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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 ============== 54.2471
LDB: Largest compute 200 load 0.431280 is 1.2% of average load 36.891377
LDB: Average compute 0.051679 is 0.1% of average load 36.891377
LDB: Partitioning computes with target load 3.689138
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055494
LDB: ============== END OF LOAD BALANCING =============== 54.2492
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2501
Info: Initial time: 4 CPUs 0.474212 s/step 5.48857 days/ns 3221.43 MB memory
TIMING: 100 CPU: 48.3921, 0.473254/step Wall: 48.3921, 0.473254/step, 0.0525838 hours remaining, 3221.429688 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 ============== 63.6964
LDB: ============== END OF LOAD BALANCING =============== 63.6965
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.697
TIMING: 120 CPU: 57.8373, 0.472258/step Wall: 57.8373, 0.472258/step, 0.0498494 hours remaining, 3221.558594 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 140 CPU: 67.2769, 0.47198/step Wall: 67.2769, 0.47198/step, 0.047198 hours remaining, 3221.703125 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: 76.7054, 0.471427/step Wall: 76.7054, 0.471427/step, 0.0445237 hours remaining, 3221.988281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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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: 86.1243, 0.470943/step Wall: 86.1243, 0.470943/step, 0.0418616 hours remaining, 3222.128906 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 186 19266.0405 19234.9571 5686.4352 181.9571 -332240.0937 21043.7459 0.0000 0.0000 44391.5889 -222435.3691 161.4844 -266826.9579 -222129.2887 161.4844 -2596.4732 -2731.4264 921491.4634 -2596.4732 -2731.4264
ENERGY: 187 22073.2966 19471.4304 5678.7399 184.6336 -333156.1128 21076.9264 0.0000 0.0000 42449.0058 -222222.0800 154.4178 -264671.0859 -222130.9079 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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LDB: ============= START OF LOAD BALANCING ============== 101.403
LDB: Largest compute 200 load 0.425695 is 1.2% of average load 36.712448
LDB: Average compute 0.051425 is 0.1% of average load 36.712448
LDB: TIME 101.405 LOAD: AVG 36.7124 MAX 37.7056 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.47 MB
LDB: TIME 101.407 LOAD: AVG 36.7124 MAX 37.5222 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.47 MB
LDB: ============== END OF LOAD BALANCING =============== 101.409
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.412
Info: Initial time: 4 CPUs 0.471484 s/step 5.45699 days/ns 3223.67 MB memory
TIMING: 200 CPU: 95.5504, 0.471306/step Wall: 95.5504, 0.471306/step, 0.0392755 hours remaining, 3223.671875 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 203 20743.8944 19130.0390 5729.2400 192.0764 -333501.9370 21215.8254 0.0000 0.0000 44059.6987 -222431.1633 160.2771 -266490.8620 -222093.6425 160.2771 -1046.8256 -2512.4435 921491.4634 -1046.8256 -2512.4435
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ENERGY: 208 20293.2703 20371.8904 5718.1572 182.8654 -334789.2380 21322.2410 0.0000 0.0000 44428.6271 -222472.1865 161.6191 -266900.8136 -222122.6314 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -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 21385.1737 20194.2570 5705.3139 178.4614 -336615.7771 21385.1096 0.0000 0.0000 45251.4334 -222516.0281 164.6123 -267767.4615 -222108.2015 164.6123 -6091.3664 -2896.2627 921491.4634 -6091.3664 -2896.2627
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ENERGY: 212 23739.2709 19730.8223 5710.0295 176.0352 -336013.6227 21412.5983 0.0000 0.0000 42995.1639 -222249.7026 156.4046 -265244.8665 -222104.2319 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2159 19524.5248 5720.1722 175.9508 -334874.6443 21380.5552 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2253 -222097.3835 165.2210 -2174.3116 -2725.0841 921491.4634 -2174.3116 -2725.0841
ENERGY: 214 17315.5528 19421.7447 5733.3059 176.6827 -333645.3935 21358.4486 0.0000 0.0000 46958.4702 -222681.1885 170.8220 -269639.6587 -222093.7407 170.8220 -143.6683 -2626.0578 921491.4634 -143.6683 -2626.0578
ENERGY: 215 18210.5055 19441.9742 5746.5772 178.1492 -332787.3320 21379.5597 0.0000 0.0000 45302.6745 -222527.8917 164.7987 -267830.5662 -222091.0447 164.7987 784.0016 -2554.0368 921491.4634 784.0016 -2554.0368
ENERGY: 216 20973.4716 19522.5060 5756.9571 180.1770 -332560.1059 21436.4837 0.0000 0.0000 42442.1788 -222248.3317 154.3930 -264690.5106 -222073.6155 154.3930 420.9903 -2541.5428 921491.4634 420.9903 -2541.5428
