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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 ============== 54.2829
LDB: Largest compute 200 load 0.431967 is 1.2% of average load 36.848473
LDB: Average compute 0.051618 is 0.1% of average load 36.848473
LDB: Partitioning computes with target load 3.684847
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055376
LDB: ============== END OF LOAD BALANCING =============== 54.2851
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2859
Info: Initial time: 4 CPUs 0.474252 s/step 5.48903 days/ns 3221.46 MB memory
TIMING: 100 CPU: 48.3975, 0.473249/step Wall: 48.3975, 0.473249/step, 0.0525833 hours remaining, 3221.457031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 63.7316
LDB: ============== END OF LOAD BALANCING =============== 63.7317
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7322
TIMING: 120 CPU: 57.8435, 0.472299/step Wall: 57.8435, 0.472299/step, 0.0498538 hours remaining, 3221.636719 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 21874.8524 19195.4801 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9639 -222340.8740 155.6399 -265125.8379 -222213.1816 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.2818, 0.471914/step Wall: 67.2818, 0.471914/step, 0.0471914 hours remaining, 3221.820312 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: 76.7096, 0.471394/step Wall: 76.7096, 0.471394/step, 0.0445206 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: 180 CPU: 86.1299, 0.471015/step Wall: 86.1299, 0.471015/step, 0.041868 hours remaining, 3222.125000 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 186 19266.0405 19234.9571 5686.4352 181.9571 -332240.0938 21043.7459 0.0000 0.0000 44391.5887 -222435.3691 161.4844 -266826.9578 -222129.2888 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4304 5678.7398 184.6336 -333156.1127 21076.9265 0.0000 0.0000 42449.0056 -222222.0801 154.4178 -264671.0857 -222130.9080 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 198 21224.0061 18800.3006 5711.3574 186.3640 -333385.4999 21161.1533 0.0000 0.0000 43911.2863 -222391.0322 159.7372 -266302.3185 -222090.4393 159.7372 -4381.6809 -2646.7679 921491.4634 -4381.6809 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.436
LDB: Largest compute 200 load 0.425802 is 1.2% of average load 36.667626
LDB: Average compute 0.051362 is 0.1% of average load 36.667626
LDB: TIME 101.438 LOAD: AVG 36.6676 MAX 37.704 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.47 MB
LDB: TIME 101.44 LOAD: AVG 36.6676 MAX 37.5489 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.47 MB
LDB: ============== END OF LOAD BALANCING =============== 101.442
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.445
Info: Initial time: 4 CPUs 0.471428 s/step 5.45634 days/ns 3223.84 MB memory
TIMING: 200 CPU: 95.5502, 0.471014/step Wall: 95.5502, 0.471014/step, 0.0392511 hours remaining, 3223.839844 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 203 20743.8944 19130.0391 5729.2400 192.0764 -333501.9374 21215.8253 0.0000 0.0000 44059.6987 -222431.1636 160.2771 -266490.8623 -222093.6428 160.2771 -1046.8257 -2512.4436 921491.4634 -1046.8257 -2512.4436
ENERGY: 204 17862.6123 19486.9557 5734.1463 191.2124 -332722.2202 21188.8402 0.0000 0.0000 45629.4720 -222628.9813 165.9875 -268258.4533 -222116.7005 165.9875 452.9933 -2462.2931 921491.4634 452.9933 -2462.2931
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ENERGY: 208 20293.2704 20371.8904 5718.1572 182.8654 -334789.2379 21322.2409 0.0000 0.0000 44428.6270 -222472.1867 161.6191 -266900.8137 -222122.6315 161.6191 -3669.0644 -2719.7952 921491.4634 -3669.0644 -2719.7952
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1736 20194.2568 5705.3139 178.4614 -336615.7769 21385.1095 0.0000 0.0000 45251.4334 -222516.0282 164.6123 -267767.4616 -222108.2017 164.6123 -6091.3664 -2896.2627 921491.4634 -6091.3664 -2896.2627
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ENERGY: 212 23739.2708 19730.8221 5710.0295 176.0352 -336013.6224 21412.5982 0.0000 0.0000 42995.1638 -222249.7026 156.4046 -265244.8665 -222104.2319 156.4046 -4424.1002 -2820.3211 921491.4634 -4424.1002 -2820.3211
ENERGY: 213 20150.2159 19524.5247 5720.1722 175.9508 -334874.6440 21380.5551 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2253 -222097.3835 165.2210 -2174.3116 -2725.0841 921491.4634 -2174.3116 -2725.0841
ENERGY: 214 17315.5528 19421.7447 5733.3059 176.6827 -333645.3933 21358.4485 0.0000 0.0000 46958.4702 -222681.1885 170.8220 -269639.6587 -222093.7407 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5055 19441.9742 5746.5772 178.1492 -332787.3319 21379.5596 0.0000 0.0000 45302.6745 -222527.8916 164.7987 -267830.5661 -222091.0447 164.7987 784.0016 -2554.0368 921491.4634 784.0016 -2554.0368
