.7909 20584.7122 5718.4844 172.5169 -336790.6466 23290.4025 0.0000 0.0000 45086.5791 -222451.1606 164.0126 -267537.7397 -222040.8573 164.0126 -1151.8823 -2255.8571 921491.4634 -1151.8823 -2255.8571
ENERGY: 456 19493.3725 20440.6801 5717.7556 173.4248 -336350.1088 23274.9634 0.0000 0.0000 44811.4726 -222438.4397 163.0118 -267249.9123 -222055.3488 163.0118 -1305.5004 -2245.5822 921491.4634 -1305.5004 -2245.5822
ENERGY: 457 20047.4932 20251.9435 5718.5580 174.9241 -336395.8175 23277.8278 0.0000 0.0000 44521.8706 -222403.2004 161.9583 -266925.0710 -222049.4134 161.9583 -1906.4165 -2263.5012 921491.4634 -1906.4165 -2263.5012
ENERGY: 458 20585.8435 20019.2722 5720.7061 176.6081 -336835.0967 23294.7177 0.0000 0.0000 44632.7890 -222405.1601 162.3618 -267037.9491 -222051.2824 162.3618 -2684.6987 -2301.0425 921491.4634 -2684.6987 -2301.0425
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TIMING: 460 CPU: 216.56, 0.458888/step Wall: 216.56, 0.458888/step, 0.00509876 hours remaining, 3224.089844 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 21262.6140 19597.9061 5728.0971 179.4910 -338014.3772 23341.8008 0.0000 0.0000 45423.8563 -222480.6118 165.2395 -267904.4681 -222064.6837 165.2395 -3669.8200 -2365.2410 921491.4634 -3669.8200 -2365.2410
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ENERGY: 462 22264.2256 19487.8106 5736.4823 180.9531 -337988.7174 23351.1095 0.0000 0.0000 44559.9288 -222408.2076 162.0968 -266968.1364 -222056.7215 162.0968 -2954.8197 -2323.4248 921491.4634 -2954.8197 -2323.4248
ENERGY: 463 21821.1790 19513.9012 5738.9361 181.1160 -337284.1034 23326.9487 0.0000 0.0000 44313.4569 -222388.5654 161.2002 -266702.0223 -222054.6243 161.2002 -2012.4420 -2264.0775 921491.4634 -2012.4420 -2264.0775
ENERGY: 464 20535.2459 19559.9269 5739.2518 181.0096 -336389.3849 23291.1953 0.0000 0.0000 44654.0265 -222428.7289 162.4391 -267082.7554 -222058.5733 162.4391 -1050.9223 -2205.5266 921491.4634 -1050.9223 -2205.5266
ENERGY: 465 19322.7827 19631.8852 5737.2899 180.7155 -335701.1545 23259.7403 0.0000 0.0000 45094.5685 -222474.1724 164.0416 -267568.7408 -222052.9392 164.0416 -512.3343 -2174.4006 921491.4634 -512.3343 -2174.4006
ENERGY: 466 19088.4512 19708.3581 5733.2107 180.2808 -335443.7740 23245.0617 0.0000 0.0000 45020.7904 -222467.6210 163.7733 -267488.4114 -222052.9789 163.7733 -630.3312 -2182.6708 921491.4634 -630.3312 -2182.6708
ENERGY: 467 19841.8071 19783.1743 5727.6704 179.7757 -335721.0967 23249.4544 0.0000 0.0000 44523.6661 -222415.5487 161.9649 -266939.2148 -222054.3499 161.9649 -1393.6028 -2232.5921 921491.4634 -1393.6028 -2232.5921
ENERGY: 468 20761.8482 19845.4944 5721.5090 179.2779 -336451.5680 23265.8140 0.0000 0.0000 44291.6582 -222385.9663 161.1209 -266677.6245 -222056.3590 161.1209 -2508.6711 -2314.1335 921491.4634 -2508.6711 -2314.1335
ENERGY: 469 21236.3016 19910.2024 5715.6824 178.8504 -337458.3217 23284.3977 0.0000 0.0000 44720.3200 -222412.5672 162.6802 -267132.8872 -222046.0750 162.6802 -3596.7403 -2405.7968 921491.4634 -3596.7403 -2405.7968
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 19972.8937 5710.9491 178.5947 -338383.2524 23297.0689 0.0000 0.0000 45346.4572 -222466.1156 164.9579 -267812.5728 -222047.6088 164.9579 -4259.6991 -2477.6826 921491.4634 -4259.6991 -2477.6826
ENERGY: 471 21732.8679 20054.6837 5707.9626 178.5890 -338913.2469 23297.5102 0.0000 0.0000 45471.3365 -222470.2970 165.4122 -267941.6335 -222047.5359 165.4122 -4290.5679 -2504.3170 921491.4634 -4290.5679 -2504.3170
ENERGY: 472 22081.2361 20161.5552 5707.0091 178.9047 -338870.6786 23279.4509 0.0000 0.0000 45028.5297 -222433.9930 163.8014 -267462.5227 -222059.5059 163.8014 -3659.7356 -2479.9179 921491.4634 -3659.7356 -2479.9179
ENERGY: 473 21866.1361 20289.3426 5707.9843 179.6165 -338307.7212 23240.7382 0.0000 0.0000 44634.5176 -222389.3860 162.3681 -267023.9036 -222043.8540 162.3681 -2556.3610 -2408.1653 921491.4634 -2556.3610 -2408.1653
