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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 ============== 54.8
LDB: Largest compute 200 load 0.431023 is 1.2% of average load 36.858112
LDB: Average compute 0.051636 is 0.1% of average load 36.858112
LDB: Partitioning computes with target load 3.685811
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055908
LDB: ============== END OF LOAD BALANCING =============== 54.8022
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.8031
Info: Initial time: 4 CPUs 0.475624 s/step 5.5049 days/ns 3221.56 MB memory
TIMING: 100 CPU: 48.5332, 0.474682/step Wall: 48.5332, 0.474682/step, 0.0527424 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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LDB: ============= START OF LOAD BALANCING ============== 64.2766
LDB: ============== END OF LOAD BALANCING =============== 64.2766
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.2771
TIMING: 120 CPU: 58.0067, 0.473673/step Wall: 58.0067, 0.473673/step, 0.0499988 hours remaining, 3221.687500 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: 67.472, 0.473266/step Wall: 67.472, 0.473266/step, 0.0473266 hours remaining, 3222.042969 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: 76.9295, 0.472874/step Wall: 76.9295, 0.472874/step, 0.0446603 hours remaining, 3222.246094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 178 21917.7899 18733.9559 5737.6245 154.5770 -332975.2976 21015.2133 0.0000 0.0000 43101.1545 -222314.9825 156.7902 -265416.1369 -222126.1322 156.7902 -2936.2257 -2665.7682 921491.4634 -2936.2257 -2665.7682
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TIMING: 180 CPU: 86.3756, 0.472305/step Wall: 86.3756, 0.472305/step, 0.0419827 hours remaining, 3222.246094 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 19266.0406 19234.9571 5686.4352 181.9571 -332240.0937 21043.7459 0.0000 0.0000 44391.5886 -222435.3692 161.4844 -266826.9578 -222129.2888 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2967 19471.4304 5678.7398 184.6336 -333156.1128 21076.9265 0.0000 0.0000 42449.0056 -222222.0802 154.4178 -264671.0857 -222130.9080 154.4178 -3641.8537 -2802.0867 921491.4634 -3641.8537 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 198 21224.0060 18800.3005 5711.3574 186.3640 -333385.5000 21161.1534 0.0000 0.0000 43911.2864 -222391.0323 159.7372 -266302.3187 -222090.4394 159.7372 -4381.6809 -2646.7679 921491.4634 -4381.6809 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 102.091
LDB: Largest compute 200 load 0.426354 is 1.2% of average load 36.676642
LDB: Average compute 0.051374 is 0.1% of average load 36.676642
LDB: TIME 102.093 LOAD: AVG 36.6766 MAX 37.8142 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.63 MB
LDB: TIME 102.095 LOAD: AVG 36.6766 MAX 37.6233 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.63 MB
LDB: ============== END OF LOAD BALANCING =============== 102.097
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 102.1
Info: Initial time: 4 CPUs 0.472844 s/step 5.47273 days/ns 3223.15 MB memory
TIMING: 200 CPU: 95.8275, 0.472597/step Wall: 95.8275, 0.472597/step, 0.0393831 hours remaining, 3223.152344 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 20743.8943 19130.0389 5729.2400 192.0764 -333501.9374 21215.8254 0.0000 0.0000 44059.6986 -222431.1637 160.2771 -266490.8624 -222093.6430 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6123 19486.9556 5734.1463 191.2124 -332722.2199 21188.8403 0.0000 0.0000 45629.4719 -222628.9811 165.9875 -268258.4529 -222116.7003 165.9875 452.9934 -2462.2929 921491.4634 452.9934 -2462.2929
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ENERGY: 207 21693.8032 20338.2891 5726.5434 185.3060 -333603.9793 21289.9002 0.0000 0.0000 42143.6913 -222226.4460 153.3072 -264370.1374 -222103.0933 153.3072 -1896.3478 -2585.9682 921491.4634 -1896.3478 -2585.9682
ENERGY: 208 20293.2703 20371.8904 5718.1572 182.8654 -334789.2379 21322.2411 0.0000 0.0000 44428.6270 -222472.1866 161.6191 -266900.8135 -222122.6315 161.6191 -3669.0643 -2719.7951 921491.4634 -3669.0643 -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 20194.2570 5705.3139 178.4614 -336615.7770 21385.1097 0.0000 0.0000 45251.4333 -222516.0282 164.6123 -267767.4615 -222108.2016 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1928 19985.8633 5704.9373 176.9105 -336667.8928 21415.1478 0.0000 0.0000 43031.7284 -222254.1128 156.5376 -265285.8413 -222106.8541 156.5376 -5900.2977 -2885.1009 921491.4634 -5900.2977 -2885.1009