ENERGY: 216 20973.4717 19522.5061 5756.9571 180.1770 -332560.1060 21436.4836 0.0000 0.0000 42442.1787 -222248.3318 154.3930 -264690.5105 -222073.6156 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3867 19581.4820 5762.2416 182.5517 -333010.6757 21497.2706 0.0000 0.0000 41983.6750 -222225.0682 152.7251 -264208.7432 -222064.4464 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9158 19540.0891 5761.2415 184.9927 -333856.1147 21546.6561 0.0000 0.0000 44178.6836 -222478.5360 160.7099 -266657.2196 -222068.8155 160.7099 -2628.0653 -2703.9746 921491.4634 -2628.0653 -2703.9746
ENERGY: 219 19429.8641 19413.3931 5754.3577 187.2447 -334778.0709 21596.8809 0.0000 0.0000 45751.9297 -222644.4007 166.4329 -268396.3304 -222073.1720 166.4329 -4457.7333 -2810.5236 921491.4634 -4457.7333 -2810.5236
TIMING: 220 CPU: 104.975, 0.471257/step Wall: 104.975, 0.471257/step, 0.0366534 hours remaining, 3223.839844 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: 114.392, 0.470815/step Wall: 114.392, 0.470815/step, 0.0340033 hours remaining, 3223.839844 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 -334213.1205 21705.0850 0.0000 0.0000 43600.4181 -222284.3178 158.6063 -265884.7359 -222067.4295 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5287 19979.6440 5712.7400 177.5412 -334802.1841 21719.8454 0.0000 0.0000 44912.1911 -222431.6937 163.3782 -267343.8848 -222068.1394 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4925 20164.4295 5713.8450 181.3144 -335623.1351 21746.4310 0.0000 0.0000 46185.9362 -222595.6865 168.0117 -268781.6227 -222090.3127 168.0117 -1359.1246 -2608.3066 921491.4634 -1359.1246 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9040 20013.1597 5733.2541 193.8023 -336093.2674 21826.9295 0.0000 0.0000 43905.3721 -222425.8457 159.7157 -266331.2178 -222091.3306 159.7157 -3843.4681 -2758.0338 921491.4634 -3843.4681 -2758.0338
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ENERGY: 256 20899.4410 18950.9578 5693.4518 195.6570 -332975.5972 21757.6847 0.0000 0.0000 43181.1612 -222297.2437 157.0812 -265478.4048 -222071.2738 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
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ENERGY: 258 19453.5867 18882.0667 5673.2911 193.6684 -334373.1544 21817.5077 0.0000 0.0000 45796.2578 -222556.7761 166.5942 -268353.0339 -222062.0607 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 123.797, 0.470279/step Wall: 123.797, 0.470279/step, 0.0313519 hours remaining, 3223.839844 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 20140.5622 5703.8103 187.9445 -335614.9715 21924.4740 0.0000 0.0000 45349.7771 -222527.2806 164.9700 -267877.0577 -222051.1550 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2261 20436.4306 5710.6950 187.5052 -334855.9512 21907.7772 0.0000 0.0000 44751.4783 -222476.8388 162.7936 -267228.3171 -222069.1983 162.7936 -2191.1927 -2723.5293 921491.4634 -2191.1927 -2723.5293
ENERGY: 265 19946.8416 20681.9925 5713.6241 187.4392 -334395.6632 21906.0163 0.0000 0.0000 43607.6373 -222352.1121 158.6326 -265959.7494 -222054.3372 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7899 20788.8700 5712.1327 187.6137 -334399.4577 21914.4805 0.0000 0.0000 43399.3796 -222348.1912 157.8750 -265747.5708 -222054.3635 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0906 20691.2677 5707.0583 187.8501 -334831.4854 21930.8374 0.0000 0.0000 44220.2168 -222446.1646 160.8610 -266666.3814 -222055.6585 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9160 20375.7514 5700.1930 187.9286 -335513.7448 21959.1257 0.0000 0.0000 44823.5376 -222504.2924 163.0557 -267327.8300 -222075.9875 163.0557 -2903.2124 -2658.6181 921491.4634 -2903.2124 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1933 19450.9166 5690.3173 187.1618 -336650.6773 22028.8071 0.0000 0.0000 44308.0075 -222365.2738 161.1804 -266673.2812 -222067.0434 161.1804 -3583.3633 -2617.7582 921491.4634 -3583.3633 -2617.7582
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ENERGY: 272 21021.5583 18896.0661 5692.8269 184.9335 -335921.4613 22015.0580 0.0000 0.0000 45607.7076 -222503.3109 165.9083 -268111.0185 -222081.1571 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7011 21985.5296 0.0000 0.0000 45502.7160 -222499.9694 165.5264 -268002.6855 -222069.0458 165.5264 -1837.1975 -2434.6760 921491.4634 -1837.1975 -2434.6760
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ENERGY: 276 19401.8502 19594.7509 5701.2547 182.4904 -333292.1283 21971.0410 0.0000 0.0000 44028.5272 -222412.2139 160.1637 -266440.7412 -222072.9394 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2972 19724.7161 5695.5210 182.9396 -333864.3456 21997.2387 0.0000 0.0000 44632.8113 -222481.8217 162.3619 -267114.6330 -222061.0987 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4577 19713.7761 5686.9122 183.6585 -334821.1006 22041.3359 0.0000 0.0000 44532.2542 -222463.7060 161.9961 -266995.9602 -222063.4130 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3650 19593.9432 5677.5176 184.5187 -335888.5803 22096.4199 0.0000 0.0000 43975.0881 -222376.7278 159.9693 -266351.8159 -222065.2023 159.9693 -4044.3212 -2682.8389 921491.4634 -4044.3212 -2682.8389
