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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: 90 22711.6048 19691.0676 5699.8921 181.1111 -335712.1129 22705.2746 0.0000 0.0000 42377.6759 -222345.4868 154.1583 -264723.1627 -222389.2091 154.1583 -2670.9832 -2080.5818 921491.4634 -2670.9832 -2080.5818
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LDB: ============= START OF LOAD BALANCING ============== 54.6217
LDB: Largest compute 200 load 0.430597 is 1.2% of average load 36.857116
LDB: Average compute 0.051637 is 0.1% of average load 36.857116
LDB: Partitioning computes with target load 3.685712
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055706
LDB: ============== END OF LOAD BALANCING =============== 54.6238
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.6247
Info: Initial time: 4 CPUs 0.473756 s/step 5.48329 days/ns 3221.45 MB memory
TIMING: 100 CPU: 48.3466, 0.472841/step Wall: 48.3466, 0.472841/step, 0.0525379 hours remaining, 3221.453125 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 ============== 64.0616
LDB: ============== END OF LOAD BALANCING =============== 64.0617
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.0621
TIMING: 120 CPU: 57.7821, 0.471774/step Wall: 57.7821, 0.471774/step, 0.0497984 hours remaining, 3221.652344 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
ENERGY: 130 21553.6087 18898.7762 5736.4508 185.0194 -334776.0137 21118.0422 0.0000 0.0000 44811.1497 -222472.9667 163.0106 -267284.1164 -222216.5365 163.0106 -5536.0555 -2842.3154 921491.4634 -5536.0555 -2842.3154
ENERGY: 131 21530.9955 19804.6628 5745.0872 187.0957 -335083.2644 21105.7069 0.0000 0.0000 44221.5103 -222488.2059 160.8657 -266709.7163 -222215.1805 160.8657 -5164.7863 -2872.9597 921491.4634 -5164.7863 -2872.9597
ENERGY: 132 21696.5183 20951.9798 5753.4447 189.2233 -334841.7368 21081.3851 0.0000 0.0000 42732.1267 -222437.0589 155.4477 -265169.1856 -222222.8145 155.4477 -4015.6410 -2856.5553 921491.4634 -4015.6410 -2856.5553
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ENERGY: 136 18381.4539 21453.0792 5750.0867 193.4037 -332655.7488 21006.3294 0.0000 0.0000 43348.3541 -222523.0418 157.6894 -265871.3958 -222211.0693 157.6894 198.1851 -2776.3543 921491.4634 198.1851 -2776.3543
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ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9639 -222340.8739 155.6399 -265125.8378 -222213.1815 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.2133, 0.471561/step Wall: 67.2133, 0.471561/step, 0.0471561 hours remaining, 3221.878906 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: 140 20992.5977 17997.1577 5722.1741 192.2140 -333726.9441 21127.4061 0.0000 0.0000 45144.2514 -222551.1432 164.2224 -267695.3946 -222224.0360 164.2224 -5617.7627 -3080.3638 921491.4634 -5617.7627 -3080.3638
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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: 150 21015.8993 19956.3835 5767.3089 192.0924 -334899.3753 20845.5771 0.0000 0.0000 44606.5897 -222515.5244 162.2665 -267122.1141 -222153.2665 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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TIMING: 160 CPU: 76.6298, 0.470827/step Wall: 76.6298, 0.470827/step, 0.044467 hours remaining, 3222.082031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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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: 86.0361, 0.470317/step Wall: 86.0361, 0.470317/step, 0.0418059 hours remaining, 3222.082031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1126 21076.9265 0.0000 0.0000 42449.0056 -222222.0801 154.4178 -264671.0856 -222130.9080 154.4178 -3641.8535 -2802.0867 921491.4634 -3641.8535 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 101.724
LDB: Largest compute 200 load 0.425067 is 1.2% of average load 36.673957
LDB: Average compute 0.051377 is 0.1% of average load 36.673957
LDB: TIME 101.726 LOAD: AVG 36.674 MAX 37.6618 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.46 MB
LDB: TIME 101.728 LOAD: AVG 36.674 MAX 37.5375 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.46 MB
LDB: ============== END OF LOAD BALANCING =============== 101.73
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.733
Info: Initial time: 4 CPUs 0.470935 s/step 5.45063 days/ns 3223.9 MB memory
TIMING: 200 CPU: 95.4499, 0.47069/step Wall: 95.4499, 0.47069/step, 0.0392241 hours remaining, 3223.898438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 203 20743.8946 19130.0390 5729.2400 192.0764 -333501.9372 21215.8254 0.0000 0.0000 44059.6986 -222431.1633 160.2771 -266490.8619 -222093.6426 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
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ENERGY: 208 20293.2703 20371.8903 5718.1572 182.8654 -334789.2377 21322.2410 0.0000 0.0000 44428.6269 -222472.1866 161.6191 -266900.8135 -222122.6315 161.6191 -3669.0641 -2719.7951 921491.4634 -3669.0641 -2719.7951
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1735 20194.2568 5705.3139 178.4614 -336615.7768 21385.1096 0.0000 0.0000 45251.4334 -222516.0283 164.6123 -267767.4617 -222108.2017 164.6123 -6091.3662 -2896.2626 921491.4634 -6091.3662 -2896.2626
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ENERGY: 212 23739.2710 19730.8221 5710.0295 176.0352 -336013.6226 21412.5983 0.0000 0.0000 42995.1639 -222249.7026 156.4046 -265244.8665 -222104.2318 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2161 19524.5247 5720.1722 175.9508 -334874.6443 21380.5552 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2253 -222097.3835 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
