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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 ============== 54.5238
LDB: Largest compute 200 load 0.429849 is 1.2% of average load 36.774993
LDB: Average compute 0.051515 is 0.1% of average load 36.774993
LDB: Partitioning computes with target load 3.677499
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055827
LDB: ============== END OF LOAD BALANCING =============== 54.5259
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.5268
Info: Initial time: 4 CPUs 0.472989 s/step 5.47441 days/ns 3221.5 MB memory
TIMING: 100 CPU: 48.2735, 0.472036/step Wall: 48.2735, 0.472036/step, 0.0524484 hours remaining, 3221.496094 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 ============== 63.9484
LDB: ============== END OF LOAD BALANCING =============== 63.9484
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9489
TIMING: 120 CPU: 57.6931, 0.47098/step Wall: 57.6931, 0.47098/step, 0.0497146 hours remaining, 3221.628906 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: 67.1109, 0.470891/step Wall: 67.1109, 0.470891/step, 0.0470891 hours remaining, 3221.945312 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: 76.5142, 0.470167/step Wall: 76.5142, 0.470167/step, 0.0444046 hours remaining, 3222.085938 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 21917.7898 18733.9558 5737.6245 154.5770 -332975.2974 21015.2133 0.0000 0.0000 43101.1545 -222314.9824 156.7902 -265416.1369 -222126.1321 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
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TIMING: 180 CPU: 85.9089, 0.469733/step Wall: 85.9089, 0.469733/step, 0.0417541 hours remaining, 3222.085938 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 -332240.0940 21043.7459 0.0000 0.0000 44391.5887 -222435.3692 161.4844 -266826.9580 -222129.2889 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2967 19471.4304 5678.7398 184.6336 -333156.1129 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 21224.0059 18800.3005 5711.3574 186.3640 -333385.4996 21161.1533 0.0000 0.0000 43911.2863 -222391.0322 159.7372 -266302.3185 -222090.4393 159.7372 -4381.6807 -2646.7679 921491.4634 -4381.6807 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.556
LDB: Largest compute 200 load 0.425098 is 1.2% of average load 36.597426
LDB: Average compute 0.051260 is 0.1% of average load 36.597426
LDB: TIME 101.558 LOAD: AVG 36.5974 MAX 37.6075 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.5 MB
LDB: TIME 101.561 LOAD: AVG 36.5974 MAX 37.5226 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.5 MB
LDB: ============== END OF LOAD BALANCING =============== 101.562
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.566
Info: Initial time: 4 CPUs 0.470242 s/step 5.44261 days/ns 3223.43 MB memory
TIMING: 200 CPU: 95.3075, 0.469929/step Wall: 95.3075, 0.469929/step, 0.0391608 hours remaining, 3223.433594 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 203 20743.8946 19130.0390 5729.2400 192.0764 -333501.9373 21215.8254 0.0000 0.0000 44059.6986 -222431.1634 160.2771 -266490.8620 -222093.6426 160.2771 -1046.8259 -2512.4435 921491.4634 -1046.8259 -2512.4435
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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 21385.1733 20194.2569 5705.3139 178.4614 -336615.7770 21385.1096 0.0000 0.0000 45251.4334 -222516.0284 164.6123 -267767.4618 -222108.2018 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -2896.2627
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ENERGY: 212 23739.2710 19730.8222 5710.0295 176.0352 -336013.6227 21412.5983 0.0000 0.0000 42995.1638 -222249.7026 156.4046 -265244.8664 -222104.2318 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2161 19524.5249 5720.1722 175.9508 -334874.6444 21380.5552 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2253 -222097.3834 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
ENERGY: 214 17315.5529 19421.7448 5733.3059 176.6827 -333645.3937 21358.4486 0.0000 0.0000 46958.4703 -222681.1885 170.8220 -269639.6587 -222093.7407 170.8220 -143.6686 -2626.0578 921491.4634 -143.6686 -2626.0578
ENERGY: 215 18210.5056 19441.9743 5746.5772 178.1492 -332787.3323 21379.5597 0.0000 0.0000 45302.6746 -222527.8916 164.7987 -267830.5662 -222091.0447 164.7987 784.0014 -2554.0367 921491.4634 784.0014 -2554.0367
ENERGY: 216 20973.4717 19522.5062 5756.9571 180.1770 -332560.1062 21436.4836 0.0000 0.0000 42442.1787 -222248.3319 154.3930 -264690.5106 -222073.6157 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3866 19581.4820 5762.2416 182.5517 -333010.6758 21497.2706 0.0000 0.0000 41983.6750 -222225.0683 152.7251 -264208.7433 -222064.4465 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9155 19540.0891 5761.2415 184.9927 -333856.1147 21546.6561 0.0000 0.0000 44178.6836 -222478.5361 160.7099 -266657.2197 -222068.8156 160.7099 -2628.0651 -2703.9746 921491.4634 -2628.0651 -2703.9746