TIMING: 280 CPU: 133.188, 0.469531/step Wall: 133.188, 0.469531/step, 0.0286935 hours remaining, 3223.839844 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 19615.5381 5669.9796 186.8360 -336942.5036 22176.7655 0.0000 0.0000 45823.3371 -222526.2576 166.6927 -268349.5947 -222063.3315 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
ENERGY: 283 20432.1061 19966.6616 5678.8137 187.1634 -336251.9202 22171.0648 0.0000 0.0000 45328.8520 -222487.2586 164.8939 -267816.1106 -222060.8458 164.8939 -2008.7736 -2748.2306 921491.4634 -2008.7736 -2748.2306
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ENERGY: 285 20203.3288 20789.9629 5707.3565 186.7145 -334827.1966 22167.0166 0.0000 0.0000 43418.2630 -222354.5544 157.9437 -265772.8174 -222053.5966 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6309 20966.5621 5721.5031 185.8229 -334658.1148 22176.6863 0.0000 0.0000 43785.6882 -222425.2212 159.2803 -266210.9093 -222054.0582 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1190 20856.7821 5731.9346 184.4714 -334918.1478 22200.2910 0.0000 0.0000 44282.9438 -222485.6059 161.0892 -266768.5497 -222055.7253 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2088 20475.2849 5736.9558 182.7335 -335468.3143 22237.9037 0.0000 0.0000 44116.9905 -222455.2372 160.4855 -266572.2277 -222066.9050 160.4855 -3310.5878 -2790.1552 921491.4634 -3310.5878 -2790.1552
ENERGY: 289 21886.4834 19928.6976 5736.1905 180.7560 -336126.9117 22279.0690 0.0000 0.0000 43733.4513 -222382.2638 159.0903 -266115.7151 -222062.2721 159.0903 -4368.9813 -2809.8748 921491.4634 -4368.9813 -2809.8748
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 290 22615.9845 19325.5264 5730.3279 178.6973 -336571.4568 22308.2175 0.0000 0.0000 44027.4234 -222385.2799 160.1597 -266412.7033 -222063.4680 160.1597 -4815.3285 -2796.0389 921491.4634 -4815.3285 -2796.0389
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LDB: ============= START OF LOAD BALANCING ============== 148.489
LDB: Largest compute 200 load 0.521222 is 1.1% of average load 45.815715
LDB: Average compute 0.064183 is 0.1% of average load 45.815715
LDB: TIME 148.491 LOAD: AVG 45.8157 MAX 47.0435 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.19 MB
LDB: TIME 148.491 LOAD: AVG 45.8157 MAX 47.0435 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.19 MB
LDB: TIME 148.505 LOAD: AVG 45.8157 MAX 46.3353 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.19 MB
LDB: ============== END OF LOAD BALANCING =============== 148.506
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.508
Info: Initial time: 4 CPUs 0.470145 s/step 5.44149 days/ns 3224.19 MB memory
TIMING: 300 CPU: 142.584, 0.469795/step Wall: 142.584, 0.469795/step, 0.0260997 hours remaining, 3224.191406 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: 302 21723.0647 20395.7909 5720.2599 184.8676 -337483.0155 22416.9292 0.0000 0.0000 44599.2671 -222442.8361 162.2399 -267042.1032 -222057.3400 162.2399 -3958.8649 -2554.2736 921491.4634 -3958.8649 -2554.2736
ENERGY: 303 21512.5328 20430.0801 5712.5286 185.2198 -336784.9551 22409.2049 0.0000 0.0000 44154.6910 -222380.6979 160.6226 -266535.3889 -222054.2089 160.6226 -2717.2719 -2487.9822 921491.4634 -2717.2719 -2487.9822
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ENERGY: 307 19699.8290 19880.2868 5712.8835 184.6555 -334994.2778 22404.6079 0.0000 0.0000 44676.1363 -222435.8788 162.5195 -267112.0152 -222050.4564 162.5195 -686.7124 -2362.0196 921491.4634 -686.7124 -2362.0196
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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: 151.816, 0.461623/step Wall: 151.816, 0.461623/step, 0.0230811 hours remaining, 3224.191406 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 20957.0457 5696.1855 180.4970 -337965.9627 22565.0703 0.0000 0.0000 43989.5238 -222398.6336 160.0218 -266388.1574 -222063.6575 160.0218 -4596.8829 -2640.5012 921491.4634 -4596.8829 -2640.5012
ENERGY: 323 21976.7005 21085.8079 5695.4506 181.8003 -337194.0742 22550.8103 0.0000 0.0000 43361.4902 -222342.0145 157.7372 -265703.5046 -222061.4464 157.7372 -3808.3605 -2616.6944 921491.4634 -3808.3605 -2616.6944
ENERGY: 324 20558.5069 20952.0212 5690.8582 183.3007 -336170.3973 22520.5741 0.0000 0.0000 43857.2499 -222407.8864 159.5406 -266265.1362 -222068.7483 159.5406 -2506.6899 -2573.6930 921491.4634 -2506.6899 -2573.6930
ENERGY: 325 19096.1752 20584.7376 5683.7433 184.8441 -335297.0510 22494.0544 0.0000 0.0000 44763.3954 -222490.1011 162.8369 -267253.4964 -222060.9513 162.8369 -1264.0244 -2529.6545 921491.4634 -1264.0244 -2529.6545
ENERGY: 326 18959.6360 20052.8002 5675.9627 186.2078 -334820.0101 22490.4168 0.0000 0.0000 44971.8223 -222483.1642 163.5951 -267454.9865 -222059.6109 163.5951 -572.2140 -2503.0558 921491.4634 -572.2140 -2503.0558
ENERGY: 327 20020.7819 19506.2793 5669.7116 187.2139 -334851.2527 22513.0145 0.0000 0.0000 44550.7425 -222403.5090 162.0634 -266954.2515 -222059.8761 162.0634 -657.4990 -2506.5013 921491.4634 -657.4990 -2506.5013