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ENERGY: 215 18210.5056 19441.9743 5746.5772 178.1492 -332787.3322 21379.5596 0.0000 0.0000 45302.6746 -222527.8917 164.7987 -267830.5662 -222091.0447 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4717 19522.5062 5756.9571 180.1770 -332560.1061 21436.4836 0.0000 0.0000 42442.1787 -222248.3317 154.3930 -264690.5104 -222073.6155 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3867 19581.4821 5762.2416 182.5517 -333010.6757 21497.2706 0.0000 0.0000 41983.6750 -222225.0682 152.7251 -264208.7431 -222064.4464 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9157 19540.0892 5761.2415 184.9927 -333856.1147 21546.6561 0.0000 0.0000 44178.6836 -222478.5360 160.7099 -266657.2195 -222068.8154 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
ENERGY: 219 19429.8640 19413.3932 5754.3577 187.2447 -334778.0708 21596.8808 0.0000 0.0000 45751.9297 -222644.4006 166.4329 -268396.3304 -222073.1719 166.4329 -4457.7332 -2810.5237 921491.4634 -4457.7332 -2810.5237
TIMING: 220 CPU: 104.888, 0.471899/step Wall: 104.888, 0.471899/step, 0.0367032 hours remaining, 3223.898438 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: 114.315, 0.471352/step Wall: 114.315, 0.471352/step, 0.0340421 hours remaining, 3223.898438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 246 20878.5481 19853.7024 5716.8932 174.1558 -334213.1204 21705.0851 0.0000 0.0000 43600.4182 -222284.3177 158.6063 -265884.7359 -222067.4295 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5286 19979.6439 5712.7400 177.5412 -334802.1840 21719.8455 0.0000 0.0000 44912.1912 -222431.6936 163.3782 -267343.8848 -222068.1393 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4924 20164.4295 5713.8450 181.3144 -335623.1354 21746.4312 0.0000 0.0000 46185.9362 -222595.6867 168.0117 -268781.6229 -222090.3129 168.0117 -1359.1245 -2608.3065 921491.4634 -1359.1245 -2608.3065
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 260 CPU: 123.734, 0.47094/step Wall: 123.734, 0.47094/step, 0.031396 hours remaining, 3224.207031 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 19385.2261 20436.4305 5710.6950 187.5052 -334855.9513 21907.7773 0.0000 0.0000 44751.4783 -222476.8390 162.7936 -267228.3172 -222069.1984 162.7936 -2191.1926 -2723.5293 921491.4634 -2191.1926 -2723.5293
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ENERGY: 266 20048.7899 20788.8699 5712.1327 187.6137 -334399.4578 21914.4806 0.0000 0.0000 43399.3797 -222348.1913 157.8750 -265747.5710 -222054.3635 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0905 20691.2676 5707.0583 187.8501 -334831.4856 21930.8375 0.0000 0.0000 44220.2169 -222446.1647 160.8610 -266666.3816 -222055.6585 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9160 20375.7514 5700.1930 187.9286 -335513.7448 21959.1258 0.0000 0.0000 44823.5377 -222504.2924 163.0557 -267327.8301 -222075.9874 163.0557 -2903.2124 -2658.6180 921491.4634 -2903.2124 -2658.6180
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1933 19450.9167 5690.3173 187.1618 -336650.6774 22028.8071 0.0000 0.0000 44308.0075 -222365.2737 161.1804 -266673.2813 -222067.0434 161.1804 -3583.3634 -2617.7582 921491.4634 -3583.3634 -2617.7582
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ENERGY: 272 21021.5585 18896.0662 5692.8269 184.9335 -335921.4616 22015.0581 0.0000 0.0000 45607.7075 -222503.3109 165.9083 -268111.0184 -222081.1571 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2137 18932.9081 5697.5118 183.8526 -334925.7013 21985.5297 0.0000 0.0000 45502.7160 -222499.9694 165.5264 -268002.6854 -222069.0458 165.5264 -1837.1974 -2434.6759 921491.4634 -1837.1974 -2434.6759
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ENERGY: 276 19401.8501 19594.7508 5701.2546 182.4904 -333292.1281 21971.0411 0.0000 0.0000 44028.5271 -222412.2138 160.1637 -266440.7410 -222072.9393 160.1637 -1580.1298 -2417.6040 921491.4634 -1580.1298 -2417.6040
ENERGY: 277 19149.2972 19724.7160 5695.5210 182.9396 -333864.3453 21997.2388 0.0000 0.0000 44632.8111 -222481.8216 162.3619 -267114.6327 -222061.0986 162.3619 -2311.7543 -2498.0544 921491.4634 -2311.7543 -2498.0544
ENERGY: 278 20199.4577 19713.7760 5686.9122 183.6585 -334821.1003 22041.3360 0.0000 0.0000 44532.2540 -222463.7060 161.9961 -266995.9599 -222063.4129 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3649 19593.9431 5677.5176 184.5187 -335888.5800 22096.4200 0.0000 0.0000 43975.0880 -222376.7277 159.9693 -266351.8157 -222065.2022 159.9693 -4044.3213 -2682.8388 921491.4634 -4044.3213 -2682.8388
TIMING: 280 CPU: 133.136, 0.470131/step Wall: 133.136, 0.470131/step, 0.0287302 hours remaining, 3224.207031 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 20943.7899 19615.5379 5669.9796 186.8360 -336942.5035 22176.7656 0.0000 0.0000 45823.3368 -222526.2578 166.6927 -268349.5946 -222063.3316 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
ENERGY: 283 20432.1061 19966.6614 5678.8137 187.1634 -336251.9201 22171.0650 0.0000 0.0000 45328.8519 -222487.2587 164.8939 -267816.1106 -222060.8460 164.8939 -2008.7736 -2748.2306 921491.4634 -2008.7736 -2748.2306
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ENERGY: 285 20203.3287 20789.9627 5707.3564 186.7145 -334827.1965 22167.0167 0.0000 0.0000 43418.2630 -222354.5545 157.9437 -265772.8175 -222053.5967 157.9437 -1010.8436 -2700.0820 921491.4634 -1010.8436 -2700.0820
ENERGY: 286 19396.6309 20966.5620 5721.5031 185.8229 -334658.1148 22176.6864 0.0000 0.0000 43785.6881 -222425.2212 159.2803 -266210.9093 -222054.0582 159.2803 -1306.7501 -2717.2847 921491.4634 -1306.7501 -2717.2847