ENERGY: 219 19429.8638 19413.3931 5754.3577 187.2447 -334778.0709 21596.8809 0.0000 0.0000 45751.9297 -222644.4008 166.4329 -268396.3306 -222073.1721 166.4329 -4457.7331 -2810.5237 921491.4634 -4457.7331 -2810.5237
TIMING: 220 CPU: 104.714, 0.470338/step Wall: 104.714, 0.470338/step, 0.0365818 hours remaining, 3223.433594 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: 114.113, 0.469941/step Wall: 114.113, 0.469941/step, 0.0339402 hours remaining, 3223.433594 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: 242 22110.7716 20111.8208 5758.5348 169.0441 -335904.8197 21831.0568 0.0000 0.0000 43526.8720 -222396.7196 158.3388 -265923.5916 -222063.5737 158.3388 -4623.1690 -2633.0913 921491.4634 -4623.1690 -2633.0913
ENERGY: 243 19462.3621 19969.6445 5749.3614 168.8705 -335233.7070 21770.4748 0.0000 0.0000 45537.0690 -222575.9246 165.6513 -268112.9937 -222061.6675 165.6513 -3760.4506 -2614.6992 921491.4634 -3760.4506 -2614.6992
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ENERGY: 246 20878.5482 19853.7026 5716.8932 174.1558 -334213.1205 21705.0851 0.0000 0.0000 43600.4181 -222284.3176 158.6063 -265884.7357 -222067.4294 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5286 19979.6441 5712.7400 177.5412 -334802.1841 21719.8455 0.0000 0.0000 44912.1912 -222431.6935 163.3782 -267343.8847 -222068.1392 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4923 20164.4297 5713.8450 181.3144 -335623.1353 21746.4311 0.0000 0.0000 46185.9363 -222595.6865 168.0117 -268781.6228 -222090.3127 168.0117 -1359.1245 -2608.3066 921491.4634 -1359.1245 -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 21994.9042 20013.1599 5733.2541 193.8023 -336093.2678 21826.9296 0.0000 0.0000 43905.3721 -222425.8456 159.7157 -266331.2177 -222091.3305 159.7157 -3843.4682 -2758.0339 921491.4634 -3843.4682 -2758.0339
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ENERGY: 254 19073.0883 19348.2296 5720.5008 195.9622 -333839.8800 21752.6525 0.0000 0.0000 45220.9195 -222528.5271 164.5013 -267749.4466 -222080.4686 164.5013 -2707.1339 -2696.1701 921491.4634 -2707.1339 -2696.1701
ENERGY: 255 20324.2313 19109.4102 5707.6062 196.0620 -333099.9234 21746.1516 0.0000 0.0000 43667.4211 -222349.0410 158.8501 -266016.4621 -222078.3975 158.8501 -2282.5426 -2662.7814 921491.4634 -2282.5426 -2662.7814
ENERGY: 256 20899.4410 18950.9578 5693.4518 195.6570 -332975.5974 21757.6848 0.0000 0.0000 43181.1611 -222297.2438 157.0812 -265478.4050 -222071.2740 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5653 18878.1873 5681.1759 194.7976 -333481.0040 21780.2420 0.0000 0.0000 44488.5468 -222428.4891 161.8371 -266917.0360 -222060.1684 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
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TIMING: 260 CPU: 123.499, 0.469285/step Wall: 123.499, 0.469285/step, 0.0312857 hours remaining, 3223.738281 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 19781.1229 20140.5623 5703.8103 187.9445 -335614.9717 21924.4741 0.0000 0.0000 45349.7771 -222527.2805 164.9700 -267877.0577 -222051.1549 164.9700 -2647.8116 -2773.3903 921491.4634 -2647.8116 -2773.3903
ENERGY: 264 19385.2261 20436.4306 5710.6950 187.5052 -334855.9515 21907.7773 0.0000 0.0000 44751.4784 -222476.8389 162.7936 -267228.3172 -222069.1983 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
ENERGY: 265 19946.8416 20681.9927 5713.6241 187.4392 -334395.6636 21906.0165 0.0000 0.0000 43607.6373 -222352.1121 158.6326 -265959.7494 -222054.3372 158.6326 -2038.0574 -2683.6034 921491.4634 -2038.0574 -2683.6034
ENERGY: 266 20048.7900 20788.8702 5712.1327 187.6137 -334399.4581 21914.4806 0.0000 0.0000 43399.3796 -222348.1912 157.8750 -265747.5709 -222054.3635 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0905 20691.2679 5707.0583 187.8501 -334831.4858 21930.8376 0.0000 0.0000 44220.2168 -222446.1646 160.8610 -266666.3815 -222055.6585 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9159 20375.7517 5700.1930 187.9286 -335513.7452 21959.1259 0.0000 0.0000 44823.5377 -222504.2925 163.0557 -267327.8302 -222075.9876 163.0557 -2903.2124 -2658.6180 921491.4634 -2903.2124 -2658.6180
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1932 19450.9168 5690.3173 187.1618 -336650.6776 22028.8072 0.0000 0.0000 44308.0075 -222365.2739 161.1804 -266673.2814 -222067.0435 161.1804 -3583.3632 -2617.7582 921491.4634 -3583.3632 -2617.7582