ENERGY: 328 20934.1978 19092.0091 5666.7484 187.7399 -335303.4709 22549.7453 0.0000 0.0000 44493.2356 -222379.7949 161.8542 -266873.0304 -222061.7260 161.8542 -1393.2038 -2547.3519 921491.4634 -1393.2038 -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 19127.9134 19639.0995 5698.6022 180.2744 -334271.7860 22519.6999 0.0000 0.0000 44649.6651 -222456.5316 162.4232 -267106.1967 -222055.6202 162.4232 -1093.5005 -2488.8703 921491.4634 -1093.5005 -2488.8703
ENERGY: 337 20420.1633 19649.7064 5693.3319 179.7347 -334824.3563 22536.4224 0.0000 0.0000 43995.6000 -222349.3977 160.0439 -266344.9977 -222040.1025 160.0439 -1064.7183 -2460.5860 921491.4634 -1064.7183 -2460.5860
ENERGY: 338 21007.5746 19722.4645 5687.5590 179.5437 -335808.8626 22564.1945 0.0000 0.0000 44285.9173 -222361.6089 161.1000 -266647.5262 -222041.5959 161.1000 -1500.9499 -2462.8576 921491.4634 -1500.9499 -2462.8576
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TIMING: 340 CPU: 161.041, 0.461221/step Wall: 161.041, 0.461221/step, 0.0204987 hours remaining, 3224.191406 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: 342 22895.9214 20582.1011 5689.2420 181.0293 -337942.4477 22653.2573 0.0000 0.0000 43612.4991 -222328.3975 158.6503 -265940.8966 -222054.3602 158.6503 -3711.7546 -2460.9854 921491.4634 -3711.7546 -2460.9854
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ENERGY: 344 19898.5081 20447.2065 5699.9573 182.0106 -336095.2675 22596.5930 0.0000 0.0000 44790.9364 -222480.0555 162.9371 -267270.9920 -222071.3574 162.9371 -2338.1159 -2329.7491 921491.4634 -2338.1159 -2329.7491
ENERGY: 345 18694.7359 20199.0880 5702.3270 182.4513 -335224.1272 22568.7539 0.0000 0.0000 45351.4661 -222525.3051 164.9762 -267876.7712 -222058.0551 164.9762 -1576.2388 -2261.7958 921491.4634 -1576.2388 -2261.7958
ENERGY: 346 19350.9889 19892.9540 5701.0894 182.7368 -334783.0718 22565.1339 0.0000 0.0000 44652.5019 -222437.6669 162.4335 -267090.1688 -222056.8252 162.4335 -1239.3019 -2211.7779 921491.4634 -1239.3019 -2211.7779
ENERGY: 347 20669.8294 19583.9408 5696.3950 182.8447 -334881.4382 22581.1984 0.0000 0.0000 43831.1328 -222336.0971 159.4456 -266167.2299 -222056.9469 159.4456 -1358.8143 -2194.9210 921491.4634 -1358.8143 -2194.9210
ENERGY: 348 21062.2471 19315.9902 5689.3479 182.7918 -335425.6670 22604.2203 0.0000 0.0000 44195.9876 -222375.0821 160.7729 -266571.0697 -222064.0949 160.7729 -1766.2765 -2218.9157 921491.4634 -1766.2765 -2218.9157
ENERGY: 349 20718.9516 19143.3230 5681.9008 182.6959 -336197.3785 22630.4376 0.0000 0.0000 45349.6294 -222490.4401 164.9695 -267840.0696 -222056.3110 164.9695 -2336.6406 -2270.6249 921491.4634 -2336.6406 -2270.6249
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 350 21009.3452 19066.8675 5675.7227 182.5405 -336836.8358 22661.9756 0.0000 0.0000 45710.0736 -222530.3107 166.2807 -268240.3843 -222058.0878 166.2807 -2896.5509 -2326.8867 921491.4634 -2896.5509 -2326.8867
ENERGY: 351 22235.3180 19085.8714 5672.3994 182.3762 -337072.3451 22693.2959 0.0000 0.0000 44770.4137 -222432.6705 162.8625 -267203.0842 -222058.6357 162.8625 -3254.0186 -2369.0507 921491.4634 -3254.0186 -2369.0507
ENERGY: 352 22912.9249 19180.1282 5672.7330 182.2243 -336794.7861 22708.6921 0.0000 0.0000 43795.3993 -222342.6842 159.3156 -266138.0835 -222059.3898 159.3156 -3190.0137 -2394.0289 921491.4634 -3190.0137 -2394.0289
ENERGY: 353 21825.9776 19344.0938 5676.6445 182.1014 -336147.6553 22699.4234 0.0000 0.0000 44043.1856 -222376.2291 160.2170 -266419.4147 -222047.6762 160.2170 -2709.1542 -2407.4663 921491.4634 -2709.1542 -2407.4663
ENERGY: 354 19814.0382 19544.5093 5682.7361 181.9868 -335375.1826 22676.8667 0.0000 0.0000 44983.0757 -222491.9699 163.6361 -267475.0456 -222046.2242 163.6361 -2040.9898 -2415.4741 921491.4634 -2040.9898 -2415.4741
ENERGY: 355 18879.8417 19773.7510 5689.2466 181.9196 -334823.9959 22664.4421 0.0000 0.0000 45120.2678 -222514.5271 164.1351 -267634.7949 -222044.8382 164.1351 -1600.3168 -2424.6827 921491.4634 -1600.3168 -2424.6827
ENERGY: 356 19622.4369 20015.8111 5694.4280 181.9402 -334758.7694 22674.4079 0.0000 0.0000 44153.0885 -222416.6567 160.6168 -266569.7452 -222053.0963 160.6168 -1622.0263 -2446.8266 921491.4634 -1622.0263 -2446.8266
ENERGY: 357 20687.2711 20255.1057 5697.1708 182.0215 -335288.0648 22700.2949 0.0000 0.0000 43438.0177 -222328.1832 158.0156 -265766.2009 -222042.2331 158.0156 -2061.3606 -2486.6663 921491.4634 -2061.3606 -2486.6663
ENERGY: 358 20785.4066 20424.8431 5696.9833 182.1295 -336225.9481 22730.2419 0.0000 0.0000 44019.5821 -222386.7617 160.1311 -266406.3438 -222043.9946 160.1311 -2636.8581 -2541.3593 921491.4634 -2636.8581 -2541.3593
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TIMING: 360 CPU: 170.259, 0.460942/step Wall: 170.259, 0.460942/step, 0.0179255 hours remaining, 3224.191406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 378 20473.8100 20495.6596 5711.4639 183.2952 -336584.2281 22821.5839 0.0000 0.0000 44474.7535 -222423.6620 161.7869 -266898.4155 -222044.3966 161.7869 -2972.9872 -2523.3497 921491.4634 -2972.9872 -2523.3497