ENERGY: 474 20842.9703 20372.0985 5710.2160 180.7466 -337438.4574 23189.2367 0.0000 0.0000 44733.2310 -222409.9583 162.7272 -267143.1893 -222041.2621 162.7272 -1295.5519 -2316.2724 921491.4634 -1295.5519 -2316.2724
ENERGY: 475 19674.2082 20371.7672 5712.9876 182.2512 -336604.2337 23142.3837 0.0000 0.0000 45070.2141 -222450.4217 163.9531 -267520.6358 -222039.4531 163.9531 -344.6444 -2232.2121 921491.4634 -344.6444 -2232.2121
ENERGY: 476 19235.7865 20282.0273 5715.7683 184.0125 -336100.0928 23115.8486 0.0000 0.0000 45106.0634 -222460.5861 164.0835 -267566.6495 -222053.6138 164.0835 -92.4045 -2183.0648 921491.4634 -92.4045 -2183.0648
ENERGY: 477 19704.7253 20145.9812 5718.4976 185.9230 -336101.8814 23114.2959 0.0000 0.0000 44812.3209 -222420.1374 163.0149 -267232.4583 -222044.8411 163.0149 -667.4942 -2171.8223 921491.4634 -667.4942 -2171.8223
ENERGY: 478 20493.4778 19974.7637 5721.0254 187.7262 -336537.4060 23131.2480 0.0000 0.0000 44627.0335 -222402.1314 162.3409 -267029.1649 -222047.4106 162.3409 -1807.1600 -2198.7951 921491.4634 -1807.1600 -2198.7951
ENERGY: 479 21125.3058 19793.3955 5723.3295 189.2099 -337215.5860 23156.6791 0.0000 0.0000 44802.1580 -222425.5082 162.9779 -267227.6662 -222050.5460 162.9779 -3089.8511 -2246.7912 921491.4634 -3089.8511 -2246.7912
TIMING: 480 CPU: 225.741, 0.459028/step Wall: 225.741, 0.459028/step, 0.00255015 hours remaining, 3224.089844 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0328 19623.1963 5725.3111 190.1901 -337854.6808 23181.5137 0.0000 0.0000 45051.6815 -222458.7553 163.8856 -267510.4369 -222064.6213 163.8856 -4077.7323 -2291.4888 921491.4634 -4077.7323 -2291.4888
ENERGY: 481 22092.4855 19510.0431 5727.0952 190.6351 -338199.2502 23196.7978 0.0000 0.0000 45041.3368 -222440.8566 163.8480 -267482.1934 -222052.5269 163.8480 -4466.2390 -2305.6729 921491.4634 -4466.2390 -2305.6729
ENERGY: 482 22186.3468 19466.6791 5728.4964 190.3598 -338044.5438 23192.7493 0.0000 0.0000 44865.8520 -222414.0604 163.2096 -267279.9124 -222051.4116 163.2096 -4059.3093 -2278.0611 921491.4634 -4059.3093 -2278.0611
ENERGY: 483 21553.1414 19511.5742 5729.5660 189.3227 -337426.2205 23165.8759 0.0000 0.0000 44861.8971 -222414.8433 163.1953 -267276.7404 -222048.7675 163.1953 -2964.1717 -2216.4112 921491.4634 -2964.1717 -2216.4112
ENERGY: 484 20460.8927 19631.1936 5730.2465 187.5455 -336590.8904 23126.1370 0.0000 0.0000 45003.6031 -222451.2720 163.7107 -267454.8751 -222059.8745 163.7107 -1565.2420 -2143.1846 921491.4634 -1565.2420 -2143.1846
ENERGY: 485 19688.7724 19800.2989 5730.5256 185.2458 -335902.5885 23092.8488 0.0000 0.0000 44955.5721 -222449.3249 163.5360 -267404.8970 -222045.9609 163.5360 -422.1566 -2086.8732 921491.4634 -422.1566 -2086.8732
ENERGY: 486 19602.5431 19954.8174 5729.7198 182.4662 -335612.3585 23080.3825 0.0000 0.0000 44645.9111 -222416.5184 162.4096 -267062.4295 -222044.6763 162.4096 87.3183 -2070.0979 921491.4634 87.3183 -2070.0979
ENERGY: 487 19881.0928 20072.0211 5727.4348 179.4360 -335846.4497 23091.0561 0.0000 0.0000 44503.3488 -222392.0602 161.8910 -266895.4090 -222045.2410 161.8910 -192.2343 -2106.8837 921491.4634 -192.2343 -2106.8837
ENERGY: 488 20125.2098 20156.1361 5723.5441 176.4338 -336552.5465 23118.8633 0.0000 0.0000 44827.0551 -222425.3043 163.0685 -267252.3595 -222057.1941 163.0685 -1145.7530 -2194.6675 921491.4634 -1145.7530 -2194.6675
ENERGY: 489 20526.8870 20236.4608 5718.5749 173.8639 -337540.4666 23156.7326 0.0000 0.0000 45266.0999 -222461.8475 164.6656 -267727.9474 -222045.6088 164.6656 -2511.2400 -2316.7062 921491.4634 -2511.2400 -2316.7062
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 20292.9021 5712.8912 171.8438 -338458.1370 23196.4893 0.0000 0.0000 45213.5623 -222459.6995 164.4745 -267673.2618 -222048.2210 164.4745 -3823.4034 -2437.4150 921491.4634 -3823.4034 -2437.4150