ENERGY: 212 23739.2708 19730.8223 5710.0295 176.0352 -336013.6228 21412.5984 0.0000 0.0000 42995.1638 -222249.7027 156.4046 -265244.8665 -222104.2319 156.4046 -4424.1001 -2820.3210 921491.4634 -4424.1001 -2820.3210
ENERGY: 213 20150.2159 19524.5249 5720.1722 175.9508 -334874.6443 21380.5553 0.0000 0.0000 45418.7805 -222504.4448 165.2210 -267923.2253 -222097.3835 165.2210 -2174.3116 -2725.0840 921491.4634 -2174.3116 -2725.0840
ENERGY: 214 17315.5528 19421.7449 5733.3059 176.6827 -333645.3936 21358.4486 0.0000 0.0000 46958.4701 -222681.1886 170.8220 -269639.6587 -222093.7408 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5055 19441.9744 5746.5772 178.1492 -332787.3322 21379.5597 0.0000 0.0000 45302.6745 -222527.8917 164.7987 -267830.5662 -222091.0448 164.7987 784.0016 -2554.0367 921491.4634 784.0016 -2554.0367
ENERGY: 216 20973.4717 19522.5061 5756.9571 180.1770 -332560.1062 21436.4837 0.0000 0.0000 42442.1787 -222248.3320 154.3930 -264690.5107 -222073.6158 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3867 19581.4819 5762.2416 182.5517 -333010.6759 21497.2707 0.0000 0.0000 41983.6750 -222225.0684 152.7251 -264208.7434 -222064.4466 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9157 19540.0889 5761.2415 184.9927 -333856.1148 21546.6562 0.0000 0.0000 44178.6836 -222478.5362 160.7099 -266657.2198 -222068.8156 160.7099 -2628.0653 -2703.9746 921491.4634 -2628.0653 -2703.9746
ENERGY: 219 19429.8641 19413.3930 5754.3577 187.2447 -334778.0710 21596.8809 0.0000 0.0000 45751.9297 -222644.4009 166.4329 -268396.3306 -222073.1721 166.4329 -4457.7333 -2810.5236 921491.4634 -4457.7333 -2810.5236
TIMING: 220 CPU: 105.283, 0.472779/step Wall: 105.283, 0.472779/step, 0.0367717 hours remaining, 3223.152344 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: 114.732, 0.472442/step Wall: 114.732, 0.472442/step, 0.0341208 hours remaining, 3223.152344 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 19853.7025 5716.8932 174.1558 -334213.1208 21705.0850 0.0000 0.0000 43600.4183 -222284.3178 158.6063 -265884.7361 -222067.4296 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5287 19979.6441 5712.7400 177.5412 -334802.1844 21719.8454 0.0000 0.0000 44912.1913 -222431.6937 163.3782 -267343.8850 -222068.1394 163.3782 -983.0001 -2552.5930 921491.4634 -983.0001 -2552.5930
ENERGY: 248 19035.4925 20164.4298 5713.8450 181.3144 -335623.1356 21746.4311 0.0000 0.0000 46185.9362 -222595.6867 168.0117 -268781.6229 -222090.3129 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 260 CPU: 124.167, 0.471776/step Wall: 124.167, 0.471776/step, 0.0314517 hours remaining, 3223.574219 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 -335614.9716 21924.4741 0.0000 0.0000 45349.7771 -222527.2805 164.9700 -267877.0577 -222051.1549 164.9700 -2647.8114 -2773.3903 921491.4634 -2647.8114 -2773.3903
ENERGY: 264 19385.2259 20436.4306 5710.6950 187.5052 -334855.9515 21907.7773 0.0000 0.0000 44751.4784 -222476.8390 162.7936 -267228.3174 -222069.1984 162.7936 -2191.1925 -2723.5294 921491.4634 -2191.1925 -2723.5294
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ENERGY: 266 20048.7898 20788.8702 5712.1327 187.6137 -334399.4581 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 20691.2680 5707.0583 187.8501 -334831.4859 21930.8375 0.0000 0.0000 44220.2169 -222446.1647 160.8610 -266666.3815 -222055.6586 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9160 20375.7517 5700.1930 187.9286 -335513.7452 21959.1258 0.0000 0.0000 44823.5377 -222504.2924 163.0557 -267327.8301 -222075.9874 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1932 19450.9167 5690.3173 187.1618 -336650.6775 22028.8071 0.0000 0.0000 44308.0076 -222365.2738 161.1804 -266673.2813 -222067.0434 161.1804 -3583.3634 -2617.7582 921491.4634 -3583.3634 -2617.7582