ENERGY: 271 22345.5822 19078.8065 5690.0209 186.1610 -336571.7894 22035.2502 0.0000 0.0000 44829.4472 -222406.5212 163.0772 -267235.9685 -222066.8387 163.0772 -3261.2173 -2569.2621 921491.4634 -3261.2173 -2569.2621
ENERGY: 272 21021.5584 18896.0661 5692.8269 184.9335 -335921.4616 22015.0581 0.0000 0.0000 45607.7076 -222503.3110 165.9083 -268111.0186 -222081.1572 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7014 21985.5297 0.0000 0.0000 45502.7161 -222499.9695 165.5264 -268002.6856 -222069.0459 165.5264 -1837.1975 -2434.6759 921491.4634 -1837.1975 -2434.6759
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ENERGY: 276 19401.8502 19594.7507 5701.2547 182.4904 -333292.1282 21971.0411 0.0000 0.0000 44028.5271 -222412.2140 160.1637 -266440.7411 -222072.9395 160.1637 -1580.1301 -2417.6040 921491.4634 -1580.1301 -2417.6040
ENERGY: 277 19149.2971 19724.7159 5695.5210 182.9396 -333864.3453 21997.2388 0.0000 0.0000 44632.8112 -222481.8218 162.3619 -267114.6329 -222061.0988 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4575 19713.7759 5686.9122 183.6585 -334821.1003 22041.3360 0.0000 0.0000 44532.2540 -222463.7061 161.9961 -266995.9601 -222063.4131 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3648 19593.9430 5677.5176 184.5187 -335888.5800 22096.4200 0.0000 0.0000 43975.0879 -222376.7279 159.9693 -266351.8158 -222065.2023 159.9693 -4044.3212 -2682.8389 921491.4634 -4044.3212 -2682.8389
TIMING: 280 CPU: 132.881, 0.469106/step Wall: 132.881, 0.469106/step, 0.0286676 hours remaining, 3223.738281 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 22859.3229 19458.4366 5670.0026 185.3899 -336752.6633 22145.1355 0.0000 0.0000 44066.7337 -222367.6419 160.3027 -266434.3756 -222073.4247 160.3027 -4286.3892 -2748.0545 921491.4634 -4286.3892 -2748.0545
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ENERGY: 282 20943.7898 19615.5380 5669.9796 186.8360 -336942.5036 22176.7656 0.0000 0.0000 45823.3369 -222526.2578 166.6927 -268349.5947 -222063.3316 166.6927 -2992.3270 -2779.3667 921491.4634 -2992.3270 -2779.3667
ENERGY: 283 20432.1061 19966.6616 5678.8137 187.1634 -336251.9203 22171.0650 0.0000 0.0000 45328.8518 -222487.2587 164.8939 -267816.1106 -222060.8460 164.8939 -2008.7736 -2748.2306 921491.4634 -2008.7736 -2748.2306
ENERGY: 284 20506.4000 20401.8823 5692.0830 187.1346 -335412.6302 22166.2911 0.0000 0.0000 44071.4478 -222387.3914 160.3198 -266458.8392 -222061.5540 160.3198 -1267.2791 -2712.3901 921491.4634 -1267.2791 -2712.3901
ENERGY: 285 20203.3288 20789.9630 5707.3565 186.7145 -334827.1968 22167.0167 0.0000 0.0000 43418.2628 -222354.5545 157.9437 -265772.8173 -222053.5966 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6309 20966.5623 5721.5031 185.8230 -334658.1150 22176.6864 0.0000 0.0000 43785.6880 -222425.2212 159.2803 -266210.9092 -222054.0582 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1189 20856.7823 5731.9346 184.4714 -334918.1481 22200.2911 0.0000 0.0000 44282.9437 -222485.6059 161.0892 -266768.5496 -222055.7253 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2087 20475.2851 5736.9557 182.7335 -335468.3148 22237.9039 0.0000 0.0000 44116.9904 -222455.2375 160.4855 -266572.2279 -222066.9053 160.4855 -3310.5878 -2790.1553 921491.4634 -3310.5878 -2790.1553
ENERGY: 289 21886.4833 19928.6978 5736.1905 180.7560 -336126.9122 22279.0691 0.0000 0.0000 43733.4512 -222382.2641 159.0903 -266115.7153 -222062.2724 159.0903 -4368.9814 -2809.8749 921491.4634 -4368.9814 -2809.8749
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 290 22615.9844 19325.5266 5730.3279 178.6973 -336571.4573 22308.2176 0.0000 0.0000 44027.4234 -222385.2802 160.1597 -266412.7036 -222063.4683 160.1597 -4815.3286 -2796.0390 921491.4634 -4815.3286 -2796.0390
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LDB: ============= START OF LOAD BALANCING ============== 148.533
LDB: Largest compute 200 load 0.518725 is 1.1% of average load 45.664158
LDB: Average compute 0.063951 is 0.1% of average load 45.664158
LDB: TIME 148.535 LOAD: AVG 45.6642 MAX 46.9672 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.94 MB
LDB: TIME 148.535 LOAD: AVG 45.6642 MAX 46.9672 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3223.94 MB
LDB: TIME 148.552 LOAD: AVG 45.6642 MAX 46.1779 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3223.94 MB
LDB: ============== END OF LOAD BALANCING =============== 148.553
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.554
Info: Initial time: 4 CPUs 0.469367 s/step 5.43249 days/ns 3223.94 MB memory