ENERGY: 287 19176.1191 20856.7821 5731.9346 184.4714 -334918.1479 22200.2911 0.0000 0.0000 44282.9437 -222485.6059 161.0892 -266768.5496 -222055.7253 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2088 20475.2850 5736.9557 182.7335 -335468.3150 22237.9039 0.0000 0.0000 44116.9903 -222455.2377 160.4855 -266572.2281 -222066.9055 160.4855 -3310.5879 -2790.1553 921491.4634 -3310.5879 -2790.1553
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 290 22615.9845 19325.5266 5730.3279 178.6973 -336571.4577 22308.2176 0.0000 0.0000 44027.4233 -222385.2805 160.1597 -266412.7038 -222063.4686 160.1597 -4815.3287 -2796.0390 921491.4634 -4815.3287 -2796.0390
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LDB: ============= START OF LOAD BALANCING ============== 148.836
LDB: Largest compute 200 load 0.526286 is 1.1% of average load 45.794293
LDB: Average compute 0.064166 is 0.1% of average load 45.794293
LDB: TIME 148.838 LOAD: AVG 45.7943 MAX 47.1026 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.41 MB
LDB: TIME 148.838 LOAD: AVG 45.7943 MAX 47.1026 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.41 MB
LDB: TIME 148.843 LOAD: AVG 45.7943 MAX 46.298 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.41 MB
LDB: ============== END OF LOAD BALANCING =============== 148.844
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.845
Info: Initial time: 4 CPUs 0.47073 s/step 5.44826 days/ns 3224.41 MB memory
TIMING: 300 CPU: 142.533, 0.469818/step Wall: 142.533, 0.469818/step, 0.026101 hours remaining, 3224.406250 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: 300 21869.9883 20174.1890 5731.6694 182.6816 -337209.9033 22385.4781 0.0000 0.0000 44423.7995 -222442.0974 161.6016 -266865.8969 -222076.5870 161.6016 -4600.9409 -2563.6018 921491.4634 -4600.9409 -2563.6018
ENERGY: 301 21754.7699 20299.7852 5727.3852 184.0330 -337665.1003 22409.6628 0.0000 0.0000 44817.7465 -222471.7175 163.0346 -267289.4641 -222059.2469 163.0346 -4657.8464 -2584.2292 921491.4634 -4657.8464 -2584.2292
ENERGY: 302 21723.0648 20395.7907 5720.2599 184.8676 -337483.0154 22416.9293 0.0000 0.0000 44599.2669 -222442.8361 162.2399 -267042.1030 -222057.3400 162.2399 -3958.8648 -2554.2735 921491.4634 -3958.8648 -2554.2735
ENERGY: 303 21512.5328 20430.0800 5712.5286 185.2198 -336784.9551 22409.2050 0.0000 0.0000 44154.6909 -222380.6980 160.6226 -266535.3889 -222054.2089 160.6226 -2717.2717 -2487.9821 921491.4634 -2717.2717 -2487.9821
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ENERGY: 306 18813.6234 20091.4460 5706.8791 184.8700 -334861.4714 22380.1171 0.0000 0.0000 45195.6068 -222488.9290 164.4092 -267684.5358 -222048.9455 164.4092 -34.4473 -2342.9900 921491.4634 -34.4473 -2342.9900
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ENERGY: 308 21066.5788 19666.1167 5720.7563 184.4262 -335495.7178 22443.3091 0.0000 0.0000 44039.4393 -222375.0912 160.2034 -266414.5305 -222060.2283 160.2034 -1960.6040 -2406.6005 921491.4634 -1960.6040 -2406.6005
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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: 151.765, 0.461638/step Wall: 151.765, 0.461638/step, 0.0230819 hours remaining, 3224.406250 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 22179.0068 20957.0455 5696.1855 180.4970 -337965.9625 22565.0703 0.0000 0.0000 43989.5237 -222398.6336 160.0218 -266388.1573 -222063.6575 160.0218 -4596.8829 -2640.5013 921491.4634 -4596.8829 -2640.5013
ENERGY: 323 21976.7003 21085.8078 5695.4506 181.8003 -337194.0740 22550.8103 0.0000 0.0000 43361.4902 -222342.0145 157.7372 -265703.5047 -222061.4464 157.7372 -3808.3605 -2616.6944 921491.4634 -3808.3605 -2616.6944
ENERGY: 324 20558.5067 20952.0212 5690.8581 183.3007 -336170.3971 22520.5741 0.0000 0.0000 43857.2499 -222407.8864 159.5406 -266265.1364 -222068.7483 159.5406 -2506.6900 -2573.6931 921491.4634 -2506.6900 -2573.6931
ENERGY: 325 19096.1752 20584.7376 5683.7432 184.8441 -335297.0511 22494.0544 0.0000 0.0000 44763.3953 -222490.1012 162.8369 -267253.4965 -222060.9514 162.8369 -1264.0245 -2529.6546 921491.4634 -1264.0245 -2529.6546
ENERGY: 326 18959.6362 20052.8003 5675.9627 186.2078 -334820.0103 22490.4168 0.0000 0.0000 44971.8221 -222483.1643 163.5951 -267454.9865 -222059.6110 163.5951 -572.2143 -2503.0558 921491.4634 -572.2143 -2503.0558
ENERGY: 327 20020.7821 19506.2794 5669.7116 187.2139 -334851.2531 22513.0145 0.0000 0.0000 44550.7425 -222403.5091 162.0634 -266954.2516 -222059.8762 162.0634 -657.4993 -2506.5014 921491.4634 -657.4993 -2506.5014
ENERGY: 328 20934.1978 19092.0092 5666.7484 187.7399 -335303.4710 22549.7452 0.0000 0.0000 44493.2357 -222379.7948 161.8542 -266873.0305 -222061.7258 161.8542 -1393.2038 -2547.3518 921491.4634 -1393.2038 -2547.3518
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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: 330 21142.6834 18933.5044 5673.1988 187.2569 -336566.3118 22617.7579 0.0000 0.0000 45495.0147 -222516.8957 165.4984 -268011.9104 -222062.1150 165.4984 -3602.9589 -2673.3212 921491.4634 -3602.9589 -2673.3212
ENERGY: 331 21864.6856 19091.0593 5680.9136 186.3262 -336735.1752 22637.2715 0.0000 0.0000 44806.2163 -222468.7028 162.9927 -267274.9191 -222063.3971 162.9927 -4373.7647 -2707.8811 921491.4634 -4373.7647 -2707.8811
ENERGY: 332 22513.8607 19292.8542 5689.3391 185.0893 -336383.5024 22636.4044 0.0000 0.0000 43697.6287 -222368.3262 158.9600 -266065.9548 -222061.8461 158.9600 -4514.5070 -2704.7031 921491.4634 -4514.5070 -2704.7031