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TIMING: 380 CPU: 179.474, 0.460708/step Wall: 179.474, 0.460708/step, 0.0153569 hours remaining, 3224.191406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 386 19981.2271 19220.9463 5707.6638 175.9385 -334865.1814 22880.7958 0.0000 0.0000 44519.8584 -222378.7516 161.9510 -266898.6100 -222051.0437 161.9510 122.6670 -2011.2428 921491.4634 122.6670 -2011.2428
ENERGY: 387 20367.2859 19202.4843 5710.9355 174.6759 -335109.8722 22905.2744 0.0000 0.0000 44377.1813 -222372.0349 161.4320 -266749.2162 -222053.0050 161.4320 -738.9585 -2019.1689 921491.4634 -738.9585 -2019.1689
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 194.613
LDB: Largest compute 230 load 0.522585 is 1.1% of average load 45.721709
LDB: Average compute 0.064028 is 0.1% of average load 45.721709
LDB: TIME 194.615 LOAD: AVG 45.7217 MAX 46.1053 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.19 MB
LDB: TIME 194.615 LOAD: AVG 45.7217 MAX 46.1053 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.19 MB
LDB: TIME 194.616 LOAD: AVG 45.7217 MAX 46.1053 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.19 MB
LDB: ============== END OF LOAD BALANCING =============== 194.616
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.617
Info: Benchmark time: 4 CPUs 0.461006 s/step 5.33571 days/ns 3224.19 MB memory
TIMING: 400 CPU: 188.688, 0.46074/step Wall: 188.688, 0.46074/step, 0.0127983 hours remaining, 3224.191406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 403 20784.9698 19778.4826 5715.7218 174.2695 -337239.9786 23077.8401 0.0000 0.0000 45225.5968 -222483.0981 164.5183 -267708.6948 -222046.6851 164.5183 -3613.5980 -2605.7429 921491.4634 -3613.5980 -2605.7429
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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 19942.3167 20661.9898 5710.0857 195.6953 -336157.5861 23063.1716 0.0000 0.0000 44200.2850 -222384.0419 160.7885 -266584.3269 -222052.9642 160.7885 -282.7612 -2224.6897 921491.4634 -282.7612 -2224.6897
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ENERGY: 418 20154.6647 20457.0910 5705.5847 188.6536 -336970.7866 23098.6727 0.0000 0.0000 44915.1421 -222450.9776 163.3889 -267366.1197 -222046.7091 163.3889 -671.8544 -2269.9921 921491.4634 -671.8544 -2269.9921
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TIMING: 420 CPU: 197.875, 0.459344/step Wall: 197.875, 0.459344/step, 0.0102076 hours remaining, 3224.191406 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 20140.4227 19760.4173 5710.4628 168.5259 -336199.9855 23087.7680 0.0000 0.0000 44884.2596 -222448.1293 163.2766 -267332.3889 -222058.0545 163.2766 -935.5729 -2206.9583 921491.4634 -935.5729 -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 22013.9872 20024.3740 5712.1700 168.1897 -338096.9211 23149.4496 0.0000 0.0000 44626.3103 -222402.4402 162.3383 -267028.7505 -222047.3911 162.3383 -2472.2456 -2268.0464 921491.4634 -2472.2456 -2268.0464
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ENERGY: 432 21768.3707 20188.6727 5710.3547 168.1086 -338651.2110 23176.0849 0.0000 0.0000 45177.9912 -222461.6283 164.3451 -267639.6195 -222065.9056 164.3451 -3350.2744 -2296.1497 921491.4634 -3350.2744 -2296.1497
ENERGY: 433 21200.9075 20275.9666 5710.3763 168.4633 -338164.0645 23162.2914 0.0000 0.0000 45192.9286 -222453.1309 164.3995 -267646.0594 -222052.5980 164.3995 -3187.3734 -2272.1275 921491.4634 -3187.3734 -2272.1275
ENERGY: 434 20730.3413 20338.1501 5711.6061 169.3247 -337394.2710 23140.7739 0.0000 0.0000 44883.1001 -222420.9749 163.2724 -267304.0750 -222051.1460 163.2724 -2694.3108 -2227.7884 921491.4634 -2694.3108 -2227.7884
ENERGY: 435 20235.2199 20362.4016 5714.0003 170.8455 -336680.6559 23123.4101 0.0000 0.0000 44675.9843 -222398.7942 162.5190 -267074.7785 -222049.5886 162.5190 -2061.3581 -2179.8950 921491.4634 -2061.3581 -2179.8950
ENERGY: 436 19670.9241 20349.9981 5717.2345 173.0864 -336303.8813 23119.9082 0.0000 0.0000 44847.0987 -222425.6311 163.1414 -267272.7299 -222059.6954 163.1414 -1520.6594 -2145.1615 921491.4634 -1520.6594 -2145.1615
ENERGY: 437 19434.5516 20329.5091 5720.9894 175.9827 -336411.9785 23136.3872 0.0000 0.0000 45159.2691 -222455.2895 164.2770 -267614.5585 -222050.7497 164.2770 -1319.1164 -2134.4846 921491.4634 -1319.1164 -2134.4846
ENERGY: 438 19935.1533 20278.6094 5724.6884 179.3848 -336899.4577 23173.5524 0.0000 0.0000 45148.1328 -222459.9367 164.2365 -267608.0695 -222051.5662 164.2365 -1493.0937 -2145.0879 921491.4634 -1493.0937 -2145.0879
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TIMING: 440 CPU: 207.055, 0.458966/step Wall: 207.055, 0.458966/step, 0.00764943 hours remaining, 3224.191406 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 22071.5685 20036.2370 5729.7527 186.7201 -338123.1815 23276.2491 0.0000 0.0000 44417.5464 -222405.1077 161.5788 -266822.6541 -222059.4771 161.5788 -2408.4613 -2197.9671 921491.4634 -2408.4613 -2197.9671
