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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 ============== 54.509
LDB: Largest compute 200 load 0.427880 is 1.2% of average load 36.847163
LDB: Average compute 0.051617 is 0.1% of average load 36.847163
LDB: Partitioning computes with target load 3.684716
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055896
LDB: ============== END OF LOAD BALANCING =============== 54.5112
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.512
Info: Initial time: 4 CPUs 0.473581 s/step 5.48126 days/ns 3221.45 MB memory
TIMING: 100 CPU: 48.3275, 0.472597/step Wall: 48.3275, 0.472597/step, 0.0525108 hours remaining, 3221.445312 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 ============== 63.9467
LDB: ============== END OF LOAD BALANCING =============== 63.9468
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9472
TIMING: 120 CPU: 57.7615, 0.471695/step Wall: 57.7615, 0.471695/step, 0.0497901 hours remaining, 3221.718750 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: 131 21530.9956 19804.6627 5745.0872 187.0957 -335083.2645 21105.7069 0.0000 0.0000 44221.5103 -222488.2060 160.8657 -266709.7164 -222215.1806 160.8657 -5164.7864 -2872.9597 921491.4634 -5164.7864 -2872.9597
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ENERGY: 136 18381.4539 21453.0792 5750.0867 193.4037 -332655.7488 21006.3295 0.0000 0.0000 43348.3541 -222523.0417 157.6894 -265871.3958 -222211.0693 157.6894 198.1851 -2776.3542 921491.4634 198.1851 -2776.3542
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ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8377 -222213.1814 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.1901, 0.471431/step Wall: 67.1901, 0.471431/step, 0.0471431 hours remaining, 3221.851562 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 17997.1578 5722.1741 192.2140 -333726.9443 21127.4061 0.0000 0.0000 45144.2513 -222551.1434 164.2224 -267695.3947 -222224.0362 164.2224 -5617.7628 -3080.3639 921491.4634 -5617.7628 -3080.3639
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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: 76.607, 0.470848/step Wall: 76.607, 0.470848/step, 0.044469 hours remaining, 3222.164062 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 21917.7900 18733.9559 5737.6245 154.5770 -332975.2976 21015.2132 0.0000 0.0000 43101.1545 -222314.9824 156.7902 -265416.1369 -222126.1321 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 86.0133, 0.470316/step Wall: 86.0133, 0.470316/step, 0.0418059 hours remaining, 3222.164062 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 19234.9569 5686.4352 181.9571 -332240.0937 21043.7459 0.0000 0.0000 44391.5888 -222435.3692 161.4844 -266826.9580 -222129.2889 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2967 19471.4302 5678.7398 184.6336 -333156.1127 21076.9265 0.0000 0.0000 42449.0056 -222222.0802 154.4178 -264671.0858 -222130.9081 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 198 21224.0061 18800.3006 5711.3574 186.3640 -333385.4998 21161.1533 0.0000 0.0000 43911.2863 -222391.0321 159.7372 -266302.3184 -222090.4392 159.7372 -4381.6809 -2646.7680 921491.4634 -4381.6809 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.605
LDB: Largest compute 200 load 0.422851 is 1.2% of average load 36.668120
LDB: Average compute 0.051359 is 0.1% of average load 36.668120
LDB: TIME 101.607 LOAD: AVG 36.6681 MAX 37.6579 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.54 MB
LDB: TIME 101.609 LOAD: AVG 36.6681 MAX 37.5678 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.54 MB
LDB: ============== END OF LOAD BALANCING =============== 101.611
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.614
Info: Initial time: 4 CPUs 0.470876 s/step 5.44995 days/ns 3223.41 MB memory
TIMING: 200 CPU: 95.4249, 0.47058/step Wall: 95.4249, 0.47058/step, 0.039215 hours remaining, 3223.406250 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: 203 20743.8945 19130.0388 5729.2400 192.0764 -333501.9369 21215.8254 0.0000 0.0000 44059.6986 -222431.1633 160.2771 -266490.8619 -222093.6425 160.2771 -1046.8257 -2512.4434 921491.4634 -1046.8257 -2512.4434
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ENERGY: 208 20293.2703 20371.8902 5718.1572 182.8654 -334789.2376 21322.2410 0.0000 0.0000 44428.6270 -222472.1865 161.6191 -266900.8135 -222122.6314 161.6191 -3669.0642 -2719.7951 921491.4634 -3669.0642 -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 -222516.0282 164.6123 -267767.4616 -222108.2016 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -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 -222249.7027 156.4046 -265244.8665 -222104.2319 156.4046 -4424.1001 -2820.3210 921491.4634 -4424.1001 -2820.3210
ENERGY: 213 20150.2160 19524.5249 5720.1722 175.9508 -334874.6444 21380.5552 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2253 -222097.3835 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5529 19421.7449 5733.3059 176.6827 -333645.3938 21358.4486 0.0000 0.0000 46958.4702 -222681.1885 170.8220 -269639.6587 -222093.7407 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5056 19441.9745 5746.5772 178.1492 -332787.3324 21379.5597 0.0000 0.0000 45302.6745 -222527.8917 164.7987 -267830.5662 -222091.0447 164.7987 784.0014 -2554.0368 921491.4634 784.0014 -2554.0368