ENERGY: 333 21854.9974 19482.7899 5696.6505 183.7309 -335681.4585 22608.9730 0.0000 0.0000 43501.2420 -222353.0749 158.2456 -265854.3169 -222052.0753 158.2456 -3943.3086 -2666.2162 921491.4634 -3943.3086 -2666.2162
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ENERGY: 335 18726.9583 19647.0449 5701.6423 181.1975 -334325.9456 22528.7345 0.0000 0.0000 45026.6266 -222513.7415 163.7945 -267540.3680 -222047.5432 163.7945 -1753.1269 -2542.6964 921491.4634 -1753.1269 -2542.6964
ENERGY: 336 19127.9135 19639.0995 5698.6021 180.2744 -334271.7857 22519.6998 0.0000 0.0000 44649.6649 -222456.5316 162.4232 -267106.1964 -222055.6202 162.4232 -1093.5005 -2488.8702 921491.4634 -1093.5005 -2488.8702
ENERGY: 337 20420.1634 19649.7062 5693.3319 179.7347 -334824.3559 22536.4223 0.0000 0.0000 43995.5998 -222349.3977 160.0439 -266344.9974 -222040.1025 160.0439 -1064.7184 -2460.5859 921491.4634 -1064.7184 -2460.5859
ENERGY: 338 21007.5745 19722.4642 5687.5590 179.5437 -335808.8621 22564.1944 0.0000 0.0000 44285.9173 -222361.6089 161.1000 -266647.5262 -222041.5959 161.1000 -1500.9499 -2462.8575 921491.4634 -1500.9499 -2462.8575
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TIMING: 340 CPU: 160.995, 0.46147/step Wall: 160.995, 0.46147/step, 0.0205098 hours remaining, 3224.406250 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 -337942.4472 22653.2571 0.0000 0.0000 43612.4987 -222328.3977 158.6503 -265940.8964 -222054.3603 158.6503 -3711.7546 -2460.9855 921491.4634 -3711.7546 -2460.9855
ENERGY: 343 21993.5594 20596.8906 5695.1198 181.5548 -337132.3416 22633.1273 0.0000 0.0000 43686.5573 -222345.5324 158.9197 -266032.0897 -222053.2450 158.9197 -3217.8262 -2399.3476 921491.4634 -3217.8262 -2399.3476
ENERGY: 344 19898.5078 20447.2067 5699.9573 182.0106 -336095.2672 22596.5928 0.0000 0.0000 44790.9363 -222480.0558 162.9371 -267270.9920 -222071.3576 162.9371 -2338.1158 -2329.7492 921491.4634 -2338.1158 -2329.7492
ENERGY: 345 18694.7358 20199.0881 5702.3270 182.4513 -335224.1272 22568.7537 0.0000 0.0000 45351.4658 -222525.3054 164.9762 -267876.7712 -222058.0553 164.9762 -1576.2389 -2261.7959 921491.4634 -1576.2389 -2261.7959
ENERGY: 346 19350.9890 19892.9542 5701.0894 182.7368 -334783.0720 22565.1337 0.0000 0.0000 44652.5017 -222437.6671 162.4335 -267090.1688 -222056.8254 162.4335 -1239.3022 -2211.7781 921491.4634 -1239.3022 -2211.7781
ENERGY: 347 20669.8296 19583.9410 5696.3949 182.8447 -334881.4386 22581.1983 0.0000 0.0000 43831.1327 -222336.0974 159.4456 -266167.2301 -222056.9472 159.4456 -1358.8146 -2194.9212 921491.4634 -1358.8146 -2194.9212
ENERGY: 348 21062.2472 19315.9904 5689.3479 182.7918 -335425.6674 22604.2202 0.0000 0.0000 44195.9877 -222375.0823 160.7729 -266571.0700 -222064.0950 160.7729 -1766.2768 -2218.9158 921491.4634 -1766.2768 -2218.9158
ENERGY: 349 20718.9516 19143.3232 5681.9008 182.6959 -336197.3789 22630.4376 0.0000 0.0000 45349.6296 -222490.4403 164.9695 -267840.0699 -222056.3112 164.9695 -2336.6408 -2270.6250 921491.4634 -2336.6408 -2270.6250
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 19066.8678 5675.7227 182.5405 -336836.8362 22661.9755 0.0000 0.0000 45710.0736 -222530.3109 166.2807 -268240.3845 -222058.0879 166.2807 -2896.5510 -2326.8868 921491.4634 -2896.5510 -2326.8868
ENERGY: 351 22235.3181 19085.8717 5672.3994 182.3761 -337072.3454 22693.2958 0.0000 0.0000 44770.4136 -222432.6707 162.8625 -267203.0843 -222058.6358 162.8625 -3254.0186 -2369.0508 921491.4634 -3254.0186 -2369.0508
ENERGY: 352 22912.9248 19180.1285 5672.7329 182.2243 -336794.7863 22708.6921 0.0000 0.0000 43795.3993 -222342.6844 159.3156 -266138.0836 -222059.3900 159.3156 -3190.0135 -2394.0290 921491.4634 -3190.0135 -2394.0290
ENERGY: 353 21825.9773 19344.0940 5676.6445 182.1014 -336147.6556 22699.4234 0.0000 0.0000 44043.1857 -222376.2293 160.2170 -266419.4150 -222047.6764 160.2170 -2709.1540 -2407.4664 921491.4634 -2709.1540 -2407.4664
ENERGY: 354 19814.0380 19544.5094 5682.7360 181.9868 -335375.1829 22676.8667 0.0000 0.0000 44983.0759 -222491.9701 163.6361 -267475.0460 -222046.2244 163.6361 -2040.9897 -2415.4742 921491.4634 -2040.9897 -2415.4742
ENERGY: 355 18879.8418 19773.7510 5689.2466 181.9196 -334823.9963 22664.4422 0.0000 0.0000 45120.2679 -222514.5273 164.1351 -267634.7952 -222044.8384 164.1351 -1600.3168 -2424.6827 921491.4634 -1600.3168 -2424.6827
ENERGY: 356 19622.4372 20015.8110 5694.4280 181.9402 -334758.7697 22674.4080 0.0000 0.0000 44153.0886 -222416.6567 160.6168 -266569.7453 -222053.0963 160.6168 -1622.0263 -2446.8266 921491.4634 -1622.0263 -2446.8266
ENERGY: 357 20687.2713 20255.1055 5697.1708 182.0215 -335288.0651 22700.2949 0.0000 0.0000 43438.0179 -222328.1832 158.0156 -265766.2011 -222042.2332 158.0156 -2061.3608 -2486.6663 921491.4634 -2061.3608 -2486.6663
ENERGY: 358 20785.4067 20424.8428 5696.9833 182.1295 -336225.9484 22730.2419 0.0000 0.0000 44019.5824 -222386.7618 160.1311 -266406.3442 -222043.9947 160.1311 -2636.8583 -2541.3593 921491.4634 -2636.8583 -2541.3593
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TIMING: 360 CPU: 170.221, 0.461321/step Wall: 170.221, 0.461321/step, 0.0179403 hours remaining, 3224.406250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 368 20561.5938 19748.2121 5739.6691 179.8275 -335728.0878 22808.6653 0.0000 0.0000 44272.8406 -222417.2793 161.0524 -266690.1199 -222068.2912 161.0524 -2928.4886 -2487.3069 921491.4634 -2928.4886 -2487.3069
ENERGY: 369 20346.9679 19812.6207 5741.6369 179.5048 -336580.3311 22825.3360 0.0000 0.0000 45155.6307 -222518.6340 164.2638 -267674.2647 -222061.1001 164.2638 -3666.9891 -2542.4573 921491.4634 -3666.9891 -2542.4573