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ENERGY: 272 21021.5584 18896.0660 5692.8269 184.9335 -335921.4613 22015.0581 0.0000 0.0000 45607.7076 -222503.3109 165.9083 -268111.0185 -222081.1571 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2135 18932.9079 5697.5118 183.8526 -334925.7010 21985.5297 0.0000 0.0000 45502.7161 -222499.9695 165.5264 -268002.6856 -222069.0458 165.5264 -1837.1974 -2434.6759 921491.4634 -1837.1974 -2434.6759
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ENERGY: 276 19401.8501 19594.7506 5701.2547 182.4904 -333292.1279 21971.0410 0.0000 0.0000 44028.5271 -222412.2140 160.1637 -266440.7411 -222072.9395 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2972 19724.7158 5695.5210 182.9396 -333864.3451 21997.2388 0.0000 0.0000 44632.8110 -222481.8217 162.3619 -267114.6328 -222061.0988 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4577 19713.7759 5686.9122 183.6585 -334821.1002 22041.3360 0.0000 0.0000 44532.2539 -222463.7061 161.9961 -266995.9600 -222063.4131 161.9961 -3254.8157 -2593.7696 921491.4634 -3254.8157 -2593.7696
ENERGY: 279 21984.3649 19593.9430 5677.5176 184.5187 -335888.5799 22096.4200 0.0000 0.0000 43975.0879 -222376.7279 159.9693 -266351.8158 -222065.2023 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 133.599, 0.471566/step Wall: 133.599, 0.471566/step, 0.0288179 hours remaining, 3223.574219 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 280 22859.3230 19458.4367 5670.0026 185.3899 -336752.6633 22145.1355 0.0000 0.0000 44066.7337 -222367.6420 160.3027 -266434.3757 -222073.4248 160.3027 -4286.3895 -2748.0547 921491.4634 -4286.3895 -2748.0547
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ENERGY: 282 20943.7897 19615.5381 5669.9796 186.8360 -336942.5036 22176.7655 0.0000 0.0000 45823.3368 -222526.2579 166.6927 -268349.5947 -222063.3317 166.6927 -2992.3271 -2779.3669 921491.4634 -2992.3271 -2779.3669
ENERGY: 283 20432.1059 19966.6617 5678.8138 187.1634 -336251.9203 22171.0649 0.0000 0.0000 45328.8518 -222487.2588 164.8939 -267816.1107 -222060.8461 164.8939 -2008.7736 -2748.2307 921491.4634 -2008.7736 -2748.2307
ENERGY: 284 20506.3997 20401.8825 5692.0830 187.1346 -335412.6302 22166.2910 0.0000 0.0000 44071.4479 -222387.3915 160.3198 -266458.8394 -222061.5541 160.3198 -1267.2790 -2712.3902 921491.4634 -1267.2790 -2712.3902
ENERGY: 285 20203.3286 20789.9632 5707.3565 186.7145 -334827.1968 22167.0166 0.0000 0.0000 43418.2629 -222354.5546 157.9437 -265772.8175 -222053.5967 157.9437 -1010.8437 -2700.0820 921491.4634 -1010.8437 -2700.0820
ENERGY: 286 19396.6309 20966.5625 5721.5032 185.8230 -334658.1152 22176.6864 0.0000 0.0000 43785.6880 -222425.2213 159.2803 -266210.9093 -222054.0583 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1191 20856.7825 5731.9346 184.4714 -334918.1483 22200.2911 0.0000 0.0000 44282.9436 -222485.6060 161.0892 -266768.5496 -222055.7254 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
ENERGY: 288 20263.2089 20475.2853 5736.9558 182.7335 -335468.3150 22237.9038 0.0000 0.0000 44116.9903 -222455.2375 160.4855 -266572.2278 -222066.9053 160.4855 -3310.5880 -2790.1554 921491.4634 -3310.5880 -2790.1554
ENERGY: 289 21886.4834 19928.6979 5736.1905 180.7560 -336126.9123 22279.0691 0.0000 0.0000 43733.4512 -222382.2641 159.0903 -266115.7153 -222062.2724 159.0903 -4368.9816 -2809.8749 921491.4634 -4368.9816 -2809.8749
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 149.321
LDB: Largest compute 200 load 0.521201 is 1.1% of average load 45.766979
LDB: Average compute 0.064115 is 0.1% of average load 45.766979
LDB: TIME 149.323 LOAD: AVG 45.767 MAX 47.2204 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224 MB
LDB: TIME 149.324 LOAD: AVG 45.767 MAX 47.2204 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224 MB
LDB: TIME 149.34 LOAD: AVG 45.767 MAX 46.2857 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224 MB
LDB: ============== END OF LOAD BALANCING =============== 149.341
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 149.342
Info: Initial time: 4 CPUs 0.471863 s/step 5.46138 days/ns 3224 MB memory