ENERGY: 441 22355.5490 19860.0408 5730.3488 190.1145 -338361.1725 23313.2050 0.0000 0.0000 44502.6968 -222409.2177 161.8886 -266911.9145 -222050.0858 161.8886 -2716.1030 -2221.5314 921491.4634 -2716.1030 -2221.5314
ENERGY: 442 21853.6123 19664.5348 5729.4854 192.9411 -338090.1543 23327.1573 0.0000 0.0000 44880.6322 -222441.7912 163.2634 -267322.4234 -222049.7753 163.2634 -2710.5579 -2229.0696 921491.4634 -2710.5579 -2229.0696
ENERGY: 443 21064.3320 19487.0722 5727.6165 194.9329 -337369.3160 23320.0163 0.0000 0.0000 45118.1109 -222457.2352 164.1273 -267575.3462 -222048.5994 164.1273 -2448.1651 -2220.3531 921491.4634 -2448.1651 -2220.3531
ENERGY: 444 20449.3365 19357.2689 5725.4095 195.8735 -336464.1932 23301.5281 0.0000 0.0000 44987.7180 -222447.0588 163.6530 -267434.7768 -222057.9797 163.6530 -2090.2101 -2206.4400 921491.4634 -2090.2101 -2206.4400
ENERGY: 445 20125.5608 19307.2517 5723.6513 195.6942 -335759.3924 23283.8144 0.0000 0.0000 44708.7157 -222414.7042 162.6380 -267123.4199 -222046.5428 162.6380 -1846.9626 -2201.6926 921491.4634 -1846.9626 -2201.6926
ENERGY: 446 19947.6805 19324.9006 5722.5430 194.3235 -335494.5718 23276.0456 0.0000 0.0000 44620.2947 -222408.7839 162.3164 -267029.0786 -222046.1620 162.3164 -1800.7517 -2216.7294 921491.4634 -1800.7517 -2216.7294
ENERGY: 447 19914.2849 19416.0211 5722.2107 191.8641 -335769.4409 23282.7463 0.0000 0.0000 44816.5088 -222425.8050 163.0301 -267242.3138 -222046.8343 163.0301 -1993.3110 -2253.0603 921491.4634 -1993.3110 -2253.0603
ENERGY: 448 20187.5922 19583.6801 5722.5765 188.5554 -336503.1808 23303.8909 0.0000 0.0000 45065.6675 -222451.2182 163.9365 -267516.8857 -222059.3478 163.9365 -2372.1875 -2303.7897 921491.4634 -2372.1875 -2303.7897
ENERGY: 449 20877.4060 19832.6987 5723.5713 184.8596 -337500.9080 23334.5928 0.0000 0.0000 45101.1680 -222446.6116 164.0657 -267547.7796 -222047.7096 164.0657 -2827.1078 -2356.1405 921491.4634 -2827.1078 -2356.1405
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 -338419.3259 23364.6248 0.0000 0.0000 44854.3098 -222432.2083 163.1677 -267286.5181 -222048.7858 163.1677 -3116.6755 -2394.3894 921491.4634 -3116.6755 -2394.3894
ENERGY: 451 22355.5905 20357.7256 5724.7144 177.6517 -338952.0918 23381.8012 0.0000 0.0000 44542.6987 -222411.9097 162.0341 -266954.6084 -222048.8243 162.0341 -3074.2533 -2405.7796 921491.4634 -3074.2533 -2405.7796
ENERGY: 452 22246.2019 20536.0135 5723.8953 174.8859 -338927.1547 23378.0949 0.0000 0.0000 44452.9195 -222415.1437 161.7075 -266868.0632 -222059.6368 161.7075 -2659.9606 -2384.7566 921491.4634 -2659.9606 -2384.7566
ENERGY: 453 21399.8730 20641.1311 5722.2879 173.1350 -338392.7943 23354.5913 0.0000 0.0000 44683.7033 -222418.0727 162.5470 -267101.7761 -222043.5369 162.5470 -2048.3339 -2342.4666 921491.4634 -2048.3339 -2342.4666
ENERGY: 454 20248.3383 20654.1373 5720.2218 172.3637 -337567.1423 23320.6907 0.0000 0.0000 45008.1466 -222443.2439 163.7273 -267451.3905 -222041.8389 163.7273 -1453.4578 -2293.1448 921491.4634 -1453.4578 -2293.1448
ENERGY: 455 19486.7907 20584.7120 5718.4844 172.5169 -336790.6459 23290.4029 0.0000 0.0000 45086.5789 -222451.1601 164.0126 -267537.7390 -222040.8567 164.0126 -1151.8822 -2255.8569 921491.4634 -1151.8822 -2255.8569
ENERGY: 456 19493.3722 20440.6800 5717.7556 173.4248 -336350.1083 23274.9637 0.0000 0.0000 44811.4725 -222438.4395 163.0118 -267249.9120 -222055.3485 163.0118 -1305.5002 -2245.5822 921491.4634 -1305.5002 -2245.5822
ENERGY: 457 20047.4929 20251.9434 5718.5580 174.9241 -336395.8171 23277.8281 0.0000 0.0000 44521.8704 -222403.2002 161.9583 -266925.0706 -222049.4132 161.9583 -1906.4162 -2263.5012 921491.4634 -1906.4162 -2263.5012
ENERGY: 458 20585.8435 20019.2722 5720.7061 176.6081 -336835.0966 23294.7179 0.0000 0.0000 44632.7889 -222405.1599 162.3618 -267037.9488 -222051.2822 162.3618 -2684.6985 -2301.0426 921491.4634 -2684.6985 -2301.0426
ENERGY: 459 20903.4945 19784.9689 5724.0021 178.1985 -337468.1651 23318.6989 0.0000 0.0000 45113.9369 -222444.8652 164.1121 -267558.8021 -222053.1411 164.1121 -3350.5830 -2341.5795 921491.4634 -3350.5830 -2341.5795
TIMING: 460 CPU: 216.224, 0.45845/step Wall: 216.224, 0.45845/step, 0.00509388 hours remaining, 3224.191406 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 19597.9063 5728.0972 179.4910 -338014.3776 23341.8007 0.0000 0.0000 45423.8568 -222480.6116 165.2395 -267904.4684 -222064.6835 165.2395 -3669.8201 -2365.2411 921491.4634 -3669.8201 -2365.2411
ENERGY: 461 21862.8767 19507.1075 5732.5753 180.4333 -338251.6226 23355.3941 0.0000 0.0000 45154.6138 -222458.6219 164.2601 -267613.2357 -222058.0507 164.2601 -3556.1667 -2361.1799 921491.4634 -3556.1667 -2361.1799
ENERGY: 462 22264.2261 19487.8110 5736.4823 180.9531 -337988.7180 23351.1091 0.0000 0.0000 44559.9291 -222408.2074 162.0968 -266968.1365 -222056.7214 162.0968 -2954.8202 -2323.4250 921491.4634 -2954.8202 -2323.4250
ENERGY: 463 21821.1795 19513.9017 5738.9361 181.1160 -337284.1038 23326.9482 0.0000 0.0000 44313.4571 -222388.5652 161.2002 -266702.0223 -222054.6242 161.2002 -2012.4425 -2264.0778 921491.4634 -2012.4425 -2264.0778