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 20251.1591 5706.5521 182.3248 -335763.5803 22794.3775 0.0000 0.0000 43848.2754 -222334.4304 159.5080 -266182.7057 -222041.4014 159.5080 -1819.5857 -2472.4985 921491.4634 -1819.5857 -2472.4985
ENERGY: 378 20473.8100 20495.6593 5711.4639 183.2952 -336584.2280 22821.5838 0.0000 0.0000 44474.7536 -222423.6622 161.7869 -266898.4158 -222044.3968 161.7869 -2972.9873 -2523.3498 921491.4634 -2972.9873 -2523.3498
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TIMING: 380 CPU: 179.437, 0.46077/step Wall: 179.437, 0.46077/step, 0.015359 hours remaining, 3224.406250 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 -337128.0232 22911.2846 0.0000 0.0000 44707.9447 -222438.7613 162.6352 -267146.7059 -222048.1882 162.6352 -2023.0803 -2294.0133 921491.4634 -2023.0803 -2294.0133
ENERGY: 384 19625.4114 19596.0353 5710.5349 179.0647 -336052.0491 22884.2534 0.0000 0.0000 45539.1835 -222517.5658 165.6590 -268056.7493 -222062.0926 165.6590 -569.2380 -2166.9358 921491.4634 -569.2380 -2166.9358
ENERGY: 385 19327.8183 19356.8912 5707.7751 177.4354 -335210.6407 22871.6144 0.0000 0.0000 45299.7172 -222469.3890 164.7879 -267769.1062 -222051.0993 164.7879 215.3514 -2064.3637 921491.4634 215.3514 -2064.3637
ENERGY: 386 19981.2275 19220.9466 5707.6637 175.9384 -334865.1824 22880.7958 0.0000 0.0000 44519.8587 -222378.7516 161.9510 -266898.6103 -222051.0438 161.9510 122.6668 -2011.2428 921491.4634 122.6668 -2011.2428
ENERGY: 387 20367.2862 19202.4847 5710.9354 174.6759 -335109.8732 22905.2744 0.0000 0.0000 44377.1817 -222372.0350 161.4320 -266749.2167 -222053.0050 161.4320 -738.9586 -2019.1689 921491.4634 -738.9586 -2019.1689
ENERGY: 388 20282.3988 19280.0171 5717.2934 173.7038 -335824.1523 22938.2900 0.0000 0.0000 44972.7762 -222459.6730 163.5986 -267432.4492 -222067.4816 163.5986 -2063.8555 -2076.2821 921491.4634 -2063.8555 -2076.2821
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 398 19692.8116 20133.3591 5716.9814 176.0456 -336812.3378 23014.0583 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 ============== 194.971
LDB: Largest compute 230 load 0.527486 is 1.2% of average load 45.744422
LDB: Average compute 0.064066 is 0.1% of average load 45.744422
LDB: TIME 194.972 LOAD: AVG 45.7444 MAX 46.1255 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.41 MB
LDB: TIME 194.973 LOAD: AVG 45.7444 MAX 46.1255 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.41 MB
LDB: TIME 194.973 LOAD: AVG 45.7444 MAX 46.1255 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.41 MB
LDB: ============== END OF LOAD BALANCING =============== 194.974
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.975
Info: Benchmark time: 4 CPUs 0.461195 s/step 5.3379 days/ns 3224.41 MB memory
TIMING: 400 CPU: 188.656, 0.460978/step Wall: 188.656, 0.460978/step, 0.012805 hours remaining, 3224.406250 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 22444.0478 19835.9106 5715.8942 173.8391 -338107.6285 23109.6376 0.0000 0.0000 44436.8100 -222391.4891 161.6489 -266828.2992 -222049.2227 161.6489 -4939.3794 -2681.7025 921491.4634 -4939.3794 -2681.7025
ENERGY: 403 20784.9694 19778.4826 5715.7218 174.2695 -337239.9784 23077.8400 0.0000 0.0000 45225.5965 -222483.0985 164.5183 -267708.6951 -222046.6855 164.5183 -3613.5978 -2605.7428 921491.4634 -3613.5978 -2605.7428
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ENERGY: 408 19735.8470 19387.6646 5692.2152 187.5226 -335902.8224 23017.8172 0.0000 0.0000 45394.4123 -222487.3435 165.1324 -267881.7558 -222063.5314 165.1324 -920.8283 -2294.1558 921491.4634 -920.8283 -2294.1558
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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: 413 21130.1417 20138.5249 5699.9334 199.7191 -337872.5322 23125.1115 0.0000 0.0000 45113.2144 -222465.8871 164.1095 -267579.1015 -222055.3454 164.1095 -3850.6271 -2398.9550 921491.4634 -3850.6271 -2398.9550
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ENERGY: 416 19942.3171 20661.9896 5710.0857 195.6954 -336157.5861 23063.1714 0.0000 0.0000 44200.2849 -222384.0421 160.7885 -266584.3270 -222052.9644 160.7885 -282.7615 -2224.6897 921491.4634 -282.7615 -2224.6897
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ENERGY: 418 20154.6647 20457.0908 5705.5847 188.6536 -336970.7864 23098.6726 0.0000 0.0000 44915.1422 -222450.9778 163.3889 -267366.1200 -222046.7093 163.3889 -671.8546 -2269.9921 921491.4634 -671.8546 -2269.9921
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TIMING: 420 CPU: 197.848, 0.459574/step Wall: 197.848, 0.459574/step, 0.0102127 hours remaining, 3224.406250 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 20140.4228 19760.4175 5710.4628 168.5259 -336199.9865 23087.7680 0.0000 0.0000 44884.2595 -222448.1300 163.2766 -267332.3895 -222058.0553 163.2766 -935.5733 -2206.9585 921491.4634 -935.5733 -2206.9585
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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 20024.3741 5712.1700 168.1897 -338096.9216 23149.4497 0.0000 0.0000 44626.3100 -222402.4410 162.3383 -267028.7509 -222047.3918 162.3383 -2472.2456 -2268.0465 921491.4634 -2472.2456 -2268.0465
ENERGY: 431 22204.1021 20111.4156 5711.2600 168.0704 -338644.7655 23172.3809 0.0000 0.0000 44858.4631 -222419.0735 163.1828 -267277.5366 -222048.7172 163.1828 -3116.2805 -2293.5592 921491.4634 -3116.2805 -2293.5592
ENERGY: 432 21768.3704 20188.6726 5710.3547 168.1086 -338651.2108 23176.0850 0.0000 0.0000 45177.9910 -222461.6286 164.3451 -267639.6196 -222065.9059 164.3451 -3350.2739 -2296.1495 921491.4634 -3350.2739 -2296.1495