TIMING: 300 CPU: 142.266, 0.469238/step Wall: 142.266, 0.469238/step, 0.0260688 hours remaining, 3223.937500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 320 CPU: 151.48, 0.46074/step Wall: 151.48, 0.46074/step, 0.023037 hours remaining, 3223.937500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 327 20020.7819 19506.2793 5669.7116 187.2139 -334851.2529 22513.0148 0.0000 0.0000 44550.7423 -222403.5090 162.0634 -266954.2513 -222059.8761 162.0634 -657.4989 -2506.5012 921491.4634 -657.4989 -2506.5012
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 336 19127.9133 19639.0994 5698.6022 180.2744 -334271.7859 22519.7001 0.0000 0.0000 44649.6650 -222456.5315 162.4232 -267106.1965 -222055.6201 162.4232 -1093.5004 -2488.8701 921491.4634 -1093.5004 -2488.8701
ENERGY: 337 20420.1632 19649.7063 5693.3319 179.7347 -334824.3562 22536.4226 0.0000 0.0000 43995.5999 -222349.3976 160.0439 -266344.9975 -222040.1024 160.0439 -1064.7182 -2460.5858 921491.4634 -1064.7182 -2460.5858
ENERGY: 338 21007.5745 19722.4644 5687.5590 179.5437 -335808.8624 22564.1947 0.0000 0.0000 44285.9173 -222361.6088 161.1000 -266647.5261 -222041.5957 161.1000 -1500.9497 -2462.8575 921491.4634 -1500.9497 -2462.8575
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TIMING: 340 CPU: 160.684, 0.460167/step Wall: 160.684, 0.460167/step, 0.0204519 hours remaining, 3223.937500 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: 344 19898.5080 20447.2068 5699.9573 182.0106 -336095.2682 22596.5931 0.0000 0.0000 44790.9365 -222480.0559 162.9371 -267270.9924 -222071.3578 162.9371 -2338.1160 -2329.7491 921491.4634 -2338.1160 -2329.7491
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ENERGY: 346 19350.9888 19892.9542 5701.0894 182.7368 -334783.0725 22565.1339 0.0000 0.0000 44652.5021 -222437.6673 162.4335 -267090.1694 -222056.8256 162.4335 -1239.3021 -2211.7780 921491.4634 -1239.3021 -2211.7780
ENERGY: 347 20669.8294 19583.9409 5696.3950 182.8447 -334881.4388 22581.1984 0.0000 0.0000 43831.1329 -222336.0976 159.4456 -266167.2305 -222056.9474 159.4456 -1358.8144 -2194.9211 921491.4634 -1358.8144 -2194.9211
ENERGY: 348 21062.2470 19315.9902 5689.3479 182.7918 -335425.6671 22604.2203 0.0000 0.0000 44195.9878 -222375.0821 160.7729 -266571.0699 -222064.0949 160.7729 -1766.2766 -2218.9157 921491.4634 -1766.2766 -2218.9157
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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: 351 22235.3180 19085.8713 5672.3994 182.3761 -337072.3451 22693.2959 0.0000 0.0000 44770.4139 -222432.6706 162.8625 -267203.0844 -222058.6357 162.8625 -3254.0186 -2369.0508 921491.4634 -3254.0186 -2369.0508
ENERGY: 352 22912.9249 19180.1281 5672.7330 182.2243 -336794.7861 22708.6921 0.0000 0.0000 43795.3994 -222342.6842 159.3156 -266138.0836 -222059.3898 159.3156 -3190.0137 -2394.0290 921491.4634 -3190.0137 -2394.0290
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ENERGY: 354 19814.0381 19544.5092 5682.7361 181.9868 -335375.1828 22676.8667 0.0000 0.0000 44983.0759 -222491.9699 163.6361 -267475.0458 -222046.2243 163.6361 -2040.9899 -2415.4742 921491.4634 -2040.9899 -2415.4742
ENERGY: 355 18879.8417 19773.7509 5689.2466 181.9196 -334823.9961 22664.4421 0.0000 0.0000 45120.2680 -222514.5271 164.1351 -267634.7951 -222044.8382 164.1351 -1600.3169 -2424.6827 921491.4634 -1600.3169 -2424.6827
ENERGY: 356 19622.4370 20015.8111 5694.4280 181.9402 -334758.7695 22674.4080 0.0000 0.0000 44153.0887 -222416.6565 160.6168 -266569.7452 -222053.0961 160.6168 -1622.0263 -2446.8265 921491.4634 -1622.0263 -2446.8265
ENERGY: 357 20687.2711 20255.1057 5697.1708 182.0215 -335288.0649 22700.2949 0.0000 0.0000 43438.0178 -222328.1830 158.0156 -265766.2009 -222042.2330 158.0156 -2061.3606 -2486.6662 921491.4634 -2061.3606 -2486.6662
ENERGY: 358 20785.4066 20424.8432 5696.9833 182.1295 -336225.9482 22730.2419 0.0000 0.0000 44019.5823 -222386.7615 160.1311 -266406.3438 -222043.9945 160.1311 -2636.8580 -2541.3592 921491.4634 -2636.8580 -2541.3592
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TIMING: 360 CPU: 169.886, 0.460089/step Wall: 169.886, 0.460089/step, 0.0178924 hours remaining, 3223.937500 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: 364 19323.8975 19612.6013 5699.8913 181.0103 -336175.1997 22790.5194 0.0000 0.0000 46034.3487 -222532.9312 167.4603 -268567.2799 -222068.5917 167.4603 -1420.0424 -2476.3756 921491.4634 -1420.0424 -2476.3756
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ENERGY: 368 20561.5937 19748.2118 5739.6691 179.8275 -335728.0871 22808.6653 0.0000 0.0000 44272.8404 -222417.2793 161.0524 -266690.1197 -222068.2912 161.0524 -2928.4885 -2487.3069 921491.4634 -2928.4885 -2487.3069
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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 20646.4608 20251.1594 5706.5521 182.3249 -335763.5804 22794.3774 0.0000 0.0000 43848.2756 -222334.4302 159.5080 -266182.7058 -222041.4012 159.5080 -1819.5856 -2472.4986 921491.4634 -1819.5856 -2472.4986