ENERGY: 216 20973.4717 19522.5063 5756.9571 180.1770 -332560.1063 21436.4836 0.0000 0.0000 42442.1787 -222248.3318 154.3930 -264690.5105 -222073.6156 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3867 19581.4821 5762.2416 182.5517 -333010.6759 21497.2706 0.0000 0.0000 41983.6750 -222225.0682 152.7251 -264208.7432 -222064.4464 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9157 19540.0891 5761.2415 184.9927 -333856.1148 21546.6561 0.0000 0.0000 44178.6836 -222478.5360 160.7099 -266657.2196 -222068.8155 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
ENERGY: 219 19429.8640 19413.3931 5754.3577 187.2447 -334778.0709 21596.8809 0.0000 0.0000 45751.9297 -222644.4007 166.4329 -268396.3304 -222073.1720 166.4329 -4457.7332 -2810.5236 921491.4634 -4457.7332 -2810.5236
TIMING: 220 CPU: 104.855, 0.471511/step Wall: 104.855, 0.471511/step, 0.0366731 hours remaining, 3223.406250 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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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: 114.277, 0.471105/step Wall: 114.277, 0.471105/step, 0.0340243 hours remaining, 3223.406250 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: 246 20878.5481 19853.7024 5716.8932 174.1558 -334213.1206 21705.0852 0.0000 0.0000 43600.4183 -222284.3177 158.6063 -265884.7360 -222067.4295 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5287 19979.6440 5712.7400 177.5412 -334802.1843 21719.8455 0.0000 0.0000 44912.1913 -222431.6936 163.3782 -267343.8849 -222068.1393 163.3782 -983.0001 -2552.5931 921491.4634 -983.0001 -2552.5931
ENERGY: 248 19035.4925 20164.4297 5713.8450 181.3144 -335623.1358 21746.4312 0.0000 0.0000 46185.9362 -222595.6868 168.0117 -268781.6230 -222090.3130 168.0117 -1359.1248 -2608.3066 921491.4634 -1359.1248 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9040 20013.1601 5733.2541 193.8023 -336093.2679 21826.9297 0.0000 0.0000 43905.3719 -222425.8458 159.7157 -266331.2178 -222091.3307 159.7157 -3843.4681 -2758.0339 921491.4634 -3843.4681 -2758.0339
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ENERGY: 256 20899.4410 18950.9577 5693.4518 195.6570 -332975.5975 21757.6849 0.0000 0.0000 43181.1612 -222297.2440 157.0812 -265478.4052 -222071.2741 157.0812 -2042.2410 -2664.5199 921491.4634 -2042.2410 -2664.5199
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TIMING: 260 CPU: 123.69, 0.470643/step Wall: 123.69, 0.470643/step, 0.0313762 hours remaining, 3223.785156 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 20140.5621 5703.8103 187.9445 -335614.9713 21924.4741 0.0000 0.0000 45349.7770 -222527.2805 164.9700 -267877.0575 -222051.1548 164.9700 -2647.8114 -2773.3902 921491.4634 -2647.8114 -2773.3902
ENERGY: 264 19385.2261 20436.4304 5710.6950 187.5052 -334855.9513 21907.7774 0.0000 0.0000 44751.4783 -222476.8389 162.7936 -267228.3172 -222069.1984 162.7936 -2191.1926 -2723.5293 921491.4634 -2191.1926 -2723.5293
ENERGY: 265 19946.8416 20681.9925 5713.6241 187.4392 -334395.6635 21906.0165 0.0000 0.0000 43607.6375 -222352.1121 158.6326 -265959.7496 -222054.3372 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7900 20788.8700 5712.1327 187.6137 -334399.4581 21914.4806 0.0000 0.0000 43399.3798 -222348.1912 157.8750 -265747.5710 -222054.3635 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0907 20691.2679 5707.0583 187.8501 -334831.4860 21930.8376 0.0000 0.0000 44220.2169 -222446.1646 160.8610 -266666.3815 -222055.6585 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9162 20375.7517 5700.1930 187.9286 -335513.7455 21959.1259 0.0000 0.0000 44823.5376 -222504.2925 163.0557 -267327.8301 -222075.9875 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
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ENERGY: 272 21021.5583 18896.0663 5692.8269 184.9335 -335921.4615 22015.0581 0.0000 0.0000 45607.7075 -222503.3109 165.9083 -268111.0184 -222081.1571 165.9083 -2551.9682 -2501.8804 921491.4634 -2551.9682 -2501.8804
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7012 21985.5297 0.0000 0.0000 45502.7160 -222499.9694 165.5264 -268002.6854 -222069.0457 165.5264 -1837.1974 -2434.6759 921491.4634 -1837.1974 -2434.6759
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ENERGY: 276 19401.8502 19594.7506 5701.2547 182.4904 -333292.1280 21971.0411 0.0000 0.0000 44028.5271 -222412.2140 160.1637 -266440.7410 -222072.9394 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2973 19724.7158 5695.5210 182.9396 -333864.3452 21997.2388 0.0000 0.0000 44632.8110 -222481.8217 162.3619 -267114.6327 -222061.0987 162.3619 -2311.7545 -2498.0544 921491.4634 -2311.7545 -2498.0544
ENERGY: 278 20199.4579 19713.7758 5686.9122 183.6585 -334821.1002 22041.3360 0.0000 0.0000 44532.2537 -222463.7060 161.9961 -266995.9598 -222063.4130 161.9961 -3254.8157 -2593.7696 921491.4634 -3254.8157 -2593.7696
ENERGY: 279 21984.3650 19593.9430 5677.5176 184.5187 -335888.5798 22096.4200 0.0000 0.0000 43975.0877 -222376.7278 159.9693 -266351.8155 -222065.2023 159.9693 -4044.3213 -2682.8389 921491.4634 -4044.3213 -2682.8389
TIMING: 280 CPU: 133.086, 0.469787/step Wall: 133.086, 0.469787/step, 0.0287092 hours remaining, 3223.785156 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 20943.7897 19615.5378 5669.9796 186.8360 -336942.5032 22176.7656 0.0000 0.0000 45823.3369 -222526.2577 166.6927 -268349.5945 -222063.3315 166.6927 -2992.3269 -2779.3667 921491.4634 -2992.3269 -2779.3667