ENERGY: 217 21778.3866 19581.4818 5762.2416 182.5517 -333010.6757 21497.2707 0.0000 0.0000 41983.6751 -222225.0682 152.7251 -264208.7433 -222064.4464 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9158 19540.0889 5761.2415 184.9927 -333856.1147 21546.6562 0.0000 0.0000 44178.6836 -222478.5360 160.7099 -266657.2196 -222068.8154 160.7099 -2628.0653 -2703.9746 921491.4634 -2628.0653 -2703.9746
ENERGY: 219 19429.8643 19413.3929 5754.3577 187.2447 -334778.0709 21596.8809 0.0000 0.0000 45751.9297 -222644.4007 166.4329 -268396.3303 -222073.1719 166.4329 -4457.7333 -2810.5237 921491.4634 -4457.7333 -2810.5237
TIMING: 220 CPU: 104.986, 0.471779/step Wall: 104.986, 0.471779/step, 0.036694 hours remaining, 3223.671875 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 240 CPU: 114.406, 0.471025/step Wall: 114.406, 0.471025/step, 0.0340185 hours remaining, 3223.671875 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 248 19035.4926 20164.4298 5713.8450 181.3144 -335623.1358 21746.4311 0.0000 0.0000 46185.9363 -222595.6868 168.0117 -268781.6230 -222090.3130 168.0117 -1359.1249 -2608.3068 921491.4634 -1359.1249 -2608.3068
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 256 20899.4408 18950.9576 5693.4518 195.6570 -332975.5970 21757.6848 0.0000 0.0000 43181.1613 -222297.2437 157.0812 -265478.4050 -222071.2738 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
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TIMING: 260 CPU: 123.821, 0.470702/step Wall: 123.821, 0.470702/step, 0.0313802 hours remaining, 3223.671875 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 263 19781.1228 20140.5623 5703.8103 187.9445 -335614.9713 21924.4741 0.0000 0.0000 45349.7771 -222527.2804 164.9700 -267877.0574 -222051.1547 164.9700 -2647.8114 -2773.3903 921491.4634 -2647.8114 -2773.3903
ENERGY: 264 19385.2260 20436.4306 5710.6950 187.5052 -334855.9510 21907.7773 0.0000 0.0000 44751.4783 -222476.8386 162.7936 -267228.3168 -222069.1980 162.7936 -2191.1925 -2723.5293 921491.4634 -2191.1925 -2723.5293
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ENERGY: 266 20048.7897 20788.8702 5712.1327 187.6137 -334399.4576 21914.4806 0.0000 0.0000 43399.3797 -222348.1909 157.8750 -265747.5706 -222054.3631 157.8750 -2130.7240 -2664.5955 921491.4634 -2130.7240 -2664.5955
ENERGY: 267 19648.0905 20691.2680 5707.0583 187.8501 -334831.4854 21930.8375 0.0000 0.0000 44220.2168 -222446.1643 160.8610 -266666.3811 -222055.6581 160.8610 -2435.4234 -2662.6782 921491.4634 -2435.4234 -2662.6782
ENERGY: 268 19962.9162 20375.7517 5700.1930 187.9286 -335513.7450 21959.1258 0.0000 0.0000 44823.5376 -222504.2922 163.0557 -267327.8298 -222075.9873 163.0557 -2903.2125 -2658.6180 921491.4634 -2903.2125 -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 22620.1934 19450.9167 5690.3173 187.1618 -336650.6775 22028.8072 0.0000 0.0000 44308.0075 -222365.2736 161.1804 -266673.2811 -222067.0432 161.1804 -3583.3634 -2617.7582 921491.4634 -3583.3634 -2617.7582
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ENERGY: 272 21021.5584 18896.0660 5692.8269 184.9335 -335921.4614 22015.0581 0.0000 0.0000 45607.7077 -222503.3109 165.9083 -268111.0186 -222081.1570 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9078 5697.5118 183.8526 -334925.7011 21985.5297 0.0000 0.0000 45502.7161 -222499.9694 165.5264 -268002.6855 -222069.0458 165.5264 -1837.1974 -2434.6759 921491.4634 -1837.1974 -2434.6759
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ENERGY: 276 19401.8501 19594.7507 5701.2547 182.4904 -333292.1278 21971.0411 0.0000 0.0000 44028.5271 -222412.2138 160.1637 -266440.7409 -222072.9393 160.1637 -1580.1299 -2417.6040 921491.4634 -1580.1299 -2417.6040
ENERGY: 277 19149.2972 19724.7159 5695.5210 182.9396 -333864.3451 21997.2388 0.0000 0.0000 44632.8110 -222481.8215 162.3619 -267114.6326 -222061.0986 162.3619 -2311.7544 -2498.0544 921491.4634 -2311.7544 -2498.0544
ENERGY: 278 20199.4577 19713.7759 5686.9122 183.6585 -334821.1001 22041.3360 0.0000 0.0000 44532.2538 -222463.7059 161.9961 -266995.9597 -222063.4129 161.9961 -3254.8157 -2593.7696 921491.4634 -3254.8157 -2593.7696
ENERGY: 279 21984.3650 19593.9430 5677.5176 184.5187 -335888.5799 22096.4200 0.0000 0.0000 43975.0879 -222376.7277 159.9693 -266351.8155 -222065.2021 159.9693 -4044.3213 -2682.8389 921491.4634 -4044.3213 -2682.8389
TIMING: 280 CPU: 133.227, 0.47032/step Wall: 133.227, 0.47032/step, 0.0287418 hours remaining, 3223.671875 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 282 20943.7898 19615.5379 5669.9796 186.8360 -336942.5035 22176.7656 0.0000 0.0000 45823.3370 -222526.2576 166.6927 -268349.5946 -222063.3314 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