TIMING: 300 CPU: 143.036, 0.47184/step Wall: 143.036, 0.47184/step, 0.0262134 hours remaining, 3223.996094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 320 CPU: 152.269, 0.461675/step Wall: 152.269, 0.461675/step, 0.0230837 hours remaining, 3223.996094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 340 CPU: 161.493, 0.461203/step Wall: 161.493, 0.461203/step, 0.0204979 hours remaining, 3223.996094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 360 CPU: 170.715, 0.461096/step Wall: 170.715, 0.461096/step, 0.0179315 hours remaining, 3223.996094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 378 20473.8098 20495.6595 5711.4639 183.2952 -336584.2276 22821.5834 0.0000 0.0000 44474.7536 -222423.6622 161.7869 -266898.4157 -222044.3968 161.7869 -2972.9872 -2523.3499 921491.4634 -2972.9872 -2523.3499
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TIMING: 380 CPU: 179.931, 0.46082/step Wall: 179.931, 0.46082/step, 0.0153607 hours remaining, 3223.996094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 386 19981.2273 19220.9462 5707.6638 175.9384 -334865.1814 22880.7954 0.0000 0.0000 44519.8586 -222378.7516 161.9510 -266898.6102 -222051.0438 161.9510 122.6669 -2011.2428 921491.4634 122.6669 -2011.2428
ENERGY: 387 20367.2859 19202.4842 5710.9355 174.6759 -335109.8721 22905.2740 0.0000 0.0000 44377.1816 -222372.0350 161.4320 -266749.2166 -222053.0050 161.4320 -738.9584 -2019.1688 921491.4634 -738.9584 -2019.1688
ENERGY: 388 20282.3985 19280.0165 5717.2935 173.7038 -335824.1513 22938.2897 0.0000 0.0000 44972.7762 -222459.6731 163.5986 -267432.4493 -222067.4818 163.5986 -2063.8552 -2076.2821 921491.4634 -2063.8552 -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 19692.8113 20133.3595 5716.9814 176.0456 -336812.3380 23014.0583 0.0000 0.0000 45592.7321 -222486.3498 165.8538 -268079.0819 -222045.7224 165.8538 -1710.2236 -2443.6966 921491.4634 -1710.2236 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 195.456
LDB: Largest compute 230 load 0.526186 is 1.2% of average load 45.744353
LDB: Average compute 0.064069 is 0.1% of average load 45.744353
LDB: TIME 195.458 LOAD: AVG 45.7444 MAX 46.1135 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224 MB
LDB: TIME 195.458 LOAD: AVG 45.7444 MAX 46.1135 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224 MB
LDB: TIME 195.459 LOAD: AVG 45.7444 MAX 46.1135 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224 MB
LDB: ============== END OF LOAD BALANCING =============== 195.459
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.46
Info: Benchmark time: 4 CPUs 0.461071 s/step 5.33647 days/ns 3224 MB memory
TIMING: 400 CPU: 189.147, 0.460764/step Wall: 189.147, 0.460764/step, 0.012799 hours remaining, 3223.996094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 403 20784.9695 19778.4826 5715.7218 174.2695 -337239.9780 23077.8402 0.0000 0.0000 45225.5958 -222483.0985 164.5183 -267708.6943 -222046.6855 164.5183 -3613.5979 -2605.7428 921491.4634 -3613.5979 -2605.7428
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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 20661.9899 5710.0857 195.6953 -336157.5875 23063.1718 0.0000 0.0000 44200.2852 -222384.0426 160.7885 -266584.3278 -222052.9649 160.7885 -282.7613 -2224.6897 921491.4634 -282.7613 -2224.6897
ENERGY: 417 20031.3748 20631.3213 5709.0494 192.4696 -336373.1089 23072.1102 0.0000 0.0000 44338.4621 -222398.3214 161.2911 -266736.7835 -222044.6998 161.2911 -112.4552 -2227.1699 921491.4634 -112.4552 -2227.1699
ENERGY: 418 20154.6647 20457.0913 5705.5848 188.6536 -336970.7881 23098.6730 0.0000 0.0000 44915.1424 -222450.9783 163.3889 -267366.1208 -222046.7098 163.3889 -671.8545 -2269.9921 921491.4634 -671.8545 -2269.9921
ENERGY: 419 20790.7630 20185.5527 5700.4811 184.6055 -337717.8770 23139.8027 0.0000 0.0000 45250.3103 -222466.3618 164.6082 -267716.6721 -222049.5955 164.6082 -1783.9421 -2336.6464 921491.4634 -1783.9421 -2336.6464
TIMING: 420 CPU: 198.336, 0.45945/step Wall: 198.336, 0.45945/step, 0.01021 hours remaining, 3223.996094 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: 426 19603.3346 19432.3067 5702.4947 169.0990 -335270.6882 23080.2896 0.0000 0.0000 44862.7386 -222420.4250 163.1983 -267283.1636 -222049.1093 163.1983 -1125.8050 -2237.7214 921491.4634 -1125.8050 -2237.7214
ENERGY: 427 19598.5315 19595.2896 5707.1504 168.7509 -335498.4324 23074.5010 0.0000 0.0000 44915.2775 -222438.9314 163.3894 -267354.2089 -222048.7342 163.3894 -741.9008 -2207.6354 921491.4634 -741.9008 -2207.6354