ENERGY: 283 20432.1060 19966.6614 5678.8137 187.1634 -336251.9199 22171.0649 0.0000 0.0000 45328.8519 -222487.2586 164.8939 -267816.1104 -222060.8458 164.8939 -2008.7735 -2748.2306 921491.4634 -2008.7735 -2748.2306
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ENERGY: 285 20203.3287 20789.9630 5707.3565 186.7145 -334827.1970 22167.0167 0.0000 0.0000 43418.2630 -222354.5546 157.9437 -265772.8177 -222053.5968 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6310 20966.5624 5721.5031 185.8230 -334658.1154 22176.6864 0.0000 0.0000 43785.6881 -222425.2214 159.2803 -266210.9094 -222054.0583 159.2803 -1306.7504 -2717.2847 921491.4634 -1306.7504 -2717.2847
ENERGY: 287 19176.1192 20856.7826 5731.9346 184.4714 -334918.1486 22200.2911 0.0000 0.0000 44282.9435 -222485.6060 161.0892 -266768.5495 -222055.7254 161.0892 -2148.9615 -2753.3345 921491.4634 -2148.9615 -2753.3345
ENERGY: 288 20263.2090 20475.2855 5736.9557 182.7335 -335468.3152 22237.9039 0.0000 0.0000 44116.9901 -222455.2376 160.4855 -266572.2276 -222066.9053 160.4855 -3310.5880 -2790.1553 921491.4634 -3310.5880 -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 22615.9843 19325.5268 5730.3279 178.6973 -336571.4575 22308.2176 0.0000 0.0000 44027.4233 -222385.2803 160.1597 -266412.7036 -222063.4684 160.1597 -4815.3285 -2796.0390 921491.4634 -4815.3285 -2796.0390
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LDB: ============= START OF LOAD BALANCING ============== 148.681
LDB: Largest compute 200 load 0.520602 is 1.1% of average load 45.773867
LDB: Average compute 0.064129 is 0.1% of average load 45.773867
LDB: TIME 148.683 LOAD: AVG 45.7739 MAX 47.0673 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.2 MB
LDB: TIME 148.684 LOAD: AVG 45.7739 MAX 47.0673 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.2 MB
LDB: TIME 148.7 LOAD: AVG 45.7739 MAX 46.2985 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.2 MB
LDB: ============== END OF LOAD BALANCING =============== 148.7
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.702
Info: Initial time: 4 CPUs 0.470385 s/step 5.44427 days/ns 3224.2 MB memory
TIMING: 300 CPU: 142.484, 0.469908/step Wall: 142.484, 0.469908/step, 0.026106 hours remaining, 3224.203125 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 21869.9880 20174.1889 5731.6694 182.6816 -337209.9031 22385.4782 0.0000 0.0000 44423.7996 -222442.0974 161.6016 -266865.8970 -222076.5870 161.6016 -4600.9408 -2563.6019 921491.4634 -4600.9408 -2563.6019
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ENERGY: 302 21723.0646 20395.7908 5720.2599 184.8676 -337483.0153 22416.9294 0.0000 0.0000 44599.2669 -222442.8362 162.2399 -267042.1031 -222057.3401 162.2399 -3958.8647 -2554.2736 921491.4634 -3958.8647 -2554.2736
ENERGY: 303 21512.5328 20430.0802 5712.5286 185.2198 -336784.9552 22409.2050 0.0000 0.0000 44154.6908 -222380.6980 160.6226 -266535.3889 -222054.2090 160.6226 -2717.2718 -2487.9822 921491.4634 -2717.2718 -2487.9822
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ENERGY: 308 21066.5790 19666.1170 5720.7563 184.4262 -335495.7178 22443.3092 0.0000 0.0000 44039.4390 -222375.0911 160.2034 -266414.5301 -222060.2282 160.2034 -1960.6041 -2406.6005 921491.4634 -1960.6041 -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: 151.717, 0.461662/step Wall: 151.717, 0.461662/step, 0.0230831 hours remaining, 3224.203125 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 20957.0457 5696.1855 180.4970 -337965.9628 22565.0703 0.0000 0.0000 43989.5237 -222398.6337 160.0218 -266388.1574 -222063.6576 160.0218 -4596.8827 -2640.5012 921491.4634 -4596.8827 -2640.5012
ENERGY: 323 21976.7004 21085.8082 5695.4506 181.8003 -337194.0744 22550.8104 0.0000 0.0000 43361.4900 -222342.0146 157.7372 -265703.5046 -222061.4465 157.7372 -3808.3604 -2616.6943 921491.4634 -3808.3604 -2616.6943
ENERGY: 324 20558.5068 20952.0216 5690.8581 183.3007 -336170.3975 22520.5741 0.0000 0.0000 43857.2498 -222407.8864 159.5406 -266265.1362 -222068.7483 159.5406 -2506.6900 -2573.6930 921491.4634 -2506.6900 -2573.6930
ENERGY: 325 19096.1753 20584.7380 5683.7432 184.8442 -335297.0514 22494.0545 0.0000 0.0000 44763.3952 -222490.1011 162.8369 -267253.4963 -222060.9513 162.8369 -1264.0246 -2529.6546 921491.4634 -1264.0246 -2529.6546
ENERGY: 326 18959.6362 20052.8006 5675.9627 186.2078 -334820.0106 22490.4169 0.0000 0.0000 44971.8220 -222483.1643 163.5951 -267454.9863 -222059.6109 163.5951 -572.2143 -2503.0558 921491.4634 -572.2143 -2503.0558
ENERGY: 327 20020.7821 19506.2796 5669.7116 187.2139 -334851.2531 22513.0146 0.0000 0.0000 44550.7423 -222403.5090 162.0634 -266954.2513 -222059.8761 162.0634 -657.4992 -2506.5014 921491.4634 -657.4992 -2506.5014
ENERGY: 328 20934.1978 19092.0092 5666.7484 187.7399 -335303.4711 22549.7453 0.0000 0.0000 44493.2355 -222379.7950 161.8542 -266873.0305 -222061.7261 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
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ENERGY: 332 22513.8606 19292.8539 5689.3391 185.0892 -336383.5020 22636.4044 0.0000 0.0000 43697.6284 -222368.3263 158.9600 -266065.9547 -222061.8462 158.9600 -4514.5070 -2704.7030 921491.4634 -4514.5070 -2704.7030