ENERGY: 283 20432.1061 19966.6616 5678.8137 187.1634 -336251.9202 22171.0650 0.0000 0.0000 45328.8519 -222487.2585 164.8939 -267816.1104 -222060.8458 164.8939 -2008.7736 -2748.2306 921491.4634 -2008.7736 -2748.2306
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ENERGY: 285 20203.3287 20789.9631 5707.3565 186.7145 -334827.1967 22167.0167 0.0000 0.0000 43418.2630 -222354.5543 157.9437 -265772.8173 -222053.5965 157.9437 -1010.8437 -2700.0820 921491.4634 -1010.8437 -2700.0820
ENERGY: 286 19396.6308 20966.5624 5721.5031 185.8229 -334658.1150 22176.6864 0.0000 0.0000 43785.6882 -222425.2211 159.2803 -266210.9092 -222054.0581 159.2803 -1306.7501 -2717.2847 921491.4634 -1306.7501 -2717.2847
ENERGY: 287 19176.1190 20856.7824 5731.9346 184.4714 -334918.1481 22200.2911 0.0000 0.0000 44282.9437 -222485.6057 161.0892 -266768.5495 -222055.7251 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2089 20475.2852 5736.9558 182.7335 -335468.3148 22237.9039 0.0000 0.0000 44116.9904 -222455.2372 160.4855 -266572.2276 -222066.9050 160.4855 -3310.5878 -2790.1553 921491.4634 -3310.5878 -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 19325.5265 5730.3279 178.6973 -336571.4572 22308.2176 0.0000 0.0000 44027.4235 -222385.2800 160.1597 -266412.7035 -222063.4681 160.1597 -4815.3286 -2796.0389 921491.4634 -4815.3286 -2796.0389
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LDB: ============= START OF LOAD BALANCING ============== 148.511
LDB: Largest compute 200 load 0.519797 is 1.1% of average load 45.828295
LDB: Average compute 0.064194 is 0.1% of average load 45.828295
LDB: TIME 148.513 LOAD: AVG 45.8283 MAX 47.0989 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.07 MB
LDB: TIME 148.513 LOAD: AVG 45.8283 MAX 47.0989 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.07 MB
LDB: TIME 148.529 LOAD: AVG 45.8283 MAX 46.3494 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.07 MB
LDB: ============== END OF LOAD BALANCING =============== 148.53
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.531
Info: Initial time: 4 CPUs 0.47071 s/step 5.44804 days/ns 3224.07 MB memory
TIMING: 300 CPU: 142.642, 0.470759/step Wall: 142.642, 0.470759/step, 0.0261533 hours remaining, 3224.066406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 320 CPU: 151.873, 0.461541/step Wall: 151.873, 0.461541/step, 0.023077 hours remaining, 3224.066406 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: 327 20020.7818 19506.2793 5669.7116 187.2139 -334851.2525 22513.0146 0.0000 0.0000 44550.7425 -222403.5089 162.0634 -266954.2514 -222059.8760 162.0634 -657.4989 -2506.5013 921491.4634 -657.4989 -2506.5013
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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: 337 20420.1631 19649.7063 5693.3319 179.7347 -334824.3557 22536.4223 0.0000 0.0000 43995.5998 -222349.3976 160.0439 -266344.9974 -222040.1025 160.0439 -1064.7181 -2460.5859 921491.4634 -1064.7181 -2460.5859
ENERGY: 338 21007.5744 19722.4643 5687.5590 179.5437 -335808.8620 22564.1945 0.0000 0.0000 44285.9172 -222361.6088 161.1000 -266647.5260 -222041.5958 161.1000 -1500.9496 -2462.8575 921491.4634 -1500.9496 -2462.8575
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TIMING: 340 CPU: 161.1, 0.461371/step Wall: 161.1, 0.461371/step, 0.0205054 hours remaining, 3224.066406 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: 348 21062.2470 19315.9901 5689.3479 182.7918 -335425.6667 22604.2201 0.0000 0.0000 44195.9878 -222375.0819 160.7729 -266571.0697 -222064.0947 160.7729 -1766.2764 -2218.9156 921491.4634 -1766.2764 -2218.9156
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 350 21009.3452 19066.8676 5675.7227 182.5405 -336836.8358 22661.9755 0.0000 0.0000 45710.0738 -222530.3105 166.2807 -268240.3844 -222058.0876 166.2807 -2896.5509 -2326.8866 921491.4634 -2896.5509 -2326.8866
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ENERGY: 352 22912.9250 19180.1284 5672.7329 182.2243 -336794.7863 22708.6920 0.0000 0.0000 43795.3994 -222342.6842 159.3156 -266138.0835 -222059.3898 159.3156 -3190.0138 -2394.0290 921491.4634 -3190.0138 -2394.0290
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ENERGY: 354 19814.0382 19544.5094 5682.7360 181.9868 -335375.1828 22676.8666 0.0000 0.0000 44983.0758 -222491.9699 163.6361 -267475.0457 -222046.2242 163.6361 -2040.9898 -2415.4742 921491.4634 -2040.9898 -2415.4742
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ENERGY: 356 19622.4368 20015.8112 5694.4280 181.9402 -334758.7695 22674.4079 0.0000 0.0000 44153.0887 -222416.6567 160.6168 -266569.7454 -222053.0963 160.6168 -1622.0261 -2446.8266 921491.4634 -1622.0261 -2446.8266