ENERGY: 433 21200.9073 20275.9665 5710.3763 168.4633 -338164.0644 23162.2915 0.0000 0.0000 45192.9283 -222453.1312 164.3995 -267646.0595 -222052.5983 164.3995 -3187.3731 -2272.1274 921491.4634 -3187.3731 -2272.1274
ENERGY: 434 20730.3414 20338.1500 5711.6061 169.3247 -337394.2710 23140.7740 0.0000 0.0000 44883.0996 -222420.9753 163.2724 -267304.0749 -222051.1463 163.2724 -2694.3106 -2227.7883 921491.4634 -2694.3106 -2227.7883
ENERGY: 435 20235.2202 20362.4015 5714.0003 170.8455 -336680.6560 23123.4102 0.0000 0.0000 44675.9838 -222398.7945 162.5190 -267074.7784 -222049.5890 162.5190 -2061.3581 -2179.8949 921491.4634 -2061.3581 -2179.8949
ENERGY: 436 19670.9243 20349.9981 5717.2345 173.0864 -336303.8816 23119.9082 0.0000 0.0000 44847.0983 -222425.6317 163.1414 -267272.7300 -222059.6959 163.1414 -1520.6597 -2145.1615 921491.4634 -1520.6597 -2145.1615
ENERGY: 437 19434.5516 20329.5092 5720.9893 175.9827 -336411.9788 23136.3872 0.0000 0.0000 45159.2687 -222455.2901 164.2770 -267614.5588 -222050.7503 164.2770 -1319.1168 -2134.4847 921491.4634 -1319.1168 -2134.4847
ENERGY: 438 19935.1532 20278.6095 5724.6883 179.3848 -336899.4580 23173.5523 0.0000 0.0000 45148.1324 -222459.9374 164.2365 -267608.0698 -222051.5668 164.2365 -1493.0940 -2145.0879 921491.4634 -1493.0940 -2145.0879
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TIMING: 440 CPU: 207.032, 0.459196/step Wall: 207.032, 0.459196/step, 0.00765327 hours remaining, 3224.406250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5683 20036.2371 5729.7527 186.7201 -338123.1811 23276.2490 0.0000 0.0000 44417.5460 -222405.1079 161.5788 -266822.6539 -222059.4773 161.5788 -2408.4610 -2197.9670 921491.4634 -2408.4610 -2197.9670
ENERGY: 441 22355.5485 19860.0410 5730.3487 190.1145 -338361.1721 23313.2049 0.0000 0.0000 44502.6965 -222409.2179 161.8886 -266911.9144 -222050.0860 161.8886 -2716.1025 -2221.5312 921491.4634 -2716.1025 -2221.5312
ENERGY: 442 21853.6118 19664.5351 5729.4854 192.9411 -338090.1540 23327.1572 0.0000 0.0000 44880.6320 -222441.7914 163.2634 -267322.4234 -222049.7755 163.2634 -2710.5575 -2229.0695 921491.4634 -2710.5575 -2229.0695
ENERGY: 443 21064.3317 19487.0725 5727.6164 194.9329 -337369.3158 23320.0162 0.0000 0.0000 45118.1107 -222457.2354 164.1273 -267575.3461 -222048.5996 164.1273 -2448.1648 -2220.3530 921491.4634 -2448.1648 -2220.3530
ENERGY: 444 20449.3365 19357.2693 5725.4095 195.8735 -336464.1933 23301.5280 0.0000 0.0000 44987.7176 -222447.0590 163.6530 -267434.7766 -222057.9799 163.6530 -2090.2100 -2206.4399 921491.4634 -2090.2100 -2206.4399
ENERGY: 445 20125.5609 19307.2520 5723.6513 195.6942 -335759.3925 23283.8143 0.0000 0.0000 44708.7154 -222414.7043 162.6380 -267123.4197 -222046.5430 162.6380 -1846.9627 -2201.6925 921491.4634 -1846.9627 -2201.6925
ENERGY: 446 19947.6805 19324.9008 5722.5430 194.3235 -335494.5718 23276.0455 0.0000 0.0000 44620.2945 -222408.7841 162.3164 -267029.0785 -222046.1622 162.3164 -1800.7518 -2216.7293 921491.4634 -1800.7518 -2216.7293
ENERGY: 447 19914.2848 19416.0212 5722.2107 191.8641 -335769.4409 23282.7462 0.0000 0.0000 44816.5087 -222425.8052 163.0301 -267242.3138 -222046.8345 163.0301 -1993.3112 -2253.0602 921491.4634 -1993.3112 -2253.0602
ENERGY: 448 20187.5921 19583.6802 5722.5764 188.5554 -336503.1808 23303.8908 0.0000 0.0000 45065.6672 -222451.2187 163.9365 -267516.8859 -222059.3482 163.9365 -2372.1877 -2303.7898 921491.4634 -2372.1877 -2303.7898
ENERGY: 449 20877.4059 19832.6988 5723.5712 184.8596 -337500.9078 23334.5927 0.0000 0.0000 45101.1675 -222446.6121 164.0657 -267547.7795 -222047.7101 164.0657 -2827.1080 -2356.1407 921491.4634 -2827.1080 -2356.1407
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4852 20108.1301 5724.4776 181.0898 -338419.3255 23364.6247 0.0000 0.0000 44854.3092 -222432.2088 163.1676 -267286.5180 -222048.7862 163.1676 -3116.6755 -2394.3895 921491.4634 -3116.6755 -2394.3895
ENERGY: 451 22355.5901 20357.7256 5724.7144 177.6517 -338952.0913 23381.8012 0.0000 0.0000 44542.6982 -222411.9102 162.0341 -266954.6084 -222048.8247 162.0341 -3074.2531 -2405.7797 921491.4634 -3074.2531 -2405.7797
ENERGY: 452 22246.2014 20536.0135 5723.8953 174.8859 -338927.1542 23378.0948 0.0000 0.0000 44452.9191 -222415.1442 161.7075 -266868.0633 -222059.6372 161.7075 -2659.9604 -2384.7567 921491.4634 -2659.9604 -2384.7567
ENERGY: 453 21399.8726 20641.1311 5722.2878 173.1350 -338392.7939 23354.5912 0.0000 0.0000 44683.7028 -222418.0732 162.5470 -267101.7760 -222043.5374 162.5470 -2048.3338 -2342.4667 921491.4634 -2048.3338 -2342.4667
ENERGY: 454 20248.3381 20654.1374 5720.2217 172.3637 -337567.1419 23320.6906 0.0000 0.0000 45008.1460 -222443.2444 163.7273 -267451.3904 -222041.8393 163.7273 -1453.4579 -2293.1449 921491.4634 -1453.4579 -2293.1449
ENERGY: 455 19486.7907 20584.7120 5718.4844 172.5169 -336790.6457 23290.4028 0.0000 0.0000 45086.5783 -222451.1605 164.0126 -267537.7389 -222040.8572 164.0126 -1151.8824 -2255.8571 921491.4634 -1151.8824 -2255.8571
ENERGY: 456 19493.3721 20440.6800 5717.7556 173.4249 -336350.1079 23274.9636 0.0000 0.0000 44811.4721 -222438.4396 163.0118 -267249.9118 -222055.3487 163.0118 -1305.5004 -2245.5822 921491.4634 -1305.5004 -2245.5822
ENERGY: 457 20047.4928 20251.9435 5718.5580 174.9241 -336395.8167 23277.8279 0.0000 0.0000 44521.8702 -222403.2003 161.9583 -266925.0705 -222049.4133 161.9583 -1906.4164 -2263.5012 921491.4634 -1906.4164 -2263.5012
ENERGY: 458 20585.8433 20019.2723 5720.7061 176.6081 -336835.0961 23294.7177 0.0000 0.0000 44632.7886 -222405.1600 162.3618 -267037.9486 -222051.2823 162.3618 -2684.6986 -2301.0426 921491.4634 -2684.6986 -2301.0426