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ENERGY: 336 19127.9135 19639.0991 5698.6022 180.2744 -334271.7853 22519.6998 0.0000 0.0000 44649.6648 -222456.5316 162.4232 -267106.1964 -222055.6201 162.4232 -1093.5006 -2488.8702 921491.4634 -1093.5006 -2488.8702
ENERGY: 337 20420.1634 19649.7060 5693.3319 179.7347 -334824.3556 22536.4223 0.0000 0.0000 43995.5998 -222349.3976 160.0439 -266344.9974 -222040.1025 160.0439 -1064.7184 -2460.5859 921491.4634 -1064.7184 -2460.5859
ENERGY: 338 21007.5745 19722.4640 5687.5590 179.5437 -335808.8618 22564.1944 0.0000 0.0000 44285.9174 -222361.6088 161.1000 -266647.5262 -222041.5958 161.1000 -1500.9499 -2462.8576 921491.4634 -1500.9499 -2462.8576
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TIMING: 340 CPU: 160.947, 0.461465/step Wall: 160.947, 0.461465/step, 0.0205095 hours remaining, 3224.203125 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 22895.9213 20582.1013 5689.2420 181.0293 -337942.4476 22653.2571 0.0000 0.0000 43612.4989 -222328.3977 158.6503 -265940.8965 -222054.3603 158.6503 -3711.7546 -2460.9855 921491.4634 -3711.7546 -2460.9855
ENERGY: 343 21993.5595 20596.8909 5695.1198 181.5548 -337132.3420 22633.1273 0.0000 0.0000 43686.5574 -222345.5324 158.9197 -266032.0897 -222053.2449 158.9197 -3217.8263 -2399.3476 921491.4634 -3217.8263 -2399.3476
ENERGY: 344 19898.5079 20447.2070 5699.9573 182.0106 -336095.2681 22596.5928 0.0000 0.0000 44790.9363 -222480.0561 162.9371 -267270.9924 -222071.3580 162.9371 -2338.1160 -2329.7493 921491.4634 -2338.1160 -2329.7493
ENERGY: 345 18694.7359 20199.0884 5702.3270 182.4513 -335224.1279 22568.7537 0.0000 0.0000 45351.4659 -222525.3057 164.9762 -267876.7717 -222058.0557 164.9762 -1576.2391 -2261.7960 921491.4634 -1576.2391 -2261.7960
ENERGY: 346 19350.9890 19892.9544 5701.0894 182.7368 -334783.0726 22565.1337 0.0000 0.0000 44652.5018 -222437.6675 162.4335 -267090.1693 -222056.8258 162.4335 -1239.3023 -2211.7781 921491.4634 -1239.3023 -2211.7781
ENERGY: 347 20669.8295 19583.9410 5696.3950 182.8447 -334881.4389 22581.1982 0.0000 0.0000 43831.1328 -222336.0977 159.4456 -266167.2305 -222056.9475 159.4456 -1358.8147 -2194.9212 921491.4634 -1358.8147 -2194.9212
ENERGY: 348 21062.2471 19315.9902 5689.3479 182.7918 -335425.6671 22604.2201 0.0000 0.0000 44195.9877 -222375.0823 160.7729 -266571.0700 -222064.0951 160.7729 -1766.2767 -2218.9158 921491.4634 -1766.2767 -2218.9158
ENERGY: 349 20718.9514 19143.3230 5681.9008 182.6959 -336197.3785 22630.4375 0.0000 0.0000 45349.6295 -222490.4404 164.9695 -267840.0699 -222056.3112 164.9695 -2336.6407 -2270.6250 921491.4634 -2336.6407 -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 21009.3450 19066.8675 5675.7227 182.5405 -336836.8357 22661.9755 0.0000 0.0000 45710.0735 -222530.3109 166.2807 -268240.3845 -222058.0880 166.2807 -2896.5509 -2326.8868 921491.4634 -2896.5509 -2326.8868
ENERGY: 351 22235.3179 19085.8714 5672.3994 182.3762 -337072.3448 22693.2958 0.0000 0.0000 44770.4134 -222432.6707 162.8625 -267203.0842 -222058.6359 162.8625 -3254.0185 -2369.0507 921491.4634 -3254.0185 -2369.0507
ENERGY: 352 22912.9248 19180.1282 5672.7329 182.2243 -336794.7856 22708.6920 0.0000 0.0000 43795.3990 -222342.6843 159.3156 -266138.0833 -222059.3899 159.3156 -3190.0136 -2394.0289 921491.4634 -3190.0136 -2394.0289
ENERGY: 353 21825.9774 19344.0937 5676.6445 182.1014 -336147.6549 22699.4233 0.0000 0.0000 44043.1854 -222376.2293 160.2170 -266419.4147 -222047.6764 160.2170 -2709.1541 -2407.4663 921491.4634 -2709.1541 -2407.4663
ENERGY: 354 19814.0380 19544.5091 5682.7360 181.9868 -335375.1823 22676.8667 0.0000 0.0000 44983.0756 -222491.9701 163.6361 -267475.0457 -222046.2244 163.6361 -2040.9898 -2415.4742 921491.4634 -2040.9898 -2415.4742
ENERGY: 355 18879.8418 19773.7507 5689.2466 181.9196 -334823.9957 22664.4421 0.0000 0.0000 45120.2678 -222514.5272 164.1351 -267634.7950 -222044.8384 164.1351 -1600.3169 -2424.6827 921491.4634 -1600.3169 -2424.6827
ENERGY: 356 19622.4371 20015.8108 5694.4280 181.9402 -334758.7695 22674.4079 0.0000 0.0000 44153.0885 -222416.6569 160.6168 -266569.7454 -222053.0966 160.6168 -1622.0264 -2446.8266 921491.4634 -1622.0264 -2446.8266
ENERGY: 357 20687.2713 20255.1054 5697.1707 182.0215 -335288.0649 22700.2948 0.0000 0.0000 43438.0178 -222328.1834 158.0156 -265766.2012 -222042.2334 158.0156 -2061.3609 -2486.6663 921491.4634 -2061.3609 -2486.6663
ENERGY: 358 20785.4067 20424.8428 5696.9832 182.1295 -336225.9483 22730.2418 0.0000 0.0000 44019.5824 -222386.7619 160.1311 -266406.3443 -222043.9949 160.1311 -2636.8583 -2541.3594 921491.4634 -2636.8583 -2541.3594
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TIMING: 360 CPU: 170.165, 0.460933/step Wall: 170.165, 0.460933/step, 0.0179252 hours remaining, 3224.203125 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 179.8274 -335728.0877 22808.6651 0.0000 0.0000 44272.8408 -222417.2795 161.0524 -266690.1203 -222068.2914 161.0524 -2928.4888 -2487.3071 921491.4634 -2928.4888 -2487.3071
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 377 20646.4609 20251.1591 5706.5521 182.3249 -335763.5801 22794.3772 0.0000 0.0000 43848.2756 -222334.4303 159.5080 -266182.7059 -222041.4013 159.5080 -1819.5858 -2472.4985 921491.4634 -1819.5858 -2472.4985