ENERGY: 428 20140.4227 19760.4169 5710.4629 168.5259 -336199.9853 23087.7680 0.0000 0.0000 44884.2594 -222448.1297 163.2766 -267332.3890 -222058.0549 163.2766 -935.5730 -2206.9582 921491.4634 -935.5730 -2206.9582
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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 20024.3737 5712.1700 168.1897 -338096.9205 23149.4495 0.0000 0.0000 44626.3098 -222402.4406 162.3382 -267028.7504 -222047.3915 162.3382 -2472.2455 -2268.0463 921491.4634 -2472.2455 -2268.0463
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ENERGY: 432 21768.3704 20188.6724 5710.3547 168.1086 -338651.2107 23176.0847 0.0000 0.0000 45177.9909 -222461.6288 164.3451 -267639.6198 -222065.9061 164.3451 -3350.2742 -2296.1497 921491.4634 -3350.2742 -2296.1497
ENERGY: 433 21200.9072 20275.9665 5710.3763 168.4633 -338164.0643 23162.2912 0.0000 0.0000 45192.9284 -222453.1314 164.3995 -267646.0598 -222052.5985 164.3995 -3187.3734 -2272.1276 921491.4634 -3187.3734 -2272.1276
ENERGY: 434 20730.3412 20338.1501 5711.6061 169.3247 -337394.2709 23140.7736 0.0000 0.0000 44883.0997 -222420.9754 163.2724 -267304.0752 -222051.1465 163.2724 -2694.3108 -2227.7885 921491.4634 -2694.3108 -2227.7885
ENERGY: 435 20235.2200 20362.4018 5714.0003 170.8455 -336680.6559 23123.4098 0.0000 0.0000 44675.9839 -222398.7947 162.5190 -267074.7786 -222049.5892 162.5190 -2061.3583 -2179.8951 921491.4634 -2061.3583 -2179.8951
ENERGY: 436 19670.9241 20349.9985 5717.2346 173.0864 -336303.8815 23119.9078 0.0000 0.0000 44847.0983 -222425.6319 163.1414 -267272.7302 -222059.6961 163.1414 -1520.6598 -2145.1617 921491.4634 -1520.6598 -2145.1617
ENERGY: 437 19434.5513 20329.5096 5720.9894 175.9826 -336411.9787 23136.3867 0.0000 0.0000 45159.2688 -222455.2902 164.2770 -267614.5590 -222050.7504 164.2770 -1319.1168 -2134.4848 921491.4634 -1319.1168 -2134.4848
ENERGY: 438 19935.1529 20278.6099 5724.6884 179.3848 -336899.4579 23173.5518 0.0000 0.0000 45148.1325 -222459.9375 164.2365 -267608.0701 -222051.5670 164.2365 -1493.0941 -2145.0881 921491.4634 -1493.0941 -2145.0881
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TIMING: 440 CPU: 207.522, 0.459291/step Wall: 207.522, 0.459291/step, 0.00765486 hours remaining, 3223.996094 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 20036.2373 5729.7527 186.7201 -338123.1811 23276.2484 0.0000 0.0000 44417.5461 -222405.1082 161.5788 -266822.6543 -222059.4776 161.5788 -2408.4613 -2197.9672 921491.4634 -2408.4613 -2197.9672
ENERGY: 441 22355.5487 19860.0409 5730.3488 190.1145 -338361.1720 23313.2043 0.0000 0.0000 44502.6967 -222409.2182 161.8886 -266911.9148 -222050.0863 161.8886 -2716.1029 -2221.5315 921491.4634 -2716.1029 -2221.5315
ENERGY: 442 21853.6118 19664.5349 5729.4855 192.9411 -338090.1538 23327.1565 0.0000 0.0000 44880.6323 -222441.7916 163.2634 -267322.4239 -222049.7758 163.2634 -2710.5578 -2229.0697 921491.4634 -2710.5578 -2229.0697
ENERGY: 443 21064.3316 19487.0722 5727.6165 194.9329 -337369.3154 23320.0155 0.0000 0.0000 45118.1109 -222457.2357 164.1273 -267575.3466 -222048.5999 164.1273 -2448.1650 -2220.3532 921491.4634 -2448.1650 -2220.3532
ENERGY: 444 20449.3364 19357.2689 5725.4096 195.8735 -336464.1927 23301.5273 0.0000 0.0000 44987.7178 -222447.0593 163.6530 -267434.7771 -222057.9803 163.6530 -2090.2102 -2206.4401 921491.4634 -2090.2102 -2206.4401
ENERGY: 445 20125.5608 19307.2516 5723.6513 195.6942 -335759.3917 23283.8136 0.0000 0.0000 44708.7154 -222414.7047 162.6380 -267123.4201 -222046.5433 162.6380 -1846.9629 -2201.6927 921491.4634 -1846.9629 -2201.6927
ENERGY: 446 19947.6803 19324.9005 5722.5430 194.3235 -335494.5709 23276.0448 0.0000 0.0000 44620.2943 -222408.7844 162.3164 -267029.0787 -222046.1626 162.3164 -1800.7520 -2216.7295 921491.4634 -1800.7520 -2216.7295
ENERGY: 447 19914.2845 19416.0209 5722.2107 191.8641 -335769.4399 23282.7456 0.0000 0.0000 44816.5085 -222425.8055 163.0301 -267242.3140 -222046.8348 163.0301 -1993.3114 -2253.0604 921491.4634 -1993.3114 -2253.0604
ENERGY: 448 20187.5918 19583.6799 5722.5765 188.5554 -336503.1795 23303.8902 0.0000 0.0000 45065.6670 -222451.2186 163.9365 -267516.8857 -222059.3482 163.9365 -2372.1878 -2303.7898 921491.4634 -2372.1878 -2303.7898