ENERGY: 378 20473.8100 20495.6595 5711.4639 183.2952 -336584.2282 22821.5837 0.0000 0.0000 44474.7538 -222423.6620 161.7869 -266898.4159 -222044.3967 161.7869 -2972.9872 -2523.3499 921491.4634 -2972.9872 -2523.3499
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TIMING: 380 CPU: 179.079, 0.459655/step Wall: 179.079, 0.459655/step, 0.0153218 hours remaining, 3223.937500 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 19625.4115 19596.0353 5710.5349 179.0647 -336052.0492 22884.2533 0.0000 0.0000 45539.1835 -222517.5660 165.6590 -268056.7495 -222062.0927 165.6590 -569.2381 -2166.9358 921491.4634 -569.2381 -2166.9358
ENERGY: 385 19327.8182 19356.8911 5707.7752 177.4354 -335210.6406 22871.6142 0.0000 0.0000 45299.7173 -222469.3891 164.7879 -267769.1064 -222051.0995 164.7879 215.3514 -2064.3637 921491.4634 215.3514 -2064.3637
ENERGY: 386 19981.2273 19220.9464 5707.6638 175.9385 -334865.1821 22880.7956 0.0000 0.0000 44519.8588 -222378.7517 161.9510 -266898.6105 -222051.0439 161.9510 122.6669 -2011.2428 921491.4634 122.6669 -2011.2428
ENERGY: 387 20367.2860 19202.4843 5710.9354 174.6759 -335109.8727 22905.2742 0.0000 0.0000 44377.1817 -222372.0351 161.4320 -266749.2168 -222053.0052 161.4320 -738.9585 -2019.1689 921491.4634 -738.9585 -2019.1689
ENERGY: 388 20282.3987 19280.0167 5717.2934 173.7038 -335824.1518 22938.2899 0.0000 0.0000 44972.7761 -222459.6731 163.5986 -267432.4493 -222067.4818 163.5986 -2063.8553 -2076.2822 921491.4634 -2063.8553 -2076.2822
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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 19906.7783 20200.7712 5721.4919 176.2273 -336102.8171 22990.0372 0.0000 0.0000 44712.8672 -222394.6440 162.6531 -267107.5112 -222042.6598 162.6531 -376.0862 -2327.2102 921491.4634 -376.0862 -2327.2102
ENERGY: 398 19692.8115 20133.3593 5716.9814 176.0456 -336812.3374 23014.0582 0.0000 0.0000 45592.7320 -222486.3494 165.8538 -268079.0815 -222045.7221 165.8538 -1710.2236 -2443.6965 921491.4634 -1710.2236 -2443.6965
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LDB: ============= START OF LOAD BALANCING ============== 194.566
LDB: Largest compute 230 load 0.524013 is 1.1% of average load 45.606159
LDB: Average compute 0.063859 is 0.1% of average load 45.606159
LDB: TIME 194.568 LOAD: AVG 45.6062 MAX 46.0119 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.94 MB
LDB: TIME 194.568 LOAD: AVG 45.6062 MAX 46.0119 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3223.94 MB
LDB: TIME 194.569 LOAD: AVG 45.6062 MAX 46.0119 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3223.94 MB
LDB: ============== END OF LOAD BALANCING =============== 194.569
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.57
Info: Benchmark time: 4 CPUs 0.460055 s/step 5.32472 days/ns 3223.94 MB memory
TIMING: 400 CPU: 188.275, 0.459827/step Wall: 188.275, 0.459827/step, 0.012773 hours remaining, 3223.937500 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 22444.0481 19835.9107 5715.8942 173.8391 -338107.6284 23109.6375 0.0000 0.0000 44436.8099 -222391.4889 161.6489 -266828.2987 -222049.2225 161.6489 -4939.3797 -2681.7025 921491.4634 -4939.3797 -2681.7025
ENERGY: 403 20784.9696 19778.4827 5715.7218 174.2695 -337239.9781 23077.8399 0.0000 0.0000 45225.5964 -222483.0983 164.5183 -267708.6946 -222046.6853 164.5183 -3613.5980 -2605.7429 921491.4634 -3613.5980 -2605.7429
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ENERGY: 408 19735.8470 19387.6643 5692.2152 187.5226 -335902.8215 23017.8171 0.0000 0.0000 45394.4122 -222487.3432 165.1324 -267881.7554 -222063.5311 165.1324 -920.8281 -2294.1557 921491.4634 -920.8281 -2294.1557
ENERGY: 409 20350.1187 19376.4606 5688.4775 191.1593 -336896.6844 23057.9920 0.0000 0.0000 45733.6060 -222498.8703 166.3663 -268232.4763 -222051.6704 166.3663 -2367.4920 -2346.9326 921491.4634 -2367.4920 -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 21130.1418 20138.5248 5699.9334 199.7191 -337872.5318 23125.1115 0.0000 0.0000 45113.2144 -222465.8868 164.1095 -267579.1012 -222055.3452 164.1095 -3850.6271 -2398.9549 921491.4634 -3850.6271 -2398.9549
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ENERGY: 416 19942.3170 20661.9897 5710.0857 195.6954 -336157.5864 23063.1714 0.0000 0.0000 44200.2850 -222384.0421 160.7885 -266584.3272 -222052.9644 160.7885 -282.7614 -2224.6898 921491.4634 -282.7614 -2224.6898
ENERGY: 417 20031.3750 20631.3210 5709.0494 192.4696 -336373.1078 23072.1098 0.0000 0.0000 44338.4620 -222398.3210 161.2911 -266736.7830 -222044.6994 161.2911 -112.4553 -2227.1700 921491.4634 -112.4553 -2227.1700