ENERGY: 378 20473.8101 20495.6594 5711.4639 183.2952 -336584.2279 22821.5835 0.0000 0.0000 44474.7538 -222423.6622 161.7869 -266898.4159 -222044.3968 161.7869 -2972.9874 -2523.3498 921491.4634 -2972.9874 -2523.3498
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TIMING: 380 CPU: 179.381, 0.460785/step Wall: 179.381, 0.460785/step, 0.0153595 hours remaining, 3224.203125 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: 384 19625.4113 19596.0353 5710.5349 179.0647 -336052.0485 22884.2531 0.0000 0.0000 45539.1835 -222517.5658 165.6590 -268056.7493 -222062.0925 165.6590 -569.2379 -2166.9358 921491.4634 -569.2379 -2166.9358
ENERGY: 385 19327.8181 19356.8911 5707.7751 177.4354 -335210.6400 22871.6141 0.0000 0.0000 45299.7172 -222469.3889 164.7879 -267769.1062 -222051.0993 164.7879 215.3514 -2064.3637 921491.4634 215.3514 -2064.3637
ENERGY: 386 19981.2274 19220.9464 5707.6637 175.9385 -334865.1816 22880.7955 0.0000 0.0000 44519.8587 -222378.7515 161.9510 -266898.6102 -222051.0437 161.9510 122.6668 -2011.2429 921491.4634 122.6668 -2011.2429
ENERGY: 387 20367.2862 19202.4844 5710.9354 174.6759 -335109.8724 22905.2740 0.0000 0.0000 44377.1815 -222372.0349 161.4320 -266749.2164 -222053.0050 161.4320 -738.9588 -2019.1690 921491.4634 -738.9588 -2019.1690
ENERGY: 388 20282.3989 19280.0168 5717.2934 173.7038 -335824.1518 22938.2897 0.0000 0.0000 44972.7760 -222459.6732 163.5986 -267432.4492 -222067.4818 163.5986 -2063.8558 -2076.2823 921491.4634 -2063.8558 -2076.2823
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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: 397 19906.7784 20200.7712 5721.4919 176.2273 -336102.8170 22990.0369 0.0000 0.0000 44712.8672 -222394.6441 162.6531 -267107.5113 -222042.6599 162.6531 -376.0866 -2327.2103 921491.4634 -376.0866 -2327.2103
ENERGY: 398 19692.8117 20133.3593 5716.9814 176.0456 -336812.3374 23014.0580 0.0000 0.0000 45592.7319 -222486.3496 165.8538 -268079.0815 -222045.7222 165.8538 -1710.2240 -2443.6966 921491.4634 -1710.2240 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 194.821
LDB: Largest compute 230 load 0.527891 is 1.2% of average load 45.682532
LDB: Average compute 0.063976 is 0.1% of average load 45.682532
LDB: TIME 194.822 LOAD: AVG 45.6825 MAX 46.1187 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.2 MB
LDB: TIME 194.823 LOAD: AVG 45.6825 MAX 46.1187 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.2 MB
LDB: TIME 194.823 LOAD: AVG 45.6825 MAX 46.1187 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.2 MB
LDB: ============== END OF LOAD BALANCING =============== 194.824
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.824
Info: Benchmark time: 4 CPUs 0.461127 s/step 5.33711 days/ns 3224.2 MB memory
TIMING: 400 CPU: 188.601, 0.46099/step Wall: 188.601, 0.46099/step, 0.0128053 hours remaining, 3224.203125 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 19835.9107 5715.8942 173.8391 -338107.6281 23109.6372 0.0000 0.0000 44436.8099 -222391.4890 161.6489 -266828.2990 -222049.2226 161.6489 -4939.3794 -2681.7026 921491.4634 -4939.3794 -2681.7026
ENERGY: 403 20784.9694 19778.4826 5715.7218 174.2695 -337239.9778 23077.8396 0.0000 0.0000 45225.5964 -222483.0985 164.5183 -267708.6948 -222046.6854 164.5183 -3613.5978 -2605.7429 921491.4634 -3613.5978 -2605.7429
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ENERGY: 409 20350.1189 19376.4607 5688.4775 191.1593 -336896.6843 23057.9917 0.0000 0.0000 45733.6057 -222498.8705 166.3663 -268232.4762 -222051.6707 166.3663 -2367.4922 -2346.9326 921491.4634 -2367.4922 -2346.9326
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 20138.5247 5699.9334 199.7191 -337872.5311 23125.1112 0.0000 0.0000 45113.2142 -222465.8869 164.1095 -267579.1011 -222055.3453 164.1095 -3850.6268 -2398.9550 921491.4634 -3850.6268 -2398.9550
ENERGY: 414 19987.3857 20381.5505 5705.1135 199.5118 -337122.7791 23094.4553 0.0000 0.0000 45271.6526 -222483.1097 164.6858 -267754.7622 -222052.1623 164.6858 -2501.3242 -2333.9465 921491.4634 -2501.3242 -2333.9465
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ENERGY: 416 19942.3170 20661.9895 5710.0857 195.6954 -336157.5856 23063.1711 0.0000 0.0000 44200.2848 -222384.0421 160.7885 -266584.3268 -222052.9644 160.7885 -282.7616 -2224.6898 921491.4634 -282.7616 -2224.6898
ENERGY: 417 20031.3750 20631.3208 5709.0494 192.4696 -336373.1069 23072.1095 0.0000 0.0000 44338.4617 -222398.3209 161.2911 -266736.7826 -222044.6993 161.2911 -112.4556 -2227.1701 921491.4634 -112.4556 -2227.1701
ENERGY: 418 20154.6649 20457.0908 5705.5847 188.6537 -336970.7861 23098.6722 0.0000 0.0000 44915.1420 -222450.9778 163.3889 -267366.1198 -222046.7092 163.3889 -671.8549 -2269.9923 921491.4634 -671.8549 -2269.9923
ENERGY: 419 20790.7632 20185.5522 5700.4811 184.6055 -337717.8750 23139.8020 0.0000 0.0000 45250.3099 -222466.3613 164.6082 -267716.6711 -222049.5950 164.6082 -1783.9424 -2336.6466 921491.4634 -1783.9424 -2336.6466
TIMING: 420 CPU: 197.792, 0.459561/step Wall: 197.792, 0.459561/step, 0.0102125 hours remaining, 3224.203125 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: 430 22013.9872 20024.3737 5712.1700 168.1897 -338096.9194 23149.4485 0.0000 0.0000 44626.3097 -222402.4406 162.3382 -267028.7502 -222047.3914 162.3382 -2472.2457 -2268.0466 921491.4634 -2472.2457 -2268.0466