ENERGY: 459 20903.4943 19784.9691 5724.0021 178.1985 -337468.1645 23318.6987 0.0000 0.0000 45113.9365 -222444.8653 164.1121 -267558.8019 -222053.1412 164.1121 -3350.5830 -2341.5795 921491.4634 -3350.5830 -2341.5795
TIMING: 460 CPU: 216.207, 0.458745/step Wall: 216.207, 0.458745/step, 0.00509717 hours remaining, 3224.406250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6137 19597.9065 5728.0971 179.4910 -338014.3770 23341.8005 0.0000 0.0000 45423.8564 -222480.6117 165.2395 -267904.4682 -222064.6837 165.2395 -3669.8201 -2365.2412 921491.4634 -3669.8201 -2365.2412
ENERGY: 461 21862.8762 19507.1078 5732.5752 180.4333 -338251.6220 23355.3938 0.0000 0.0000 45154.6137 -222458.6220 164.2601 -267613.2357 -222058.0508 164.2601 -3556.1666 -2361.1799 921491.4634 -3556.1666 -2361.1799
ENERGY: 462 22264.2256 19487.8112 5736.4822 180.9531 -337988.7175 23351.1088 0.0000 0.0000 44559.9290 -222408.2075 162.0968 -266968.1365 -222056.7215 162.0968 -2954.8201 -2323.4251 921491.4634 -2954.8201 -2323.4251
ENERGY: 463 21821.1792 19513.9019 5738.9361 181.1160 -337284.1034 23326.9479 0.0000 0.0000 44313.4570 -222388.5653 161.2002 -266702.0223 -222054.6243 161.2002 -2012.4425 -2264.0779 921491.4634 -2012.4425 -2264.0779
ENERGY: 464 20535.2461 19559.9275 5739.2518 181.0096 -336389.3846 23291.1943 0.0000 0.0000 44654.0266 -222428.7286 162.4391 -267082.7553 -222058.5731 162.4391 -1050.9228 -2205.5269 921491.4634 -1050.9228 -2205.5269
ENERGY: 465 19322.7828 19631.8857 5737.2899 180.7155 -335701.1539 23259.7392 0.0000 0.0000 45094.5688 -222474.1721 164.0416 -267568.7409 -222052.9389 164.0416 -512.3348 -2174.4009 921491.4634 -512.3348 -2174.4009
ENERGY: 466 19088.4511 19708.3584 5733.2107 180.2808 -335443.7730 23245.0603 0.0000 0.0000 45020.7908 -222467.6208 163.7733 -267488.4116 -222052.9787 163.7733 -630.3315 -2182.6711 921491.4634 -630.3315 -2182.6711
ENERGY: 467 19841.8070 19783.1745 5727.6704 179.7757 -335721.0954 23249.4529 0.0000 0.0000 44523.6666 -222415.5484 161.9649 -266939.2150 -222054.3496 161.9649 -1393.6030 -2232.5925 921491.4634 -1393.6030 -2232.5925
ENERGY: 468 20761.8481 19845.4944 5721.5089 179.2779 -336451.5669 23265.8124 0.0000 0.0000 44291.6586 -222385.9666 161.1209 -266677.6252 -222056.3593 161.1209 -2508.6715 -2314.1342 921491.4634 -2508.6715 -2314.1342
ENERGY: 469 21236.3015 19910.2023 5715.6824 178.8504 -337458.3204 23284.3959 0.0000 0.0000 44720.3204 -222412.5675 162.6802 -267132.8879 -222046.0753 162.6802 -3596.7407 -2405.7974 921491.4634 -3596.7407 -2405.7974
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1731 19972.8935 5710.9491 178.5947 -338383.2509 23297.0670 0.0000 0.0000 45346.4576 -222466.1159 164.9579 -267812.5735 -222047.6091 164.9579 -4259.6997 -2477.6833 921491.4634 -4259.6997 -2477.6833
ENERGY: 471 21732.8678 20054.6835 5707.9626 178.5890 -338913.2454 23297.5082 0.0000 0.0000 45471.3369 -222470.2973 165.4122 -267941.6342 -222047.5362 165.4122 -4290.5686 -2504.3178 921491.4634 -4290.5686 -2504.3178
ENERGY: 472 22081.2362 20161.5550 5707.0091 178.9047 -338870.6767 23279.4488 0.0000 0.0000 45028.5300 -222433.9931 163.8014 -267462.5230 -222059.5059 163.8014 -3659.7363 -2479.9186 921491.4634 -3659.7363 -2479.9186
ENERGY: 473 21866.1363 20289.3423 5707.9843 179.6165 -338307.7191 23240.7359 0.0000 0.0000 44634.5178 -222389.3861 162.3681 -267023.9039 -222043.8541 162.3681 -2556.3619 -2408.1660 921491.4634 -2556.3619 -2408.1660
ENERGY: 474 20842.9704 20372.0982 5710.2160 180.7466 -337438.4552 23189.2343 0.0000 0.0000 44733.2312 -222409.9583 162.7272 -267143.1895 -222041.2621 162.7272 -1295.5528 -2316.2731 921491.4634 -1295.5528 -2316.2731
ENERGY: 475 19674.2081 20371.7670 5712.9876 182.2512 -336604.2313 23142.3812 0.0000 0.0000 45070.2144 -222450.4218 163.9531 -267520.6362 -222039.4532 163.9531 -344.6453 -2232.2128 921491.4634 -344.6453 -2232.2128
ENERGY: 476 19235.7863 20282.0271 5715.7683 184.0125 -336100.0902 23115.8461 0.0000 0.0000 45106.0638 -222460.5861 164.0835 -267566.6499 -222053.6137 164.0835 -92.4052 -2183.0655 921491.4634 -92.4052 -2183.0655
ENERGY: 477 19704.7251 20145.9811 5718.4976 185.9230 -336101.8788 23114.2933 0.0000 0.0000 44812.3213 -222420.1374 163.0149 -267232.4587 -222044.8410 163.0149 -667.4948 -2171.8230 921491.4634 -667.4948 -2171.8230
ENERGY: 478 20493.4777 19974.7637 5721.0254 187.7262 -336537.4036 23131.2454 0.0000 0.0000 44627.0338 -222402.1314 162.3409 -267029.1652 -222047.4106 162.3409 -1807.1606 -2198.7958 921491.4634 -1807.1606 -2198.7958
ENERGY: 479 21125.3058 19793.3956 5723.3295 189.2099 -337215.5838 23156.6765 0.0000 0.0000 44802.1583 -222425.5082 162.9779 -267227.6665 -222050.5459 162.9779 -3089.8517 -2246.7920 921491.4634 -3089.8517 -2246.7920
TIMING: 480 CPU: 225.376, 0.458459/step Wall: 225.376, 0.458459/step, 0.00254699 hours remaining, 3224.406250 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 21624.0327 19623.1966 5725.3111 190.1900 -337854.6790 23181.5111 0.0000 0.0000 45051.6820 -222458.7554 163.8856 -267510.4374 -222064.6214 163.8856 -4077.7330 -2291.4896 921491.4634 -4077.7330 -2291.4896
ENERGY: 481 22092.4855 19510.0435 5727.0952 190.6351 -338199.2486 23196.7952 0.0000 0.0000 45041.3374 -222440.8567 163.8480 -267482.1940 -222052.5269 163.8480 -4466.2397 -2305.6737 921491.4634 -4466.2397 -2305.6737
ENERGY: 482 22186.3468 19466.6797 5728.4964 190.3598 -338044.5424 23192.7467 0.0000 0.0000 44865.8526 -222414.0604 163.2096 -267279.9131 -222051.4116 163.2096 -4059.3102 -2278.0620 921491.4634 -4059.3102 -2278.0620
ENERGY: 483 21553.1413 19511.5748 5729.5660 189.3227 -337426.2192 23165.8733 0.0000 0.0000 44861.8977 -222414.8434 163.1953 -267276.7410 -222048.7676 163.1953 -2964.1727 -2216.4121 921491.4634 -2964.1727 -2216.4121