ENERGY: 449 20877.4057 19832.6985 5723.5713 184.8596 -337500.9066 23334.5922 0.0000 0.0000 45101.1672 -222446.6120 164.0657 -267547.7793 -222047.7100 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 20108.1299 5724.4777 181.0898 -338419.3244 23364.6242 0.0000 0.0000 44854.3089 -222432.2087 163.1676 -267286.5176 -222048.7862 163.1676 -3116.6755 -2394.3896 921491.4634 -3116.6755 -2394.3896
ENERGY: 451 22355.5901 20357.7255 5724.7144 177.6517 -338952.0904 23381.8007 0.0000 0.0000 44542.6979 -222411.9101 162.0341 -266954.6080 -222048.8247 162.0341 -3074.2532 -2405.7797 921491.4634 -3074.2532 -2405.7797
ENERGY: 452 22246.2013 20536.0135 5723.8954 174.8859 -338927.1537 23378.0944 0.0000 0.0000 44452.9189 -222415.1444 161.7075 -266868.0633 -222059.6375 161.7075 -2659.9605 -2384.7568 921491.4634 -2659.9605 -2384.7568
ENERGY: 453 21399.8724 20641.1313 5722.2879 173.1350 -338392.7935 23354.5908 0.0000 0.0000 44683.7025 -222418.0735 162.5470 -267101.7760 -222043.5376 162.5470 -2048.3339 -2342.4668 921491.4634 -2048.3339 -2342.4668
ENERGY: 454 20248.3380 20654.1377 5720.2218 172.3637 -337567.1416 23320.6902 0.0000 0.0000 45008.1456 -222443.2446 163.7273 -267451.3902 -222041.8396 163.7273 -1453.4580 -2293.1451 921491.4634 -1453.4580 -2293.1451
ENERGY: 455 19486.7905 20584.7124 5718.4845 172.5169 -336790.6454 23290.4024 0.0000 0.0000 45086.5779 -222451.1607 164.0126 -267537.7387 -222040.8574 164.0126 -1151.8826 -2255.8572 921491.4634 -1151.8826 -2255.8572
ENERGY: 456 19493.3719 20440.6805 5717.7556 173.4248 -336350.1076 23274.9632 0.0000 0.0000 44811.4718 -222438.4398 163.0118 -267249.9116 -222055.3489 163.0118 -1305.5005 -2245.5823 921491.4634 -1305.5005 -2245.5823
ENERGY: 457 20047.4926 20251.9439 5718.5580 174.9241 -336395.8167 23277.8275 0.0000 0.0000 44521.8699 -222403.2006 161.9583 -266925.0705 -222049.4136 161.9583 -1906.4166 -2263.5013 921491.4634 -1906.4166 -2263.5013
ENERGY: 458 20585.8433 20019.2726 5720.7061 176.6081 -336835.0962 23294.7174 0.0000 0.0000 44632.7885 -222405.1603 162.3618 -267037.9488 -222051.2826 162.3618 -2684.6988 -2301.0428 921491.4634 -2684.6988 -2301.0428
ENERGY: 459 20903.4945 19784.9692 5724.0022 178.1984 -337468.1648 23318.6984 0.0000 0.0000 45113.9365 -222444.8656 164.1121 -267558.8021 -222053.1415 164.1121 -3350.5832 -2341.5797 921491.4634 -3350.5832 -2341.5797
TIMING: 460 CPU: 216.693, 0.458592/step Wall: 216.693, 0.458592/step, 0.00509547 hours remaining, 3223.996094 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 -338014.3770 23341.8002 0.0000 0.0000 45423.8565 -222480.6118 165.2395 -267904.4683 -222064.6838 165.2395 -3669.8202 -2365.2413 921491.4634 -3669.8202 -2365.2413
ENERGY: 461 21862.8761 19507.1076 5732.5753 180.4333 -338251.6219 23355.3936 0.0000 0.0000 45154.6140 -222458.6221 164.2601 -267613.2361 -222058.0509 164.2601 -3556.1666 -2361.1800 921491.4634 -3556.1666 -2361.1800
ENERGY: 462 22264.2253 19487.8110 5736.4823 180.9531 -337988.7173 23351.1086 0.0000 0.0000 44559.9294 -222408.2076 162.0968 -266968.1371 -222056.7216 162.0968 -2954.8201 -2323.4251 921491.4634 -2954.8201 -2323.4251
ENERGY: 463 21821.1789 19513.9017 5738.9361 181.1160 -337284.1031 23326.9477 0.0000 0.0000 44313.4573 -222388.5654 161.2002 -266702.0227 -222054.6244 161.2002 -2012.4425 -2264.0779 921491.4634 -2012.4425 -2264.0779
ENERGY: 464 20535.2460 19559.9273 5739.2518 181.0096 -336389.3842 23291.1941 0.0000 0.0000 44654.0268 -222428.7286 162.4391 -267082.7554 -222058.5730 162.4391 -1050.9228 -2205.5269 921491.4634 -1050.9228 -2205.5269
ENERGY: 465 19322.7827 19631.8855 5737.2899 180.7155 -335701.1535 23259.7390 0.0000 0.0000 45094.5689 -222474.1721 164.0416 -267568.7409 -222052.9389 164.0416 -512.3348 -2174.4009 921491.4634 -512.3348 -2174.4009
ENERGY: 466 19088.4509 19708.3582 5733.2107 180.2808 -335443.7727 23245.0602 0.0000 0.0000 45020.7910 -222467.6207 163.7733 -267488.4118 -222052.9786 163.7733 -630.3316 -2182.6711 921491.4634 -630.3316 -2182.6711
ENERGY: 467 19841.8067 19783.1743 5727.6704 179.7757 -335721.0952 23249.4527 0.0000 0.0000 44523.6669 -222415.5484 161.9649 -266939.2153 -222054.3496 161.9649 -1393.6031 -2232.5925 921491.4634 -1393.6031 -2232.5925