ENERGY: 357 20687.2710 20255.1057 5697.1707 182.0215 -335288.0648 22700.2948 0.0000 0.0000 43438.0179 -222328.1832 158.0156 -265766.2011 -222042.2331 158.0156 -2061.3605 -2486.6662 921491.4634 -2061.3605 -2486.6662
ENERGY: 358 20785.4066 20424.8431 5696.9833 182.1295 -336225.9482 22730.2418 0.0000 0.0000 44019.5823 -222386.7617 160.1311 -266406.3440 -222043.9946 160.1311 -2636.8580 -2541.3593 921491.4634 -2636.8580 -2541.3593
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TIMING: 360 CPU: 170.318, 0.460871/step Wall: 170.318, 0.460871/step, 0.0179227 hours remaining, 3224.066406 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 19748.2119 5739.6691 179.8275 -335728.0874 22808.6653 0.0000 0.0000 44272.8406 -222417.2792 161.0524 -266690.1198 -222068.2911 161.0524 -2928.4886 -2487.3070 921491.4634 -2928.4886 -2487.3070
ENERGY: 369 20346.9679 19812.6206 5741.6369 179.5048 -336580.3309 22825.3360 0.0000 0.0000 45155.6307 -222518.6339 164.2638 -267674.2646 -222061.1000 164.2638 -3666.9891 -2542.4574 921491.4634 -3666.9891 -2542.4574
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 377 20646.4607 20251.1593 5706.5521 182.3248 -335763.5798 22794.3774 0.0000 0.0000 43848.2753 -222334.4301 159.5080 -266182.7054 -222041.4011 159.5080 -1819.5856 -2472.4985 921491.4634 -1819.5856 -2472.4985
ENERGY: 378 20473.8100 20495.6594 5711.4639 183.2952 -336584.2275 22821.5837 0.0000 0.0000 44474.7533 -222423.6619 161.7869 -266898.4152 -222044.3966 161.7869 -2972.9873 -2523.3498 921491.4634 -2972.9873 -2523.3498
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TIMING: 380 CPU: 179.534, 0.46079/step Wall: 179.534, 0.46079/step, 0.0153597 hours remaining, 3224.066406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 383 21263.6994 19910.9244 5714.6670 180.7420 -337128.0222 22911.2844 0.0000 0.0000 44707.9442 -222438.7609 162.6352 -267146.7051 -222048.1878 162.6352 -2023.0802 -2294.0131 921491.4634 -2023.0802 -2294.0131
ENERGY: 384 19625.4114 19596.0352 5710.5349 179.0647 -336052.0481 22884.2532 0.0000 0.0000 45539.1830 -222517.5657 165.6590 -268056.7487 -222062.0924 165.6590 -569.2379 -2166.9358 921491.4634 -569.2379 -2166.9358
ENERGY: 385 19327.8180 19356.8911 5707.7751 177.4354 -335210.6395 22871.6141 0.0000 0.0000 45299.7170 -222469.3888 164.7879 -267769.1058 -222051.0992 164.7879 215.3515 -2064.3636 921491.4634 215.3515 -2064.3636
ENERGY: 386 19981.2272 19220.9464 5707.6637 175.9385 -334865.1813 22880.7955 0.0000 0.0000 44519.8585 -222378.7515 161.9510 -266898.6100 -222051.0436 161.9510 122.6670 -2011.2428 921491.4634 122.6670 -2011.2428
ENERGY: 387 20367.2860 19202.4845 5710.9354 174.6759 -335109.8722 22905.2741 0.0000 0.0000 44377.1814 -222372.0348 161.4320 -266749.2162 -222053.0049 161.4320 -738.9585 -2019.1689 921491.4634 -738.9585 -2019.1689
ENERGY: 388 20282.3989 19280.0169 5717.2934 173.7038 -335824.1515 22938.2897 0.0000 0.0000 44972.7758 -222459.6730 163.5986 -267432.4488 -222067.4816 163.5986 -2063.8554 -2076.2821 921491.4634 -2063.8554 -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 19692.8117 20133.3592 5716.9814 176.0456 -336812.3373 23014.0579 0.0000 0.0000 45592.7321 -222486.3495 165.8538 -268079.0816 -222045.7221 165.8538 -1710.2238 -2443.6966 921491.4634 -1710.2238 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 194.638
LDB: Largest compute 230 load 0.527285 is 1.2% of average load 45.756282
LDB: Average compute 0.064072 is 0.1% of average load 45.756282
LDB: TIME 194.64 LOAD: AVG 45.7563 MAX 46.1068 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.07 MB
LDB: TIME 194.64 LOAD: AVG 45.7563 MAX 46.1068 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.07 MB
LDB: TIME 194.641 LOAD: AVG 45.7563 MAX 46.1068 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.07 MB
LDB: ============== END OF LOAD BALANCING =============== 194.641
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.642
Info: Benchmark time: 4 CPUs 0.461008 s/step 5.33574 days/ns 3224.07 MB memory
TIMING: 400 CPU: 188.747, 0.460671/step Wall: 188.747, 0.460671/step, 0.0127964 hours remaining, 3224.066406 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 22444.0480 19835.9106 5715.8942 173.8391 -338107.6279 23109.6372 0.0000 0.0000 44436.8100 -222391.4888 161.6489 -266828.2988 -222049.2224 161.6489 -4939.3796 -2681.7026 921491.4634 -4939.3796 -2681.7026
ENERGY: 403 20784.9696 19778.4825 5715.7218 174.2695 -337239.9776 23077.8396 0.0000 0.0000 45225.5964 -222483.0982 164.5183 -267708.6947 -222046.6852 164.5183 -3613.5979 -2605.7430 921491.4634 -3613.5979 -2605.7430