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ENERGY: 432 21768.3704 20188.6724 5710.3546 168.1086 -338651.2091 23176.0837 0.0000 0.0000 45177.9907 -222461.6287 164.3451 -267639.6194 -222065.9060 164.3451 -3350.2742 -2296.1499 921491.4634 -3350.2742 -2296.1499
ENERGY: 433 21200.9072 20275.9663 5710.3763 168.4633 -338164.0627 23162.2902 0.0000 0.0000 45192.9281 -222453.1312 164.3995 -267646.0593 -222052.5983 164.3995 -3187.3734 -2272.1278 921491.4634 -3187.3734 -2272.1278
ENERGY: 434 20730.3412 20338.1499 5711.6061 169.3247 -337394.2693 23140.7726 0.0000 0.0000 44883.0996 -222420.9753 163.2724 -267304.0748 -222051.1464 163.2724 -2694.3110 -2227.7887 921491.4634 -2694.3110 -2227.7887
ENERGY: 435 20235.2200 20362.4014 5714.0003 170.8455 -336680.6545 23123.4088 0.0000 0.0000 44675.9839 -222398.7946 162.5190 -267074.7785 -222049.5890 162.5190 -2061.3585 -2179.8953 921491.4634 -2061.3585 -2179.8953
ENERGY: 436 19670.9242 20349.9981 5717.2345 173.0864 -336303.8800 23119.9068 0.0000 0.0000 44847.0984 -222425.6317 163.1414 -267272.7301 -222059.6959 163.1414 -1520.6601 -2145.1619 921491.4634 -1520.6601 -2145.1619
ENERGY: 437 19434.5517 20329.5091 5720.9893 175.9827 -336411.9774 23136.3858 0.0000 0.0000 45159.2689 -222455.2900 164.2770 -267614.5589 -222050.7502 164.2770 -1319.1171 -2134.4850 921491.4634 -1319.1171 -2134.4850
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TIMING: 440 CPU: 206.978, 0.459292/step Wall: 206.978, 0.459292/step, 0.00765487 hours remaining, 3224.203125 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 -338123.1796 23276.2476 0.0000 0.0000 44417.5462 -222405.1076 161.5788 -266822.6538 -222059.4770 161.5788 -2408.4612 -2197.9672 921491.4634 -2408.4612 -2197.9672
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ENERGY: 442 21853.6117 19664.5349 5729.4854 192.9411 -338090.1523 23327.1559 0.0000 0.0000 44880.6322 -222441.7910 163.2634 -267322.4232 -222049.7752 163.2634 -2710.5575 -2229.0696 921491.4634 -2710.5575 -2229.0696
ENERGY: 443 21064.3315 19487.0722 5727.6164 194.9329 -337369.3140 23320.0149 0.0000 0.0000 45118.1108 -222457.2351 164.1273 -267575.3459 -222048.5993 164.1273 -2448.1648 -2220.3531 921491.4634 -2448.1648 -2220.3531
ENERGY: 444 20449.3363 19357.2689 5725.4095 195.8735 -336464.1919 23301.5268 0.0000 0.0000 44987.7178 -222447.0592 163.6530 -267434.7770 -222057.9801 163.6530 -2090.2102 -2206.4402 921491.4634 -2090.2102 -2206.4402
ENERGY: 445 20125.5608 19307.2516 5723.6513 195.6942 -335759.3911 23283.8130 0.0000 0.0000 44708.7157 -222414.7046 162.6380 -267123.4202 -222046.5432 162.6380 -1846.9630 -2201.6928 921491.4634 -1846.9630 -2201.6928
ENERGY: 446 19947.6805 19324.9003 5722.5430 194.3235 -335494.5706 23276.0443 0.0000 0.0000 44620.2947 -222408.7843 162.3164 -267029.0790 -222046.1624 162.3164 -1800.7522 -2216.7296 921491.4634 -1800.7522 -2216.7296
ENERGY: 447 19914.2850 19416.0206 5722.2107 191.8641 -335769.4398 23282.7450 0.0000 0.0000 44816.5089 -222425.8054 163.0301 -267242.3143 -222046.8347 163.0301 -1993.3116 -2253.0606 921491.4634 -1993.3116 -2253.0606
ENERGY: 448 20187.5923 19583.6796 5722.5765 188.5554 -336503.1796 23303.8897 0.0000 0.0000 45065.6675 -222451.2186 163.9365 -267516.8861 -222059.3481 163.9365 -2372.1881 -2303.7900 921491.4634 -2372.1881 -2303.7900
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4853 20108.1297 5724.4776 181.0897 -338419.3245 23364.6237 0.0000 0.0000 44854.3097 -222432.2087 163.1677 -267286.5184 -222048.7861 163.1677 -3116.6758 -2394.3898 921491.4634 -3116.6758 -2394.3898
ENERGY: 451 22355.5902 20357.7253 5724.7144 177.6517 -338952.0904 23381.8001 0.0000 0.0000 44542.6986 -222411.9101 162.0341 -266954.6087 -222048.8247 162.0341 -3074.2534 -2405.7800 921491.4634 -3074.2534 -2405.7800
ENERGY: 452 22246.2014 20536.0133 5723.8953 174.8859 -338927.1535 23378.0938 0.0000 0.0000 44452.9194 -222415.1442 161.7075 -266868.0637 -222059.6373 161.7075 -2659.9607 -2384.7570 921491.4634 -2659.9607 -2384.7570
ENERGY: 453 21399.8726 20641.1311 5722.2879 173.1350 -338392.7931 23354.5902 0.0000 0.0000 44683.7031 -222418.0733 162.5470 -267101.7764 -222043.5374 162.5470 -2048.3341 -2342.4671 921491.4634 -2048.3341 -2342.4671
ENERGY: 454 20248.3380 20654.1374 5720.2218 172.3637 -337567.1413 23320.6896 0.0000 0.0000 45008.1463 -222443.2444 163.7273 -267451.3907 -222041.8394 163.7273 -1453.4582 -2293.1453 921491.4634 -1453.4582 -2293.1453
ENERGY: 455 19486.7906 20584.7121 5718.4844 172.5169 -336790.6451 23290.4019 0.0000 0.0000 45086.5786 -222451.1606 164.0126 -267537.7392 -222040.8573 164.0126 -1151.8828 -2255.8574 921491.4634 -1151.8828 -2255.8574
ENERGY: 456 19493.3721 20440.6802 5717.7556 173.4248 -336350.1074 23274.9627 0.0000 0.0000 44811.4723 -222438.4397 163.0118 -267249.9120 -222055.3487 163.0118 -1305.5007 -2245.5825 921491.4634 -1305.5007 -2245.5825
ENERGY: 457 20047.4929 20251.9437 5718.5580 174.9241 -336395.8164 23277.8270 0.0000 0.0000 44521.8702 -222403.2004 161.9583 -266925.0706 -222049.4134 161.9583 -1906.4168 -2263.5014 921491.4634 -1906.4168 -2263.5014
ENERGY: 458 20585.8435 20019.2726 5720.7061 176.6081 -336835.0959 23294.7169 0.0000 0.0000 44632.7887 -222405.1601 162.3618 -267037.9488 -222051.2824 162.3618 -2684.6990 -2301.0429 921491.4634 -2684.6990 -2301.0429