ENERGY: 464 20535.2461 19559.9275 5739.2518 181.0096 -336389.3846 23291.1946 0.0000 0.0000 44654.0267 -222428.7282 162.4391 -267082.7550 -222058.5727 162.4391 -1050.9226 -2205.5267 921491.4634 -1050.9226 -2205.5267
ENERGY: 465 19322.7826 19631.8857 5737.2899 180.7155 -335701.1538 23259.7395 0.0000 0.0000 45094.5687 -222474.1718 164.0416 -267568.7405 -222052.9386 164.0416 -512.3345 -2174.4007 921491.4634 -512.3345 -2174.4007
ENERGY: 466 19088.4510 19708.3585 5733.2107 180.2808 -335443.7727 23245.0607 0.0000 0.0000 45020.7905 -222467.6204 163.7733 -267488.4110 -222052.9783 163.7733 -630.3312 -2182.6709 921491.4634 -630.3312 -2182.6709
ENERGY: 467 19841.8070 19783.1747 5727.6704 179.7757 -335721.0951 23249.4533 0.0000 0.0000 44523.6661 -222415.5480 161.9649 -266939.2142 -222054.3493 161.9649 -1393.6027 -2232.5923 921491.4634 -1393.6027 -2232.5923
ENERGY: 468 20761.8481 19845.4946 5721.5089 179.2779 -336451.5667 23265.8128 0.0000 0.0000 44291.6582 -222385.9662 161.1209 -266677.6243 -222056.3590 161.1209 -2508.6713 -2314.1340 921491.4634 -2508.6713 -2314.1340
ENERGY: 469 21236.3015 19910.2025 5715.6824 178.8504 -337458.3203 23284.3963 0.0000 0.0000 44720.3200 -222412.5671 162.6802 -267132.8872 -222046.0749 162.6802 -3596.7405 -2405.7972 921491.4634 -3596.7405 -2405.7972
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 -338383.2509 23297.0674 0.0000 0.0000 45346.4573 -222466.1155 164.9579 -267812.5728 -222047.6087 164.9579 -4259.6996 -2477.6832 921491.4634 -4259.6996 -2477.6832
ENERGY: 471 21732.8681 20054.6836 5707.9626 178.5890 -338913.2453 23297.5086 0.0000 0.0000 45471.3365 -222470.2969 165.4122 -267941.6334 -222047.5358 165.4122 -4290.5685 -2504.3176 921491.4634 -4290.5685 -2504.3176
ENERGY: 472 22081.2365 20161.5551 5707.0091 178.9047 -338870.6768 23279.4492 0.0000 0.0000 45028.5296 -222433.9928 163.8014 -267462.5223 -222059.5056 163.8014 -3659.7362 -2479.9184 921491.4634 -3659.7362 -2479.9184
ENERGY: 473 21866.1364 20289.3424 5707.9843 179.6165 -338307.7191 23240.7364 0.0000 0.0000 44634.5174 -222389.3857 162.3681 -267023.9032 -222043.8538 162.3681 -2556.3617 -2408.1658 921491.4634 -2556.3617 -2408.1658
ENERGY: 474 20842.9703 20372.0984 5710.2160 180.7466 -337438.4551 23189.2349 0.0000 0.0000 44733.2309 -222409.9580 162.7272 -267143.1889 -222041.2618 162.7272 -1295.5525 -2316.2728 921491.4634 -1295.5525 -2316.2728
ENERGY: 475 19674.2079 20371.7671 5712.9876 182.2512 -336604.2310 23142.3818 0.0000 0.0000 45070.2141 -222450.4215 163.9531 -267520.6355 -222039.4528 163.9531 -344.6449 -2232.2126 921491.4634 -344.6449 -2232.2126
ENERGY: 476 19235.7861 20282.0272 5715.7683 184.0125 -336100.0902 23115.8467 0.0000 0.0000 45106.0634 -222460.5861 164.0835 -267566.6495 -222053.6138 164.0835 -92.4050 -2183.0653 921491.4634 -92.4050 -2183.0653
ENERGY: 477 19704.7250 20145.9811 5718.4976 185.9230 -336101.8789 23114.2939 0.0000 0.0000 44812.3209 -222420.1374 163.0149 -267232.4583 -222044.8411 163.0149 -667.4946 -2171.8229 921491.4634 -667.4946 -2171.8229
ENERGY: 478 20493.4776 19974.7636 5721.0254 187.7262 -336537.4038 23131.2460 0.0000 0.0000 44627.0335 -222402.1315 162.3409 -267029.1650 -222047.4107 162.3409 -1807.1604 -2198.7957 921491.4634 -1807.1604 -2198.7957
ENERGY: 479 21125.3058 19793.3954 5723.3295 189.2099 -337215.5842 23156.6772 0.0000 0.0000 44802.1582 -222425.5083 162.9779 -267227.6665 -222050.5460 162.9779 -3089.8516 -2246.7919 921491.4634 -3089.8516 -2246.7919
TIMING: 480 CPU: 225.385, 0.458077/step Wall: 225.385, 0.458077/step, 0.00254487 hours remaining, 3224.191406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0329 19623.1963 5725.3111 190.1900 -337854.6792 23181.5118 0.0000 0.0000 45051.6820 -222458.7551 163.8856 -267510.4371 -222064.6211 163.8856 -4077.7328 -2291.4893 921491.4634 -4077.7328 -2291.4893
ENERGY: 481 22092.4858 19510.0433 5727.0952 190.6351 -338199.2490 23196.7958 0.0000 0.0000 45041.3373 -222440.8564 163.8480 -267482.1937 -222052.5267 163.8480 -4466.2396 -2305.6734 921491.4634 -4466.2396 -2305.6734
ENERGY: 482 22186.3471 19466.6795 5728.4963 190.3598 -338044.5429 23192.7474 0.0000 0.0000 44865.8526 -222414.0602 163.2096 -267279.9127 -222051.4114 163.2096 -4059.3101 -2278.0616 921491.4634 -4059.3101 -2278.0616
ENERGY: 483 21553.1415 19511.5748 5729.5660 189.3227 -337426.2197 23165.8740 0.0000 0.0000 44861.8976 -222414.8431 163.1953 -267276.7407 -222048.7673 163.1953 -2964.1725 -2216.4117 921491.4634 -2964.1725 -2216.4117
ENERGY: 484 20460.8926 19631.1943 5730.2465 187.5455 -336590.8894 23126.1351 0.0000 0.0000 45003.6039 -222451.2716 163.7107 -267454.8755 -222059.8741 163.7107 -1565.2426 -2143.1851 921491.4634 -1565.2426 -2143.1851
ENERGY: 485 19688.7721 19800.2997 5730.5256 185.2458 -335902.5876 23092.8470 0.0000 0.0000 44955.5730 -222449.3245 163.5360 -267404.8975 -222045.9605 163.5360 -422.1570 -2086.8737 921491.4634 -422.1570 -2086.8737