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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 19942.3169 20661.9896 5710.0857 195.6954 -336157.5856 23063.1715 0.0000 0.0000 44200.2847 -222384.0419 160.7885 -266584.3266 -222052.9642 160.7885 -282.7613 -2224.6896 921491.4634 -282.7613 -2224.6896
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ENERGY: 418 20154.6649 20457.0908 5705.5847 188.6537 -336970.7862 23098.6727 0.0000 0.0000 44915.1418 -222450.9776 163.3889 -267366.1194 -222046.7091 163.3889 -671.8545 -2269.9920 921491.4634 -671.8545 -2269.9920
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TIMING: 420 CPU: 197.933, 0.459308/step Wall: 197.933, 0.459308/step, 0.0102068 hours remaining, 3224.066406 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 20140.4229 19760.4174 5710.4628 168.5259 -336199.9859 23087.7680 0.0000 0.0000 44884.2592 -222448.1296 163.2766 -267332.3888 -222058.0549 163.2766 -935.5731 -2206.9583 921491.4634 -935.5731 -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 20024.3739 5712.1700 168.1897 -338096.9209 23149.4496 0.0000 0.0000 44626.3099 -222402.4406 162.3383 -267028.7505 -222047.3914 162.3383 -2472.2455 -2268.0464 921491.4634 -2472.2455 -2268.0464
ENERGY: 431 22204.1022 20111.4153 5711.2600 168.0704 -338644.7647 23172.3808 0.0000 0.0000 44858.4629 -222419.0732 163.1828 -267277.5361 -222048.7169 163.1828 -3116.2804 -2293.5591 921491.4634 -3116.2804 -2293.5591
ENERGY: 432 21768.3705 20188.6723 5710.3547 168.1086 -338651.2101 23176.0848 0.0000 0.0000 45177.9907 -222461.6284 164.3451 -267639.6191 -222065.9057 164.3451 -3350.2740 -2296.1495 921491.4634 -3350.2740 -2296.1495
ENERGY: 433 21200.9073 20275.9662 5710.3763 168.4633 -338164.0635 23162.2913 0.0000 0.0000 45192.9281 -222453.1310 164.3995 -267646.0591 -222052.5981 164.3995 -3187.3731 -2272.1274 921491.4634 -3187.3731 -2272.1274
ENERGY: 434 20730.3412 20338.1498 5711.6061 169.3247 -337394.2701 23140.7737 0.0000 0.0000 44883.0996 -222420.9751 163.2724 -267304.0746 -222051.1461 163.2724 -2694.3107 -2227.7883 921491.4634 -2694.3107 -2227.7883
ENERGY: 435 20235.2200 20362.4013 5714.0003 170.8455 -336680.6551 23123.4099 0.0000 0.0000 44675.9838 -222398.7943 162.5190 -267074.7781 -222049.5888 162.5190 -2061.3581 -2179.8950 921491.4634 -2061.3581 -2179.8950
ENERGY: 436 19670.9243 20349.9980 5717.2345 173.0864 -336303.8811 23119.9079 0.0000 0.0000 44847.0982 -222425.6319 163.1414 -267272.7301 -222059.6961 163.1414 -1520.6598 -2145.1616 921491.4634 -1520.6598 -2145.1616
ENERGY: 437 19434.5518 20329.5090 5720.9893 175.9827 -336411.9785 23136.3869 0.0000 0.0000 45159.2686 -222455.2903 164.2770 -267614.5588 -222050.7505 164.2770 -1319.1169 -2134.4848 921491.4634 -1319.1169 -2134.4848
ENERGY: 438 19935.1533 20278.6094 5724.6884 179.3848 -336899.4579 23173.5520 0.0000 0.0000 45148.1325 -222459.9375 164.2365 -267608.0700 -222051.5670 164.2365 -1493.0941 -2145.0881 921491.4634 -1493.0941 -2145.0881
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TIMING: 440 CPU: 207.112, 0.458954/step Wall: 207.112, 0.458954/step, 0.00764924 hours remaining, 3224.066406 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 -338123.1809 23276.2486 0.0000 0.0000 44417.5464 -222405.1077 161.5788 -266822.6541 -222059.4771 161.5788 -2408.4611 -2197.9670 921491.4634 -2408.4611 -2197.9670
ENERGY: 441 22355.5487 19860.0409 5730.3488 190.1145 -338361.1719 23313.2045 0.0000 0.0000 44502.6968 -222409.2177 161.8886 -266911.9145 -222050.0858 161.8886 -2716.1027 -2221.5313 921491.4634 -2716.1027 -2221.5313
ENERGY: 442 21853.6120 19664.5350 5729.4854 192.9411 -338090.1538 23327.1568 0.0000 0.0000 44880.6322 -222441.7911 163.2634 -267322.4234 -222049.7753 163.2634 -2710.5576 -2229.0695 921491.4634 -2710.5576 -2229.0695
ENERGY: 443 21064.3317 19487.0725 5727.6164 194.9329 -337369.3155 23320.0158 0.0000 0.0000 45118.1110 -222457.2352 164.1273 -267575.3462 -222048.5994 164.1273 -2448.1648 -2220.3530 921491.4634 -2448.1648 -2220.3530
ENERGY: 444 20449.3363 19357.2692 5725.4095 195.8735 -336464.1929 23301.5276 0.0000 0.0000 44987.7181 -222447.0587 163.6530 -267434.7768 -222057.9797 163.6530 -2090.2100 -2206.4399 921491.4634 -2090.2100 -2206.4399
ENERGY: 445 20125.5608 19307.2520 5723.6513 195.6942 -335759.3921 23283.8139 0.0000 0.0000 44708.7158 -222414.7041 162.6380 -267123.4199 -222046.5427 162.6380 -1846.9627 -2201.6926 921491.4634 -1846.9627 -2201.6926
ENERGY: 446 19947.6807 19324.9007 5722.5430 194.3235 -335494.5715 23276.0451 0.0000 0.0000 44620.2948 -222408.7838 162.3164 -267029.0786 -222046.1620 162.3164 -1800.7518 -2216.7294 921491.4634 -1800.7518 -2216.7294