ENERGY: 418 20154.6648 20457.0910 5705.5847 188.6537 -336970.7870 23098.6726 0.0000 0.0000 44915.1423 -222450.9779 163.3889 -267366.1202 -222046.7093 163.3889 -671.8546 -2269.9922 921491.4634 -671.8546 -2269.9922
ENERGY: 419 20790.7630 20185.5524 5700.4811 184.6055 -337717.8758 23139.8023 0.0000 0.0000 45250.3102 -222466.3614 164.6082 -267716.6715 -222049.5951 164.6082 -1783.9421 -2336.6465 921491.4634 -1783.9421 -2336.6465
TIMING: 420 CPU: 197.448, 0.458652/step Wall: 197.448, 0.458652/step, 0.0101923 hours remaining, 3223.937500 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: 425 19942.3362 19314.5608 5697.3263 169.6876 -335607.5206 23103.7921 0.0000 0.0000 44956.0480 -222423.7695 163.5377 -267379.8175 -222050.7960 163.5377 -1980.9652 -2297.0089 921491.4634 -1980.9652 -2297.0089
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ENERGY: 428 20140.4228 19760.4172 5710.4628 168.5259 -336199.9850 23087.7677 0.0000 0.0000 44884.2593 -222448.1292 163.2766 -267332.3886 -222058.0545 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 20024.3739 5712.1700 168.1897 -338096.9200 23149.4493 0.0000 0.0000 44626.3097 -222402.4402 162.3382 -267028.7499 -222047.3910 162.3382 -2472.2454 -2268.0463 921491.4634 -2472.2454 -2268.0463
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ENERGY: 432 21768.3704 20188.6725 5710.3547 168.1086 -338651.2099 23176.0845 0.0000 0.0000 45177.9907 -222461.6285 164.3451 -267639.6192 -222065.9058 164.3451 -3350.2741 -2296.1496 921491.4634 -3350.2741 -2296.1496
ENERGY: 433 21200.9072 20275.9664 5710.3763 168.4633 -338164.0634 23162.2910 0.0000 0.0000 45192.9282 -222453.1311 164.3995 -267646.0592 -222052.5981 164.3995 -3187.3732 -2272.1275 921491.4634 -3187.3732 -2272.1275
ENERGY: 434 20730.3412 20338.1500 5711.6061 169.3247 -337394.2701 23140.7734 0.0000 0.0000 44883.0996 -222420.9751 163.2724 -267304.0747 -222051.1462 163.2724 -2694.3107 -2227.7884 921491.4634 -2694.3107 -2227.7884
ENERGY: 435 20235.2201 20362.4015 5714.0003 170.8455 -336680.6551 23123.4096 0.0000 0.0000 44675.9838 -222398.7944 162.5190 -267074.7781 -222049.5888 162.5190 -2061.3582 -2179.8950 921491.4634 -2061.3582 -2179.8950
ENERGY: 436 19670.9243 20349.9982 5717.2345 173.0864 -336303.8810 23119.9077 0.0000 0.0000 44847.0982 -222425.6318 163.1414 -267272.7299 -222059.6960 163.1414 -1520.6598 -2145.1616 921491.4634 -1520.6598 -2145.1616
ENERGY: 437 19434.5517 20329.5092 5720.9893 175.9827 -336411.9783 23136.3866 0.0000 0.0000 45159.2686 -222455.2901 164.2770 -267614.5588 -222050.7503 164.2770 -1319.1169 -2134.4848 921491.4634 -1319.1169 -2134.4848
ENERGY: 438 19935.1532 20278.6095 5724.6884 179.3848 -336899.4575 23173.5518 0.0000 0.0000 45148.1324 -222459.9374 164.2365 -267608.0698 -222051.5669 164.2365 -1493.0941 -2145.0881 921491.4634 -1493.0941 -2145.0881
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TIMING: 440 CPU: 206.611, 0.458159/step Wall: 206.611, 0.458159/step, 0.00763599 hours remaining, 3223.937500 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 20036.2372 5729.7527 186.7201 -338123.1805 23276.2484 0.0000 0.0000 44417.5460 -222405.1077 161.5788 -266822.6537 -222059.4771 161.5788 -2408.4612 -2197.9671 921491.4634 -2408.4612 -2197.9671
ENERGY: 441 22355.5486 19860.0410 5730.3488 190.1145 -338361.1714 23313.2043 0.0000 0.0000 44502.6965 -222409.2177 161.8886 -266911.9142 -222050.0858 161.8886 -2716.1027 -2221.5313 921491.4634 -2716.1027 -2221.5313
ENERGY: 442 21853.6118 19664.5350 5729.4854 192.9411 -338090.1532 23327.1566 0.0000 0.0000 44880.6321 -222441.7912 163.2634 -267322.4233 -222049.7753 163.2634 -2710.5576 -2229.0696 921491.4634 -2710.5576 -2229.0696
ENERGY: 443 21064.3315 19487.0723 5727.6164 194.9329 -337369.3150 23320.0157 0.0000 0.0000 45118.1109 -222457.2352 164.1273 -267575.3462 -222048.5994 164.1273 -2448.1648 -2220.3531 921491.4634 -2448.1648 -2220.3531
ENERGY: 444 20449.3363 19357.2690 5725.4095 195.8735 -336464.1923 23301.5275 0.0000 0.0000 44987.7179 -222447.0587 163.6530 -267434.7766 -222057.9796 163.6530 -2090.2100 -2206.4399 921491.4634 -2090.2100 -2206.4399
ENERGY: 445 20125.5609 19307.2517 5723.6513 195.6942 -335759.3916 23283.8138 0.0000 0.0000 44708.7157 -222414.7040 162.6380 -267123.4197 -222046.5427 162.6380 -1846.9627 -2201.6926 921491.4634 -1846.9627 -2201.6926
ENERGY: 446 19947.6806 19324.9005 5722.5430 194.3235 -335494.5710 23276.0450 0.0000 0.0000 44620.2947 -222408.7838 162.3164 -267029.0784 -222046.1619 162.3164 -1800.7519 -2216.7294 921491.4634 -1800.7519 -2216.7294
ENERGY: 447 19914.2850 19416.0209 5722.2107 191.8641 -335769.4402 23282.7457 0.0000 0.0000 44816.5089 -222425.8049 163.0301 -267242.3138 -222046.8342 163.0301 -1993.3113 -2253.0603 921491.4634 -1993.3113 -2253.0603