ENERGY: 484 20460.8927 19631.1942 5730.2465 187.5455 -336590.8888 23126.1344 0.0000 0.0000 45003.6039 -222451.2717 163.7107 -267454.8756 -222059.8742 163.7107 -1565.2429 -2143.1853 921491.4634 -1565.2429 -2143.1853
ENERGY: 485 19688.7723 19800.2995 5730.5256 185.2458 -335902.5871 23092.8463 0.0000 0.0000 44955.5731 -222449.3245 163.5360 -267404.8976 -222045.9605 163.5360 -422.1574 -2086.8739 921491.4634 -422.1574 -2086.8739
ENERGY: 486 19602.5430 19954.8180 5729.7197 182.4662 -335612.3572 23080.3800 0.0000 0.0000 44645.9121 -222416.5181 162.4096 -267062.4302 -222044.6760 162.4096 87.3176 -2070.0986 921491.4634 87.3176 -2070.0986
ENERGY: 487 19881.0928 20072.0217 5727.4347 179.4360 -335846.4485 23091.0537 0.0000 0.0000 44503.3498 -222392.0599 161.8910 -266895.4096 -222045.2407 161.8910 -192.2351 -2106.8844 921491.4634 -192.2351 -2106.8844
ENERGY: 488 20125.2099 20156.1366 5723.5441 176.4338 -336552.5457 23118.8609 0.0000 0.0000 44827.0561 -222425.3043 163.0685 -267252.3604 -222057.1941 163.0685 -1145.7537 -2194.6683 921491.4634 -1145.7537 -2194.6683
ENERGY: 489 20526.8871 20236.4612 5718.5748 173.8639 -337540.4658 23156.7303 0.0000 0.0000 45266.1008 -222461.8476 164.6656 -267727.9484 -222045.6088 164.6656 -2511.2406 -2316.7069 921491.4634 -2511.2406 -2316.7069
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 20292.9024 5712.8912 171.8438 -338458.1362 23196.4870 0.0000 0.0000 45213.5633 -222459.6996 164.4745 -267673.2629 -222048.2210 164.4745 -3823.4040 -2437.4158 921491.4634 -3823.4040 -2437.4158
ENERGY: 491 22430.4639 20312.1362 5707.3795 170.5404 -338984.5792 23226.0930 0.0000 0.0000 44733.0092 -222404.9571 162.7264 -267137.9663 -222049.4641 162.7264 -4629.6935 -2524.6218 921491.4634 -4629.6935 -2524.6218
ENERGY: 492 22612.9546 20289.6811 5702.9944 170.0208 -338937.5813 23232.7199 0.0000 0.0000 44542.1952 -222387.0153 162.0323 -266929.2105 -222060.3863 162.0323 -4606.8526 -2557.4732 921491.4634 -4606.8526 -2557.4732
ENERGY: 493 21558.2186 20260.7374 5700.7779 170.3200 -338358.0629 23214.0530 0.0000 0.0000 45033.8230 -222420.1329 163.8207 -267453.9559 -222046.5903 163.8207 -3796.3821 -2540.0998 921491.4634 -3796.3821 -2540.0998
ENERGY: 494 20068.3365 20225.0261 5700.9805 171.2193 -337454.3830 23183.0789 0.0000 0.0000 45622.2474 -222483.4942 165.9612 -268105.7416 -222044.0870 165.9612 -2500.8996 -2482.1071 921491.4634 -2500.8996 -2482.1071
ENERGY: 495 19383.2462 20186.8301 5703.5926 172.5416 -336566.9880 23159.4619 0.0000 0.0000 45484.1228 -222477.1928 165.4587 -267961.3156 -222041.5566 165.4587 -1249.6841 -2407.3058 921491.4634 -1249.6841 -2407.3058
ENERGY: 496 19722.4834 20130.6473 5708.0350 174.0933 -335998.7148 23154.2630 0.0000 0.0000 44699.5265 -222409.6663 162.6046 -267109.1928 -222049.0673 162.6046 -478.9001 -2343.4753 921491.4634 -478.9001 -2343.4753
ENERGY: 497 20212.6667 20059.9176 5713.4613 175.7242 -335952.5034 23166.3541 0.0000 0.0000 44261.0282 -222363.3513 161.0095 -266624.3795 -222042.7503 161.0095 -421.0235 -2316.7930 921491.4634 -421.0235 -2316.7930
ENERGY: 498 20182.0163 19957.1215 5718.5596 177.2604 -336366.4925 23189.3581 0.0000 0.0000 44728.2529 -222413.9236 162.7091 -267142.1765 -222044.5223 162.7091 -993.4681 -2331.6475 921491.4634 -993.4681 -2331.6475
ENERGY: 499 20158.0676 19847.7308 5722.4089 178.6361 -337058.4816 23219.2400 0.0000 0.0000 45439.2639 -222493.1342 165.2956 -267932.3981 -222047.2065 165.2956 -2020.8688 -2376.3392 921491.4634 -2020.8688 -2376.3392
Info: Benchmark time: 4 CPUs 0.458149 s/step 5.30265 days/ns 3224.41 MB memory
TIMING: 500 CPU: 234.471, 0.454781/step Wall: 234.471, 0.454781/step, 0 hours remaining, 3224.406250 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 20974.8936 19756.6583 5724.4523 179.8271 -337741.4183 23251.1005 0.0000 0.0000 45359.0772 -222495.4093 165.0039 -267854.4865 -222061.0911 165.0039 -3197.5167 -2425.4143 921491.4634 -3197.5167 -2425.4143
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.496 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.496 MB of memory in use
====================================================
WallClock: 241.675217 CPUTime: 241.675217 Memory: 3229.496094 MB
[Partition 0][Node 0] End of program
Application 1111407 resources: utime ~950s, stime ~19s, Rss ~127060, inblocks ~66552, outblocks ~71878
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.675217
CPU=241.675217
MEM=3229.496094
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 19 02:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 19 02:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 19 02:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 19 02:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189492 Dec 19 02:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 19 02:46 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 19 02:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 19 02:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 19 02:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 19 02:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 19 02:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 19 02:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 19 02:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 19 02:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 19 02:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 19 02:21 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/jenkins9936436720232657202.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}