ENERGY: 447 19914.2851 19416.0210 5722.2107 191.8641 -335769.4406 23282.7458 0.0000 0.0000 44816.5090 -222425.8049 163.0301 -267242.3139 -222046.8342 163.0301 -1993.3112 -2253.0603 921491.4634 -1993.3112 -2253.0603
ENERGY: 448 20187.5923 19583.6799 5722.5765 188.5554 -336503.1806 23303.8904 0.0000 0.0000 45065.6677 -222451.2185 163.9365 -267516.8862 -222059.3480 163.9365 -2372.1877 -2303.7898 921491.4634 -2372.1877 -2303.7898
ENERGY: 449 20877.4059 19832.6984 5723.5713 184.8596 -337500.9075 23334.5923 0.0000 0.0000 45101.1682 -222446.6119 164.0657 -267547.7801 -222047.7099 164.0657 -2827.1079 -2356.1406 921491.4634 -2827.1079 -2356.1406
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4852 20108.1297 5724.4776 181.0898 -338419.3251 23364.6243 0.0000 0.0000 44854.3100 -222432.2086 163.1677 -267286.5186 -222048.7860 163.1677 -3116.6755 -2394.3895 921491.4634 -3116.6755 -2394.3895
ENERGY: 451 22355.5902 20357.7252 5724.7144 177.6517 -338952.0909 23381.8007 0.0000 0.0000 44542.6987 -222411.9100 162.0341 -266954.6087 -222048.8245 162.0341 -3074.2532 -2405.7797 921491.4634 -3074.2532 -2405.7797
ENERGY: 452 22246.2015 20536.0132 5723.8953 174.8859 -338927.1537 23378.0944 0.0000 0.0000 44452.9195 -222415.1438 161.7075 -266868.0633 -222059.6369 161.7075 -2659.9605 -2384.7567 921491.4634 -2659.9605 -2384.7567
ENERGY: 453 21399.8726 20641.1309 5722.2879 173.1350 -338392.7933 23354.5908 0.0000 0.0000 44683.7032 -222418.0729 162.5470 -267101.7761 -222043.5370 162.5470 -2048.3339 -2342.4668 921491.4634 -2048.3339 -2342.4668
ENERGY: 454 20248.3380 20654.1372 5720.2218 172.3637 -337567.1415 23320.6902 0.0000 0.0000 45008.1465 -222443.2440 163.7273 -267451.3905 -222041.8390 163.7273 -1453.4579 -2293.1450 921491.4634 -1453.4579 -2293.1450
ENERGY: 455 19486.7907 20584.7119 5718.4844 172.5169 -336790.6454 23290.4024 0.0000 0.0000 45086.5788 -222451.1602 164.0126 -267537.7390 -222040.8569 164.0126 -1151.8824 -2255.8571 921491.4634 -1151.8824 -2255.8571
ENERGY: 456 19493.3723 20440.6799 5717.7556 173.4248 -336350.1079 23274.9633 0.0000 0.0000 44811.4725 -222438.4395 163.0118 -267249.9119 -222055.3485 163.0118 -1305.5004 -2245.5823 921491.4634 -1305.5004 -2245.5823
ENERGY: 457 20047.4931 20251.9434 5718.5580 174.9241 -336395.8169 23277.8276 0.0000 0.0000 44521.8705 -222403.2001 161.9583 -266925.0707 -222049.4132 161.9583 -1906.4165 -2263.5012 921491.4634 -1906.4165 -2263.5012
ENERGY: 458 20585.8436 20019.2722 5720.7061 176.6081 -336835.0964 23294.7175 0.0000 0.0000 44632.7891 -222405.1598 162.3618 -267037.9490 -222051.2821 162.3618 -2684.6987 -2301.0427 921491.4634 -2684.6987 -2301.0427
ENERGY: 459 20903.4945 19784.9690 5724.0022 178.1985 -337468.1649 23318.6985 0.0000 0.0000 45113.9372 -222444.8652 164.1121 -267558.8023 -222053.1410 164.1121 -3350.5831 -2341.5796 921491.4634 -3350.5831 -2341.5796
TIMING: 460 CPU: 216.282, 0.458467/step Wall: 216.282, 0.458467/step, 0.00509408 hours remaining, 3224.066406 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 21262.6139 19597.9065 5728.0972 179.4910 -338014.3774 23341.8003 0.0000 0.0000 45423.8569 -222480.6116 165.2395 -267904.4685 -222064.6835 165.2395 -3669.8202 -2365.2412 921491.4634 -3669.8202 -2365.2412
ENERGY: 461 21862.8764 19507.1078 5732.5753 180.4333 -338251.6222 23355.3937 0.0000 0.0000 45154.6139 -222458.6219 164.2601 -267613.2358 -222058.0506 164.2601 -3556.1666 -2361.1799 921491.4634 -3556.1666 -2361.1799
ENERGY: 462 22264.2256 19487.8113 5736.4823 180.9531 -337988.7175 23351.1087 0.0000 0.0000 44559.9290 -222408.2073 162.0968 -266968.1364 -222056.7213 162.0968 -2954.8200 -2323.4251 921491.4634 -2954.8200 -2323.4251
ENERGY: 463 21821.1791 19513.9021 5738.9361 181.1160 -337284.1032 23326.9478 0.0000 0.0000 44313.4569 -222388.5651 161.2002 -266702.0221 -222054.6241 161.2002 -2012.4424 -2264.0778 921491.4634 -2012.4424 -2264.0778
ENERGY: 464 20535.2458 19559.9277 5739.2519 181.0096 -336389.3844 23291.1943 0.0000 0.0000 44654.0266 -222428.7285 162.4391 -267082.7550 -222058.5729 162.4391 -1050.9227 -2205.5269 921491.4634 -1050.9227 -2205.5269
ENERGY: 465 19322.7826 19631.8858 5737.2899 180.7155 -335701.1536 23259.7392 0.0000 0.0000 45094.5686 -222474.1720 164.0416 -267568.7406 -222052.9388 164.0416 -512.3347 -2174.4009 921491.4634 -512.3347 -2174.4009
ENERGY: 466 19088.4511 19708.3583 5733.2107 180.2808 -335443.7727 23245.0605 0.0000 0.0000 45020.7905 -222467.6206 163.7733 -267488.4112 -222052.9786 163.7733 -630.3314 -2182.6711 921491.4634 -630.3314 -2182.6711