ENERGY: 468 20761.8480 19845.4943 5721.5090 179.2778 -336451.5668 23265.8123 0.0000 0.0000 44291.6589 -222385.9665 161.1209 -266677.6254 -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 44720.3205 -222412.5675 162.6802 -267132.8880 -222046.0752 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 19972.8936 5710.9491 178.5947 -338383.2510 23297.0669 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 21732.8677 20054.6838 5707.9626 178.5890 -338913.2454 23297.5082 0.0000 0.0000 45471.3368 -222470.2973 165.4122 -267941.6341 -222047.5362 165.4122 -4290.5685 -2504.3177 921491.4634 -4290.5685 -2504.3177
ENERGY: 472 22081.2359 20161.5554 5707.0091 178.9047 -338870.6769 23279.4488 0.0000 0.0000 45028.5298 -222433.9932 163.8014 -267462.5230 -222059.5061 163.8014 -3659.7362 -2479.9185 921491.4634 -3659.7362 -2479.9185
ENERGY: 473 21866.1360 20289.3429 5707.9843 179.6165 -338307.7192 23240.7360 0.0000 0.0000 44634.5173 -222389.3862 162.3681 -267023.9035 -222043.8542 162.3681 -2556.3617 -2408.1659 921491.4634 -2556.3617 -2408.1659
ENERGY: 474 20842.9703 20372.0988 5710.2161 180.7466 -337438.4551 23189.2345 0.0000 0.0000 44733.2304 -222409.9584 162.7272 -267143.1888 -222041.2622 162.7272 -1295.5526 -2316.2729 921491.4634 -1295.5526 -2316.2729
ENERGY: 475 19674.2079 20371.7675 5712.9876 182.2512 -336604.2311 23142.3814 0.0000 0.0000 45070.2136 -222450.4219 163.9530 -267520.6354 -222039.4533 163.9530 -344.6451 -2232.2127 921491.4634 -344.6451 -2232.2127
ENERGY: 476 19235.7860 20282.0274 5715.7683 184.0125 -336100.0900 23115.8463 0.0000 0.0000 45106.0631 -222460.5863 164.0835 -267566.6494 -222053.6140 164.0835 -92.4051 -2183.0653 921491.4634 -92.4051 -2183.0653
ENERGY: 477 19704.7248 20145.9812 5718.4976 185.9230 -336101.8786 23114.2936 0.0000 0.0000 44812.3206 -222420.1377 163.0149 -267232.4583 -222044.8414 163.0149 -667.4947 -2171.8229 921491.4634 -667.4947 -2171.8229
ENERGY: 478 20493.4776 19974.7636 5721.0254 187.7262 -336537.4032 23131.2457 0.0000 0.0000 44627.0330 -222402.1317 162.3409 -267029.1647 -222047.4109 162.3409 -1807.1605 -2198.7957 921491.4634 -1807.1605 -2198.7957
ENERGY: 479 21125.3059 19793.3954 5723.3295 189.2099 -337215.5834 23156.6769 0.0000 0.0000 44802.1573 -222425.5085 162.9779 -267227.6658 -222050.5462 162.9779 -3089.8516 -2246.7918 921491.4634 -3089.8516 -2246.7918
TIMING: 480 CPU: 225.858, 0.45823/step Wall: 225.858, 0.45823/step, 0.00254572 hours remaining, 3223.996094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0328 19623.1963 5725.3111 190.1900 -337854.6780 23181.5115 0.0000 0.0000 45051.6809 -222458.7553 163.8856 -267510.4363 -222064.6213 163.8856 -4077.7328 -2291.4893 921491.4634 -4077.7328 -2291.4893
ENERGY: 481 22092.4852 19510.0432 5727.0953 190.6351 -338199.2474 23196.7956 0.0000 0.0000 45041.3364 -222440.8566 163.8480 -267482.1930 -222052.5269 163.8480 -4466.2395 -2305.6735 921491.4634 -4466.2395 -2305.6735
ENERGY: 482 22186.3464 19466.6794 5728.4964 190.3598 -338044.5411 23192.7471 0.0000 0.0000 44865.8516 -222414.0604 163.2096 -267279.9120 -222051.4116 163.2096 -4059.3100 -2278.0617 921491.4634 -4059.3100 -2278.0617
ENERGY: 483 21553.1410 19511.5746 5729.5661 189.3226 -337426.2178 23165.8737 0.0000 0.0000 44861.8964 -222414.8433 163.1952 -267276.7397 -222048.7675 163.1952 -2964.1725 -2216.4118 921491.4634 -2964.1725 -2216.4118
ENERGY: 484 20460.8924 19631.1941 5730.2465 187.5455 -336590.8878 23126.1348 0.0000 0.0000 45003.6026 -222451.2720 163.7107 -267454.8745 -222059.8745 163.7107 -1565.2428 -2143.1852 921491.4634 -1565.2428 -2143.1852
ENERGY: 485 19688.7719 19800.2994 5730.5256 185.2458 -335902.5862 23092.8467 0.0000 0.0000 44955.5719 -222449.3248 163.5360 -267404.8968 -222045.9608 163.5360 -422.1573 -2086.8738 921491.4634 -422.1573 -2086.8738
ENERGY: 486 19602.5424 19954.8179 5729.7198 182.4662 -335612.3566 23080.3805 0.0000 0.0000 44645.9113 -222416.5184 162.4096 -267062.4297 -222044.6763 162.4096 87.3177 -2070.0985 921491.4634 87.3177 -2070.0985
ENERGY: 487 19881.0923 20072.0216 5727.4348 179.4360 -335846.4482 23091.0542 0.0000 0.0000 44503.3492 -222392.0602 161.8910 -266895.4094 -222045.2409 161.8910 -192.2349 -2106.8843 921491.4634 -192.2349 -2106.8843
ENERGY: 488 20125.2098 20156.1365 5723.5441 176.4338 -336552.5453 23118.8614 0.0000 0.0000 44827.0555 -222425.3042 163.0685 -267252.3597 -222057.1939 163.0685 -1145.7536 -2194.6682 921491.4634 -1145.7536 -2194.6682