ENERGY: 486 19602.5428 19954.8183 5729.7197 182.4662 -335612.3578 23080.3807 0.0000 0.0000 44645.9120 -222416.5180 162.4096 -267062.4300 -222044.6759 162.4096 87.3180 -2070.0983 921491.4634 87.3180 -2070.0983
ENERGY: 487 19881.0927 20072.0220 5727.4347 179.4360 -335846.4492 23091.0544 0.0000 0.0000 44503.3497 -222392.0598 161.8910 -266895.4095 -222045.2406 161.8910 -192.2346 -2106.8841 921491.4634 -192.2346 -2106.8841
ENERGY: 488 20125.2099 20156.1367 5723.5441 176.4338 -336552.5464 23118.8616 0.0000 0.0000 44827.0561 -222425.3041 163.0685 -267252.3603 -222057.1939 163.0685 -1145.7533 -2194.6681 921491.4634 -1145.7533 -2194.6681
ENERGY: 489 20526.8871 20236.4613 5718.5749 173.8639 -337540.4667 23156.7311 0.0000 0.0000 45266.1011 -222461.8474 164.6656 -267727.9484 -222045.6086 164.6656 -2511.2404 -2316.7067 921491.4634 -2511.2404 -2316.7067
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7490 20292.9024 5712.8912 171.8438 -338458.1372 23196.4878 0.0000 0.0000 45213.5636 -222459.6994 164.4745 -267673.2630 -222048.2208 164.4745 -3823.4039 -2437.4155 921491.4634 -3823.4039 -2437.4155
ENERGY: 491 22430.4643 20312.1361 5707.3795 170.5404 -338984.5805 23226.0938 0.0000 0.0000 44733.0095 -222404.9569 162.7264 -267137.9664 -222049.4639 162.7264 -4629.6935 -2524.6215 921491.4634 -4629.6935 -2524.6215
ENERGY: 492 22612.9551 20289.6810 5702.9944 170.0207 -338937.5823 23232.7207 0.0000 0.0000 44542.1956 -222387.0148 162.0323 -266929.2104 -222060.3858 162.0323 -4606.8525 -2557.4729 921491.4634 -4606.8525 -2557.4729
ENERGY: 493 21558.2190 20260.7372 5700.7779 170.3200 -338358.0639 23214.0538 0.0000 0.0000 45033.8236 -222420.1324 163.8207 -267453.9560 -222046.5898 163.8207 -3796.3819 -2540.0995 921491.4634 -3796.3819 -2540.0995
ENERGY: 494 20068.3367 20225.0258 5700.9806 171.2193 -337454.3840 23183.0797 0.0000 0.0000 45622.2482 -222483.4937 165.9612 -268105.7419 -222044.0865 165.9612 -2500.8992 -2482.1067 921491.4634 -2500.8992 -2482.1067
ENERGY: 495 19383.2463 20186.8298 5703.5926 172.5416 -336566.9890 23159.4628 0.0000 0.0000 45484.1236 -222477.1923 165.4587 -267961.3159 -222041.5561 165.4587 -1249.6836 -2407.3055 921491.4634 -1249.6836 -2407.3055
ENERGY: 496 19722.4835 20130.6470 5708.0350 174.0933 -335998.7165 23154.2639 0.0000 0.0000 44699.5275 -222409.6663 162.6046 -267109.1938 -222049.0673 162.6046 -478.8998 -2343.4751 921491.4634 -478.8998 -2343.4751
ENERGY: 497 20212.6669 20059.9174 5713.4613 175.7242 -335952.5052 23166.3549 0.0000 0.0000 44261.0293 -222363.3513 161.0095 -266624.3806 -222042.7503 161.0095 -421.0231 -2316.7928 921491.4634 -421.0231 -2316.7928
ENERGY: 498 20182.0164 19957.1213 5718.5597 177.2604 -336366.4945 23189.3590 0.0000 0.0000 44728.2541 -222413.9236 162.7091 -267142.1777 -222044.5223 162.7091 -993.4678 -2331.6473 921491.4634 -993.4678 -2331.6473
ENERGY: 499 20158.0678 19847.7307 5722.4090 178.6361 -337058.4838 23219.2409 0.0000 0.0000 45439.2652 -222493.1342 165.2956 -267932.3994 -222047.2065 165.2956 -2020.8686 -2376.3391 921491.4634 -2020.8686 -2376.3391
Info: Benchmark time: 4 CPUs 0.45786 s/step 5.2993 days/ns 3224.19 MB memory
TIMING: 500 CPU: 234.475, 0.454471/step Wall: 234.475, 0.454471/step, 0 hours remaining, 3224.191406 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 19756.6584 5724.4523 179.8271 -337741.4204 23251.1014 0.0000 0.0000 45359.0785 -222495.4089 165.0039 -267854.4874 -222061.0907 165.0039 -3197.5166 -2425.4140 921491.4634 -3197.5166 -2425.4140
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.129 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.129 MB of memory in use
====================================================
WallClock: 241.290161 CPUTime: 241.290161 Memory: 3229.128906 MB
[Partition 0][Node 0] End of program
Application 1109965 resources: utime ~949s, stime ~18s, Rss ~126752, inblocks ~66552, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.290161
CPU=241.290161
MEM=3229.128906
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 14 14:50 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 14 14:50 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 14 14:50 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 14 14:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189505 Dec 14 14:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505293 Dec 14 14:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 14 14:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 14 14:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 14 14:22 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 14 14:22 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 14 14:22 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 14 14:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 14 14:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 14 14:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 14 14:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 14 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/jenkins12550017969594607951.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}