ENERGY: 467 19841.8071 19783.1742 5727.6704 179.7757 -335721.0951 23249.4531 0.0000 0.0000 44523.6662 -222415.5483 161.9649 -266939.2145 -222054.3495 161.9649 -1393.6030 -2232.5924 921491.4634 -1393.6030 -2232.5924
ENERGY: 468 20761.8483 19845.4940 5721.5090 179.2779 -336451.5664 23265.8126 0.0000 0.0000 44291.6583 -222385.9662 161.1209 -266677.6246 -222056.3590 161.1209 -2508.6714 -2314.1339 921491.4634 -2508.6714 -2314.1339
ENERGY: 469 21236.3016 19910.2018 5715.6824 178.8504 -337458.3197 23284.3962 0.0000 0.0000 44720.3201 -222412.5672 162.6802 -267132.8873 -222046.0750 162.6802 -3596.7405 -2405.7971 921491.4634 -3596.7405 -2405.7971
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 19972.8931 5710.9492 178.5947 -338383.2501 23297.0673 0.0000 0.0000 45346.4571 -222466.1156 164.9579 -267812.5727 -222047.6088 164.9579 -4259.6995 -2477.6830 921491.4634 -4259.6995 -2477.6830
ENERGY: 471 21732.8678 20054.6831 5707.9627 178.5890 -338913.2444 23297.5086 0.0000 0.0000 45471.3362 -222470.2970 165.4122 -267941.6332 -222047.5359 165.4122 -4290.5683 -2504.3174 921491.4634 -4290.5683 -2504.3174
ENERGY: 472 22081.2361 20161.5548 5707.0091 178.9047 -338870.6756 23279.4492 0.0000 0.0000 45028.5291 -222433.9927 163.8014 -267462.5218 -222059.5056 163.8014 -3659.7359 -2479.9182 921491.4634 -3659.7359 -2479.9182
ENERGY: 473 21866.1361 20289.3422 5707.9843 179.6165 -338307.7180 23240.7364 0.0000 0.0000 44634.5168 -222389.3857 162.3681 -267023.9025 -222043.8538 162.3681 -2556.3614 -2408.1656 921491.4634 -2556.3614 -2408.1656
ENERGY: 474 20842.9703 20372.0982 5710.2161 180.7466 -337438.4543 23189.2348 0.0000 0.0000 44733.2303 -222409.9580 162.7272 -267143.1883 -222041.2618 162.7272 -1295.5523 -2316.2727 921491.4634 -1295.5523 -2316.2727
ENERGY: 475 19674.2080 20371.7669 5712.9876 182.2512 -336604.2306 23142.3818 0.0000 0.0000 45070.2137 -222450.4214 163.9531 -267520.6351 -222039.4528 163.9531 -344.6448 -2232.2125 921491.4634 -344.6448 -2232.2125
ENERGY: 476 19235.7863 20282.0270 5715.7683 184.0125 -336100.0902 23115.8467 0.0000 0.0000 45106.0633 -222460.5861 164.0835 -267566.6494 -222053.6138 164.0835 -92.4050 -2183.0653 921491.4634 -92.4050 -2183.0653
ENERGY: 477 19704.7252 20145.9809 5718.4976 185.9230 -336101.8793 23114.2940 0.0000 0.0000 44812.3209 -222420.1375 163.0149 -267232.4584 -222044.8412 163.0149 -667.4947 -2171.8229 921491.4634 -667.4947 -2171.8229
ENERGY: 478 20493.4779 19974.7636 5721.0254 187.7262 -336537.4043 23131.2460 0.0000 0.0000 44627.0336 -222402.1315 162.3409 -267029.1651 -222047.4107 162.3409 -1807.1606 -2198.7957 921491.4634 -1807.1606 -2198.7957
ENERGY: 479 21125.3060 19793.3957 5723.3295 189.2099 -337215.5847 23156.6772 0.0000 0.0000 44802.1582 -222425.5083 162.9779 -267227.6665 -222050.5460 162.9779 -3089.8518 -2246.7919 921491.4634 -3089.8518 -2246.7919
TIMING: 480 CPU: 225.445, 0.45816/step Wall: 225.445, 0.45816/step, 0.00254534 hours remaining, 3224.066406 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 19623.1968 5725.3111 190.1901 -337854.6794 23181.5118 0.0000 0.0000 45051.6818 -222458.7549 163.8856 -267510.4367 -222064.6209 163.8856 -4077.7328 -2291.4893 921491.4634 -4077.7328 -2291.4893
ENERGY: 481 22092.4856 19510.0439 5727.0953 190.6351 -338199.2489 23196.7958 0.0000 0.0000 45041.3371 -222440.8562 163.8480 -267482.1933 -222052.5265 163.8480 -4466.2396 -2305.6734 921491.4634 -4466.2396 -2305.6734
ENERGY: 482 22186.3469 19466.6802 5728.4964 190.3598 -338044.5427 23192.7473 0.0000 0.0000 44865.8522 -222414.0599 163.2096 -267279.9122 -222051.4112 163.2096 -4059.3100 -2278.0617 921491.4634 -4059.3100 -2278.0617
ENERGY: 483 21553.1413 19511.5752 5729.5661 189.3227 -337426.2193 23165.8739 0.0000 0.0000 44861.8973 -222414.8429 163.1953 -267276.7402 -222048.7671 163.1953 -2964.1724 -2216.4118 921491.4634 -2964.1724 -2216.4118
ENERGY: 484 20460.8926 19631.1945 5730.2465 187.5455 -336590.8889 23126.1350 0.0000 0.0000 45003.6036 -222451.2713 163.7107 -267454.8749 -222059.8738 163.7107 -1565.2426 -2143.1851 921491.4634 -1565.2426 -2143.1851
ENERGY: 485 19688.7721 19800.2995 5730.5256 185.2458 -335902.5870 23092.8469 0.0000 0.0000 44955.5730 -222449.3241 163.5360 -267404.8971 -222045.9601 163.5360 -422.1570 -2086.8737 921491.4634 -422.1570 -2086.8737
ENERGY: 486 19602.5429 19954.8178 5729.7198 182.4662 -335612.3571 23080.3806 0.0000 0.0000 44645.9121 -222416.5177 162.4096 -267062.4298 -222044.6756 162.4096 87.3179 -2070.0984 921491.4634 87.3179 -2070.0984
ENERGY: 487 19881.0928 20072.0213 5727.4348 179.4360 -335846.4484 23091.0543 0.0000 0.0000 44503.3498 -222392.0595 161.8910 -266895.4093 -222045.2402 161.8910 -192.2348 -2106.8842 921491.4634 -192.2348 -2106.8842