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TIMING: 460 CPU: 216.16, 0.459094/step Wall: 216.16, 0.459094/step, 0.00510104 hours remaining, 3224.203125 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 21262.6138 19597.9067 5728.0972 179.4910 -338014.3763 23341.7997 0.0000 0.0000 45423.8566 -222480.6113 165.2395 -267904.4679 -222064.6832 165.2395 -3669.8201 -2365.2412 921491.4634 -3669.8201 -2365.2412
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ENERGY: 462 22264.2255 19487.8113 5736.4823 180.9531 -337988.7166 23351.1082 0.0000 0.0000 44559.9292 -222408.2071 162.0968 -266968.1362 -222056.7210 162.0968 -2954.8199 -2323.4251 921491.4634 -2954.8199 -2323.4251
ENERGY: 463 21821.1791 19513.9018 5738.9361 181.1160 -337284.1024 23326.9473 0.0000 0.0000 44313.4572 -222388.5648 161.2002 -266702.0221 -222054.6238 161.2002 -2012.4423 -2264.0778 921491.4634 -2012.4423 -2264.0778
ENERGY: 464 20535.2459 19559.9274 5739.2518 181.0096 -336389.3838 23291.1937 0.0000 0.0000 44654.0269 -222428.7283 162.4391 -267082.7553 -222058.5728 162.4391 -1050.9228 -2205.5269 921491.4634 -1050.9228 -2205.5269
ENERGY: 465 19322.7826 19631.8855 5737.2899 180.7155 -335701.1532 23259.7387 0.0000 0.0000 45094.5691 -222474.1718 164.0416 -267568.7409 -222052.9387 164.0416 -512.3348 -2174.4009 921491.4634 -512.3348 -2174.4009
ENERGY: 466 19088.4511 19708.3581 5733.2107 180.2808 -335443.7723 23245.0600 0.0000 0.0000 45020.7911 -222467.6205 163.7733 -267488.4116 -222052.9784 163.7733 -630.3316 -2182.6711 921491.4634 -630.3316 -2182.6711
ENERGY: 467 19841.8071 19783.1741 5727.6704 179.7757 -335721.0948 23249.4526 0.0000 0.0000 44523.6667 -222415.5481 161.9649 -266939.2149 -222054.3494 161.9649 -1393.6032 -2232.5924 921491.4634 -1393.6032 -2232.5924
ENERGY: 468 20761.8483 19845.4940 5721.5090 179.2779 -336451.5664 23265.8122 0.0000 0.0000 44291.6587 -222385.9664 161.1209 -266677.6251 -222056.3592 161.1209 -2508.6717 -2314.1341 921491.4634 -2508.6717 -2314.1341
ENERGY: 469 21236.3017 19910.2019 5715.6824 178.8504 -337458.3199 23284.3958 0.0000 0.0000 44720.3203 -222412.5674 162.6802 -267132.8877 -222046.0751 162.6802 -3596.7408 -2405.7974 921491.4634 -3596.7408 -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 19972.8932 5710.9491 178.5947 -338383.2503 23297.0669 0.0000 0.0000 45346.4575 -222466.1158 164.9579 -267812.5733 -222047.6090 164.9579 -4259.6996 -2477.6832 921491.4634 -4259.6996 -2477.6832
ENERGY: 471 21732.8677 20054.6832 5707.9626 178.5890 -338913.2446 23297.5081 0.0000 0.0000 45471.3366 -222470.2972 165.4122 -267941.6338 -222047.5360 165.4122 -4290.5683 -2504.3176 921491.4634 -4290.5683 -2504.3176
ENERGY: 472 22081.2360 20161.5548 5707.0091 178.9047 -338870.6758 23279.4488 0.0000 0.0000 45028.5295 -222433.9928 163.8014 -267462.5223 -222059.5057 163.8014 -3659.7360 -2479.9184 921491.4634 -3659.7360 -2479.9184
ENERGY: 473 21866.1362 20289.3423 5707.9843 179.6165 -338307.7181 23240.7360 0.0000 0.0000 44634.5171 -222389.3858 162.3681 -267023.9029 -222043.8539 162.3681 -2556.3615 -2408.1658 921491.4634 -2556.3615 -2408.1658
ENERGY: 474 20842.9703 20372.0983 5710.2161 180.7466 -337438.4543 23189.2345 0.0000 0.0000 44733.2304 -222409.9581 162.7272 -267143.1885 -222041.2619 162.7272 -1295.5525 -2316.2728 921491.4634 -1295.5525 -2316.2728
ENERGY: 475 19674.2080 20371.7671 5712.9876 182.2512 -336604.2305 23142.3815 0.0000 0.0000 45070.2136 -222450.4215 163.9530 -267520.6351 -222039.4529 163.9530 -344.6450 -2232.2126 921491.4634 -344.6450 -2232.2126
ENERGY: 476 19235.7862 20282.0273 5715.7683 184.0125 -336100.0900 23115.8464 0.0000 0.0000 45106.0630 -222460.5863 164.0835 -267566.6493 -222053.6139 164.0835 -92.4053 -2183.0655 921491.4634 -92.4053 -2183.0655
ENERGY: 477 19704.7252 20145.9813 5718.4976 185.9230 -336101.8789 23114.2938 0.0000 0.0000 44812.3205 -222420.1376 163.0149 -267232.4580 -222044.8412 163.0149 -667.4949 -2171.8230 921491.4634 -667.4949 -2171.8230
ENERGY: 478 20493.4779 19974.7639 5721.0254 187.7262 -336537.4038 23131.2458 0.0000 0.0000 44627.0329 -222402.1316 162.3409 -267029.1645 -222047.4108 162.3409 -1807.1607 -2198.7958 921491.4634 -1807.1607 -2198.7958
ENERGY: 479 21125.3061 19793.3958 5723.3295 189.2099 -337215.5841 23156.6770 0.0000 0.0000 44802.1575 -222425.5084 162.9779 -267227.6658 -222050.5461 162.9779 -3089.8518 -2246.7920 921491.4634 -3089.8518 -2246.7920
TIMING: 480 CPU: 225.339, 0.458943/step Wall: 225.339, 0.458943/step, 0.00254968 hours remaining, 3224.203125 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 19623.1967 5725.3111 190.1900 -337854.6788 23181.5117 0.0000 0.0000 45051.6813 -222458.7552 163.8856 -267510.4364 -222064.6211 163.8856 -4077.7326 -2291.4893 921491.4634 -4077.7326 -2291.4893
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ENERGY: 482 22186.3468 19466.6796 5728.4964 190.3598 -338044.5422 23192.7474 0.0000 0.0000 44865.8522 -222414.0602 163.2096 -267279.9124 -222051.4114 163.2096 -4059.3098 -2278.0616 921491.4634 -4059.3098 -2278.0616
ENERGY: 483 21553.1413 19511.5746 5729.5660 189.3226 -337426.2190 23165.8740 0.0000 0.0000 44861.8973 -222414.8432 163.1953 -267276.7404 -222048.7674 163.1953 -2964.1723 -2216.4117 921491.4634 -2964.1723 -2216.4117
ENERGY: 484 20460.8926 19631.1940 5730.2465 187.5455 -336590.8890 23126.1351 0.0000 0.0000 45003.6036 -222451.2719 163.7107 -267454.8755 -222059.8744 163.7107 -1565.2428 -2143.1853 921491.4634 -1565.2428 -2143.1853