ENERGY: 448 20187.5922 19583.6798 5722.5765 188.5554 -336503.1803 23303.8903 0.0000 0.0000 45065.6676 -222451.2185 163.9365 -267516.8861 -222059.3480 163.9365 -2372.1878 -2303.7899 921491.4634 -2372.1878 -2303.7899
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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 20108.1299 5724.4776 181.0898 -338419.3250 23364.6243 0.0000 0.0000 44854.3096 -222432.2086 163.1677 -267286.5182 -222048.7860 163.1677 -3116.6756 -2394.3896 921491.4634 -3116.6756 -2394.3896
ENERGY: 451 22355.5902 20357.7254 5724.7144 177.6517 -338952.0909 23381.8007 0.0000 0.0000 44542.6985 -222411.9100 162.0341 -266954.6085 -222048.8245 162.0341 -3074.2533 -2405.7797 921491.4634 -3074.2533 -2405.7797
ENERGY: 452 22246.2014 20536.0134 5723.8954 174.8859 -338927.1538 23378.0944 0.0000 0.0000 44452.9194 -222415.1439 161.7075 -266868.0633 -222059.6370 161.7075 -2659.9606 -2384.7568 921491.4634 -2659.9606 -2384.7568
ENERGY: 453 21399.8725 20641.1311 5722.2879 173.1350 -338392.7934 23354.5908 0.0000 0.0000 44683.7032 -222418.0730 162.5470 -267101.7762 -222043.5371 162.5470 -2048.3339 -2342.4668 921491.4634 -2048.3339 -2342.4668
ENERGY: 454 20248.3380 20654.1374 5720.2218 172.3637 -337567.1416 23320.6902 0.0000 0.0000 45008.1464 -222443.2441 163.7273 -267451.3905 -222041.8391 163.7273 -1453.4579 -2293.1450 921491.4634 -1453.4579 -2293.1450
ENERGY: 455 19486.7906 20584.7121 5718.4844 172.5169 -336790.6454 23290.4024 0.0000 0.0000 45086.5786 -222451.1603 164.0126 -267537.7389 -222040.8570 164.0126 -1151.8824 -2255.8572 921491.4634 -1151.8824 -2255.8572
ENERGY: 456 19493.3722 20440.6801 5717.7556 173.4248 -336350.1079 23274.9632 0.0000 0.0000 44811.4723 -222438.4396 163.0118 -267249.9119 -222055.3486 163.0118 -1305.5004 -2245.5823 921491.4634 -1305.5004 -2245.5823
ENERGY: 457 20047.4929 20251.9436 5718.5580 174.9241 -336395.8168 23277.8276 0.0000 0.0000 44521.8704 -222403.2003 161.9583 -266925.0706 -222049.4133 161.9583 -1906.4165 -2263.5013 921491.4634 -1906.4165 -2263.5013
ENERGY: 458 20585.8434 20019.2724 5720.7061 176.6081 -336835.0962 23294.7174 0.0000 0.0000 44632.7888 -222405.1599 162.3618 -267037.9488 -222051.2822 162.3618 -2684.6987 -2301.0427 921491.4634 -2684.6987 -2301.0427
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TIMING: 460 CPU: 215.762, 0.457539/step Wall: 215.762, 0.457539/step, 0.00508377 hours remaining, 3223.937500 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 19597.9066 5728.0972 179.4910 -338014.3768 23341.8003 0.0000 0.0000 45423.8564 -222480.6115 165.2395 -267904.4679 -222064.6835 165.2395 -3669.8203 -2365.2413 921491.4634 -3669.8203 -2365.2413
ENERGY: 461 21862.8762 19507.1078 5732.5753 180.4333 -338251.6215 23355.3936 0.0000 0.0000 45154.6136 -222458.6218 164.2601 -267613.2354 -222058.0506 164.2601 -3556.1667 -2361.1799 921491.4634 -3556.1667 -2361.1799
ENERGY: 462 22264.2254 19487.8112 5736.4823 180.9531 -337988.7168 23351.1087 0.0000 0.0000 44559.9289 -222408.2073 162.0968 -266968.1362 -222056.7213 162.0968 -2954.8200 -2323.4251 921491.4634 -2954.8200 -2323.4251
ENERGY: 463 21821.1789 19513.9018 5738.9361 181.1160 -337284.1025 23326.9478 0.0000 0.0000 44313.4569 -222388.5651 161.2002 -266702.0220 -222054.6241 161.2002 -2012.4423 -2264.0778 921491.4634 -2012.4423 -2264.0778
ENERGY: 464 20535.2458 19559.9274 5739.2518 181.0096 -336389.3838 23291.1942 0.0000 0.0000 44654.0265 -222428.7285 162.4391 -267082.7549 -222058.5729 162.4391 -1050.9226 -2205.5268 921491.4634 -1050.9226 -2205.5268
ENERGY: 465 19322.7827 19631.8855 5737.2899 180.7155 -335701.1532 23259.7391 0.0000 0.0000 45094.5686 -222474.1720 164.0416 -267568.7405 -222052.9388 164.0416 -512.3346 -2174.4008 921491.4634 -512.3346 -2174.4008
ENERGY: 466 19088.4511 19708.3581 5733.2107 180.2808 -335443.7724 23245.0604 0.0000 0.0000 45020.7907 -222467.6206 163.7733 -267488.4113 -222052.9785 163.7733 -630.3314 -2182.6710 921491.4634 -630.3314 -2182.6710
ENERGY: 467 19841.8071 19783.1741 5727.6704 179.7757 -335721.0950 23249.4529 0.0000 0.0000 44523.6666 -222415.5483 161.9649 -266939.2148 -222054.3495 161.9649 -1393.6030 -2232.5924 921491.4634 -1393.6030 -2232.5924
ENERGY: 468 20761.8482 19845.4940 5721.5090 179.2779 -336451.5664 23265.8125 0.0000 0.0000 44291.6587 -222385.9661 161.1209 -266677.6248 -222056.3589 161.1209 -2508.6714 -2314.1340 921491.4634 -2508.6714 -2314.1340
ENERGY: 469 21236.3017 19910.2019 5715.6824 178.8504 -337458.3200 23284.3961 0.0000 0.0000 44720.3204 -222412.5671 162.6802 -267132.8875 -222046.0748 162.6802 -3596.7407 -2405.7972 921491.4634 -3596.7407 -2405.7972