ENERGY: 488 20125.2100 20156.1360 5723.5441 176.4338 -336552.5456 23118.8616 0.0000 0.0000 44827.0562 -222425.3039 163.0685 -267252.3601 -222057.1936 163.0685 -1145.7536 -2194.6681 921491.4634 -1145.7536 -2194.6681
ENERGY: 489 20526.8873 20236.4607 5718.5749 173.8639 -337540.4658 23156.7310 0.0000 0.0000 45266.1009 -222461.8471 164.6656 -267727.9480 -222045.6083 164.6656 -2511.2406 -2316.7068 921491.4634 -2511.2406 -2316.7068
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7491 20292.9020 5712.8912 171.8438 -338458.1362 23196.4877 0.0000 0.0000 45213.5632 -222459.6991 164.4745 -267673.2623 -222048.2205 164.4745 -3823.4040 -2437.4156 921491.4634 -3823.4040 -2437.4156
ENERGY: 491 22430.4641 20312.1358 5707.3795 170.5404 -338984.5793 23226.0937 0.0000 0.0000 44733.0092 -222404.9566 162.7264 -267137.9657 -222049.4636 162.7264 -4629.6936 -2524.6216 921491.4634 -4629.6936 -2524.6216
ENERGY: 492 22612.9547 20289.6808 5702.9944 170.0208 -338937.5816 23232.7206 0.0000 0.0000 44542.1954 -222387.0150 162.0323 -266929.2103 -222060.3859 162.0323 -4606.8525 -2557.4730 921491.4634 -4606.8525 -2557.4730
ENERGY: 493 21558.2187 20260.7371 5700.7779 170.3201 -338358.0634 23214.0538 0.0000 0.0000 45033.8234 -222420.1325 163.8207 -267453.9559 -222046.5900 163.8207 -3796.3819 -2540.0996 921491.4634 -3796.3819 -2540.0996
ENERGY: 494 20068.3365 20225.0258 5700.9806 171.2193 -337454.3838 23183.0798 0.0000 0.0000 45622.2481 -222483.4938 165.9612 -268105.7419 -222044.0866 165.9612 -2500.8992 -2482.1069 921491.4634 -2500.8992 -2482.1069
ENERGY: 495 19383.2463 20186.8298 5703.5926 172.5416 -336566.9892 23159.4628 0.0000 0.0000 45484.1236 -222477.1924 165.4587 -267961.3160 -222041.5562 165.4587 -1249.6837 -2407.3056 921491.4634 -1249.6837 -2407.3056
ENERGY: 496 19722.4835 20130.6471 5708.0350 174.0933 -335998.7162 23154.2640 0.0000 0.0000 44699.5275 -222409.6657 162.6046 -267109.1932 -222049.0667 162.6046 -478.8997 -2343.4750 921491.4634 -478.8997 -2343.4750
ENERGY: 497 20212.6670 20059.9177 5713.4613 175.7242 -335952.5052 23166.3551 0.0000 0.0000 44261.0292 -222363.3507 161.0095 -266624.3799 -222042.7497 161.0095 -421.0232 -2316.7927 921491.4634 -421.0232 -2316.7927
ENERGY: 498 20182.0166 19957.1219 5718.5597 177.2604 -336366.4944 23189.3591 0.0000 0.0000 44728.2537 -222413.9230 162.7091 -267142.1767 -222044.5216 162.7091 -993.4678 -2331.6472 921491.4634 -993.4678 -2331.6472
ENERGY: 499 20158.0679 19847.7315 5722.4090 178.6361 -337058.4836 23219.2410 0.0000 0.0000 45439.2646 -222493.1336 165.2956 -267932.3982 -222047.2059 165.2956 -2020.8686 -2376.3389 921491.4634 -2020.8686 -2376.3389
Info: Benchmark time: 4 CPUs 0.457858 s/step 5.29928 days/ns 3224.07 MB memory
TIMING: 500 CPU: 234.533, 0.454408/step Wall: 234.533, 0.454408/step, 0 hours remaining, 3224.066406 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 20974.8937 19756.6592 5724.4523 179.8271 -337741.4207 23251.1015 0.0000 0.0000 45359.0778 -222495.4091 165.0039 -267854.4869 -222061.0909 165.0039 -3197.5167 -2425.4141 921491.4634 -3197.5167 -2425.4141
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, 3229.320 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.320 MB of memory in use
====================================================
WallClock: 241.317001 CPUTime: 241.317001 Memory: 3229.320312 MB
[Partition 0][Node 0] End of program
Application 1110270 resources: utime ~949s, stime ~18s, Rss ~127052, inblocks ~66552, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.317001
CPU=241.317001
MEM=3229.320312
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 15 14:52 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 15 14:52 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 15 14:52 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 15 14:51 status
-rwxr-xr-x 1 bwjenkins BW_System 189493 Dec 15 14:51 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 15 14:46 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 15 14:46 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 15 14:36 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 15 14:22 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 15 14:22 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 15 14:22 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 15 14:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 15 14:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 15 14:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 15 14:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 15 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/jenkins10553376976841071488.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}