ENERGY: 489 20526.8872 20236.4613 5718.5749 173.8639 -337540.4657 23156.7308 0.0000 0.0000 45266.1002 -222461.8474 164.6656 -267727.9475 -222045.6086 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 21410.7490 20292.9026 5712.8912 171.8438 -338458.1363 23196.4876 0.0000 0.0000 45213.5627 -222459.6994 164.4745 -267673.2621 -222048.2208 164.4745 -3823.4040 -2437.4157 921491.4634 -3823.4040 -2437.4157
ENERGY: 491 22430.4639 20312.1365 5707.3795 170.5404 -338984.5794 23226.0935 0.0000 0.0000 44733.0088 -222404.9569 162.7264 -267137.9657 -222049.4639 162.7264 -4629.6935 -2524.6217 921491.4634 -4629.6935 -2524.6217
ENERGY: 492 22612.9545 20289.6814 5702.9944 170.0208 -338937.5816 23232.7204 0.0000 0.0000 44542.1949 -222387.0153 162.0323 -266929.2101 -222060.3862 162.0323 -4606.8526 -2557.4731 921491.4634 -4606.8526 -2557.4731
ENERGY: 493 21558.2186 20260.7377 5700.7779 170.3201 -338358.0631 23214.0535 0.0000 0.0000 45033.8226 -222420.1328 163.8207 -267453.9553 -222046.5902 163.8207 -3796.3820 -2540.0997 921491.4634 -3796.3820 -2540.0997
ENERGY: 494 20068.3364 20225.0263 5700.9805 171.2193 -337454.3831 23183.0794 0.0000 0.0000 45622.2470 -222483.4941 165.9612 -268105.7411 -222044.0869 165.9612 -2500.8994 -2482.1069 921491.4634 -2500.8994 -2482.1069
ENERGY: 495 19383.2460 20186.8301 5703.5926 172.5416 -336566.9880 23159.4624 0.0000 0.0000 45484.1227 -222477.1927 165.4587 -267961.3153 -222041.5565 165.4587 -1249.6838 -2407.3056 921491.4634 -1249.6838 -2407.3056
ENERGY: 496 19722.4829 20130.6471 5708.0350 174.0933 -335998.7146 23154.2635 0.0000 0.0000 44699.5267 -222409.6660 162.6046 -267109.1927 -222049.0670 162.6046 -478.8997 -2343.4750 921491.4634 -478.8997 -2343.4750
ENERGY: 497 20212.6664 20059.9174 5713.4613 175.7242 -335952.5032 23166.3545 0.0000 0.0000 44261.0284 -222363.3510 161.0095 -266624.3795 -222042.7500 161.0095 -421.0231 -2316.7927 921491.4634 -421.0231 -2316.7927
ENERGY: 498 20182.0163 19957.1212 5718.5596 177.2604 -336366.4923 23189.3585 0.0000 0.0000 44728.2528 -222413.9233 162.7091 -267142.1761 -222044.5219 162.7091 -993.4678 -2331.6472 921491.4634 -993.4678 -2331.6472
ENERGY: 499 20158.0678 19847.7305 5722.4089 178.6361 -337058.4813 23219.2404 0.0000 0.0000 45439.2636 -222493.1339 165.2956 -267932.3974 -222047.2062 165.2956 -2020.8686 -2376.3389 921491.4634 -2020.8686 -2376.3389
Info: Benchmark time: 4 CPUs 0.458031 s/step 5.30128 days/ns 3224 MB memory
TIMING: 500 CPU: 234.95, 0.454597/step Wall: 234.95, 0.454597/step, 0 hours remaining, 3223.996094 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 19756.6581 5724.4523 179.8271 -337741.4182 23251.1008 0.0000 0.0000 45359.0769 -222495.4093 165.0039 -267854.4862 -222061.0912 165.0039 -3197.5168 -2425.4143 921491.4634 -3197.5168 -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, 3229.250 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.250 MB of memory in use
====================================================
WallClock: 242.147507 CPUTime: 242.147507 Memory: 3229.250000 MB
[Partition 0][Node 0] End of program
Application 1110818 resources: utime ~951s, stime ~19s, Rss ~126624, inblocks ~66552, outblocks ~71878
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=242.147507
CPU=242.147507
MEM=3229.250000
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 17 06:50 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 17 06:50 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 17 06:50 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 17 06:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189450 Dec 17 06:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 17 06:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 17 06:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 17 06:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 17 06:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 17 06:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 17 06:22 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 17 06:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 17 06:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 17 06:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 17 06:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 17 06:21 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/jenkins10630189019225729201.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}