ENERGY: 491 22430.4638 20312.1359 5707.3795 170.5404 -338984.5803 23226.0952 0.0000 0.0000 44733.0084 -222404.9570 162.7264 -267137.9655 -222049.4640 162.7264 -4629.6929 -2524.6211 921491.4634 -4629.6929 -2524.6211
ENERGY: 492 22612.9544 20289.6809 5702.9944 170.0208 -338937.5825 23232.7220 0.0000 0.0000 44542.1949 -222387.0151 162.0323 -266929.2100 -222060.3860 162.0323 -4606.8519 -2557.4725 921491.4634 -4606.8519 -2557.4725
ENERGY: 493 21558.2185 20260.7373 5700.7779 170.3201 -338358.0645 23214.0551 0.0000 0.0000 45033.8231 -222420.1326 163.8207 -267453.9557 -222046.5901 163.8207 -3796.3814 -2540.0992 921491.4634 -3796.3814 -2540.0992
ENERGY: 494 20068.3366 20225.0260 5700.9806 171.2193 -337454.3850 23183.0810 0.0000 0.0000 45622.2476 -222483.4939 165.9612 -268105.7416 -222044.0868 165.9612 -2500.8988 -2482.1065 921491.4634 -2500.8988 -2482.1065
ENERGY: 495 19383.2467 20186.8300 5703.5926 172.5416 -336566.9905 23159.4640 0.0000 0.0000 45484.1231 -222477.1925 165.4587 -267961.3156 -222041.5563 165.4587 -1249.6834 -2407.3052 921491.4634 -1249.6834 -2407.3052
ENERGY: 496 19722.4839 20130.6472 5708.0350 174.0933 -335998.7177 23154.2650 0.0000 0.0000 44699.5272 -222409.6661 162.6046 -267109.1933 -222049.0671 162.6046 -478.8996 -2343.4748 921491.4634 -478.8996 -2343.4748
ENERGY: 497 20212.6671 20059.9177 5713.4613 175.7242 -335952.5065 23166.3560 0.0000 0.0000 44261.0293 -222363.3511 161.0095 -266624.3804 -222042.7501 161.0095 -421.0230 -2316.7925 921491.4634 -421.0230 -2316.7925
ENERGY: 498 20182.0165 19957.1216 5718.5597 177.2604 -336366.4957 23189.3599 0.0000 0.0000 44728.2541 -222413.9234 162.7091 -267142.1776 -222044.5220 162.7091 -993.4677 -2331.6470 921491.4634 -993.4677 -2331.6470
ENERGY: 499 20158.0679 19847.7309 5722.4089 178.6361 -337058.4848 23219.2418 0.0000 0.0000 45439.2652 -222493.1340 165.2956 -267932.3991 -222047.2063 165.2956 -2020.8685 -2376.3387 921491.4634 -2020.8685 -2376.3387
Info: Benchmark time: 4 CPUs 0.458392 s/step 5.30547 days/ns 3224.09 MB memory
TIMING: 500 CPU: 234.844, 0.45517/step Wall: 234.844, 0.45517/step, 0 hours remaining, 3224.089844 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8938 19756.6585 5724.4523 179.8271 -337741.4219 23251.1023 0.0000 0.0000 45359.0785 -222495.4094 165.0039 -267854.4879 -222061.0912 165.0039 -3197.5164 -2425.4138 921491.4634 -3197.5164 -2425.4138
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, 3229.539 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.539 MB of memory in use
====================================================
WallClock: 241.982819 CPUTime: 241.982819 Memory: 3229.539062 MB
[Partition 0][Node 0] End of program
Application 1111568 resources: utime ~951s, stime ~19s, Rss ~127048, inblocks ~66551, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.982819
CPU=241.982819
MEM=3229.539062
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 19 14:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 19 14:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 19 14:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 19 14:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189497 Dec 19 14:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505293 Dec 19 14:46 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 19 14:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 19 14:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 19 14:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 19 14:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 19 14:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 19 14:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 19 14:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 19 14:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 19 14:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 19 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/jenkins12894696271937178226.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}