ENERGY: 485 19688.7721 19800.2992 5730.5256 185.2458 -335902.5873 23092.8470 0.0000 0.0000 44955.5730 -222449.3247 163.5360 -267404.8977 -222045.9607 163.5360 -422.1574 -2086.8739 921491.4634 -422.1574 -2086.8739
ENERGY: 486 19602.5429 19954.8177 5729.7197 182.4662 -335612.3577 23080.3808 0.0000 0.0000 44645.9121 -222416.5183 162.4096 -267062.4304 -222044.6762 162.4096 87.3175 -2070.0986 921491.4634 87.3175 -2070.0986
ENERGY: 487 19881.0928 20072.0214 5727.4347 179.4360 -335846.4492 23091.0544 0.0000 0.0000 44503.3498 -222392.0601 161.8910 -266895.4098 -222045.2408 161.8910 -192.2352 -2106.8844 921491.4634 -192.2352 -2106.8844
ENERGY: 488 20125.2102 20156.1363 5723.5441 176.4338 -336552.5462 23118.8617 0.0000 0.0000 44827.0561 -222425.3040 163.0685 -267252.3601 -222057.1938 163.0685 -1145.7536 -2194.6681 921491.4634 -1145.7536 -2194.6681
ENERGY: 489 20526.8875 20236.4611 5718.5748 173.8639 -337540.4665 23156.7311 0.0000 0.0000 45266.1009 -222461.8472 164.6656 -267727.9481 -222045.6085 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 21410.7492 20292.9024 5712.8912 171.8438 -338458.1371 23196.4878 0.0000 0.0000 45213.5634 -222459.6993 164.4745 -267673.2627 -222048.2207 164.4745 -3823.4039 -2437.4156 921491.4634 -3823.4039 -2437.4156
ENERGY: 491 22430.4641 20312.1362 5707.3795 170.5404 -338984.5802 23226.0938 0.0000 0.0000 44733.0095 -222404.9568 162.7264 -267137.9663 -222049.4637 162.7264 -4629.6934 -2524.6216 921491.4634 -4629.6934 -2524.6216
ENERGY: 492 22612.9547 20289.6812 5702.9944 170.0208 -338937.5824 23232.7206 0.0000 0.0000 44542.1957 -222387.0150 162.0323 -266929.2107 -222060.3859 162.0323 -4606.8524 -2557.4731 921491.4634 -4606.8524 -2557.4731
ENERGY: 493 21558.2187 20260.7375 5700.7779 170.3201 -338358.0641 23214.0538 0.0000 0.0000 45033.8236 -222420.1325 163.8207 -267453.9561 -222046.5900 163.8207 -3796.3820 -2540.0998 921491.4634 -3796.3820 -2540.0998
ENERGY: 494 20068.3366 20225.0262 5700.9805 171.2193 -337454.3842 23183.0797 0.0000 0.0000 45622.2481 -222483.4938 165.9612 -268105.7419 -222044.0867 165.9612 -2500.8995 -2482.1070 921491.4634 -2500.8995 -2482.1070
ENERGY: 495 19383.2464 20186.8303 5703.5926 172.5416 -336566.9894 23159.4626 0.0000 0.0000 45484.1236 -222477.1924 165.4587 -267961.3160 -222041.5562 165.4587 -1249.6841 -2407.3058 921491.4634 -1249.6841 -2407.3058
ENERGY: 496 19722.4836 20130.6474 5708.0350 174.0933 -335998.7167 23154.2637 0.0000 0.0000 44699.5275 -222409.6662 162.6046 -267109.1936 -222049.0672 162.6046 -478.9002 -2343.4753 921491.4634 -478.9002 -2343.4753
ENERGY: 497 20212.6670 20059.9178 5713.4613 175.7242 -335952.5054 23166.3547 0.0000 0.0000 44261.0292 -222363.3512 161.0095 -266624.3804 -222042.7502 161.0095 -421.0236 -2316.7930 921491.4634 -421.0236 -2316.7930
ENERGY: 498 20182.0167 19957.1217 5718.5596 177.2604 -336366.4944 23189.3586 0.0000 0.0000 44728.2539 -222413.9235 162.7091 -267142.1773 -222044.5221 162.7091 -993.4681 -2331.6475 921491.4634 -993.4681 -2331.6475
ENERGY: 499 20158.0680 19847.7310 5722.4089 178.6361 -337058.4835 23219.2405 0.0000 0.0000 45439.2649 -222493.1341 165.2956 -267932.3989 -222047.2064 165.2956 -2020.8688 -2376.3392 921491.4634 -2020.8688 -2376.3392
Info: Benchmark time: 4 CPUs 0.45845 s/step 5.30613 days/ns 3224.2 MB memory
TIMING: 500 CPU: 234.446, 0.455368/step Wall: 234.446, 0.455368/step, 0 hours remaining, 3224.203125 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 19756.6585 5724.4523 179.8271 -337741.4198 23251.1009 0.0000 0.0000 45359.0783 -222495.4089 165.0039 -267854.4872 -222061.0907 165.0039 -3197.5166 -2425.4143 921491.4634 -3197.5166 -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, 3229.816 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.816 MB of memory in use
====================================================
WallClock: 241.557907 CPUTime: 241.557907 Memory: 3229.816406 MB
[Partition 0][Node 0] End of program
Application 1111352 resources: utime ~949s, stime ~19s, Rss ~127036, inblocks ~66552, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.557907
CPU=241.557907
MEM=3229.816406
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 18 22:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 18 22:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 18 22:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 18 22:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189477 Dec 18 22:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 18 22:46 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 18 22:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 18 22:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 18 22:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 18 22:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 18 22:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 18 22:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 18 22:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 18 22:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 18 22:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 18 22:21 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/jenkins13438759515949006656.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}