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1732 19972.8933 5710.9491 178.5947 -338383.2506 23297.0672 0.0000 0.0000 45346.4576 -222466.1154 164.9579 -267812.5730 -222047.6087 164.9579 -4259.6996 -2477.6831 921491.4634 -4259.6996 -2477.6831
ENERGY: 471 21732.8678 20054.6834 5707.9626 178.5890 -338913.2451 23297.5085 0.0000 0.0000 45471.3368 -222470.2969 165.4122 -267941.6337 -222047.5357 165.4122 -4290.5684 -2504.3175 921491.4634 -4290.5684 -2504.3175
ENERGY: 472 22081.2360 20161.5551 5707.0091 178.9047 -338870.6768 23279.4491 0.0000 0.0000 45028.5299 -222433.9929 163.8014 -267462.5229 -222059.5058 163.8014 -3659.7361 -2479.9185 921491.4634 -3659.7361 -2479.9185
ENERGY: 473 21866.1360 20289.3426 5707.9843 179.6165 -338307.7193 23240.7363 0.0000 0.0000 44634.5177 -222389.3859 162.3681 -267023.9036 -222043.8540 162.3681 -2556.3616 -2408.1658 921491.4634 -2556.3616 -2408.1658
ENERGY: 474 20842.9703 20372.0986 5710.2161 180.7466 -337438.4555 23189.2348 0.0000 0.0000 44733.2310 -222409.9582 162.7272 -267143.1892 -222041.2620 162.7272 -1295.5525 -2316.2729 921491.4634 -1295.5525 -2316.2729
ENERGY: 475 19674.2081 20371.7673 5712.9876 182.2512 -336604.2317 23142.3817 0.0000 0.0000 45070.2142 -222450.4216 163.9531 -267520.6358 -222039.4530 163.9531 -344.6450 -2232.2127 921491.4634 -344.6450 -2232.2127
ENERGY: 476 19235.7863 20282.0274 5715.7683 184.0125 -336100.0908 23115.8466 0.0000 0.0000 45106.0637 -222460.5860 164.0835 -267566.6497 -222053.6137 164.0835 -92.4051 -2183.0654 921491.4634 -92.4051 -2183.0654
ENERGY: 477 19704.7251 20145.9812 5718.4976 185.9230 -336101.8795 23114.2939 0.0000 0.0000 44812.3213 -222420.1373 163.0149 -267232.4586 -222044.8410 163.0149 -667.4948 -2171.8230 921491.4634 -667.4948 -2171.8230
ENERGY: 478 20493.4778 19974.7638 5721.0254 187.7262 -336537.4042 23131.2459 0.0000 0.0000 44627.0337 -222402.1313 162.3409 -267029.1650 -222047.4105 162.3409 -1807.1607 -2198.7958 921491.4634 -1807.1607 -2198.7958
ENERGY: 479 21125.3060 19793.3956 5723.3295 189.2099 -337215.5843 23156.6771 0.0000 0.0000 44802.1580 -222425.5081 162.9779 -267227.6661 -222050.5459 162.9779 -3089.8519 -2246.7920 921491.4634 -3089.8519 -2246.7920
TIMING: 480 CPU: 224.914, 0.457605/step Wall: 224.914, 0.457605/step, 0.00254225 hours remaining, 3223.937500 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 19623.1965 5725.3111 190.1900 -337854.6786 23181.5117 0.0000 0.0000 45051.6815 -222458.7548 163.8856 -267510.4363 -222064.6208 163.8856 -4077.7328 -2291.4893 921491.4634 -4077.7328 -2291.4893
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ENERGY: 482 22186.3466 19466.6795 5728.4964 190.3598 -338044.5416 23192.7473 0.0000 0.0000 44865.8523 -222414.0598 163.2096 -267279.9121 -222051.4110 163.2096 -4059.3099 -2278.0616 921491.4634 -4059.3099 -2278.0616
ENERGY: 483 21553.1411 19511.5745 5729.5660 189.3227 -337426.2182 23165.8738 0.0000 0.0000 44861.8973 -222414.8428 163.1953 -267276.7401 -222048.7670 163.1953 -2964.1723 -2216.4117 921491.4634 -2964.1723 -2216.4117
ENERGY: 484 20460.8925 19631.1938 5730.2465 187.5455 -336590.8885 23126.1349 0.0000 0.0000 45003.6035 -222451.2718 163.7107 -267454.8753 -222059.8743 163.7107 -1565.2427 -2143.1853 921491.4634 -1565.2427 -2143.1853
ENERGY: 485 19688.7721 19800.2990 5730.5256 185.2458 -335902.5868 23092.8468 0.0000 0.0000 44955.5729 -222449.3246 163.5360 -267404.8975 -222045.9606 163.5360 -422.1572 -2086.8739 921491.4634 -422.1572 -2086.8739
ENERGY: 486 19602.5428 19954.8174 5729.7198 182.4662 -335612.3572 23080.3806 0.0000 0.0000 44645.9122 -222416.5182 162.4096 -267062.4304 -222044.6761 162.4096 87.3177 -2070.0986 921491.4634 87.3177 -2070.0986
ENERGY: 487 19881.0927 20072.0211 5727.4347 179.4360 -335846.4488 23091.0543 0.0000 0.0000 44503.3500 -222392.0600 161.8910 -266895.4100 -222045.2407 161.8910 -192.2351 -2106.8844 921491.4634 -192.2351 -2106.8844
ENERGY: 488 20125.2100 20156.1361 5723.5441 176.4338 -336552.5459 23118.8615 0.0000 0.0000 44827.0564 -222425.3039 163.0685 -267252.3604 -222057.1937 163.0685 -1145.7536 -2194.6681 921491.4634 -1145.7536 -2194.6681
ENERGY: 489 20526.8875 20236.4610 5718.5749 173.8639 -337540.4663 23156.7309 0.0000 0.0000 45266.1011 -222461.8471 164.6656 -267727.9482 -222045.6084 164.6656 -2511.2407 -2316.7068 921491.4634 -2511.2407 -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 21410.7493 20292.9024 5712.8912 171.8438 -338458.1369 23196.4877 0.0000 0.0000 45213.5635 -222459.6992 164.4745 -267673.2626 -222048.2206 164.4745 -3823.4041 -2437.4156 921491.4634 -3823.4041 -2437.4156
ENERGY: 491 22430.4641 20312.1363 5707.3795 170.5404 -338984.5802 23226.0936 0.0000 0.0000 44733.0095 -222404.9567 162.7264 -267137.9662 -222049.4636 162.7264 -4629.6935 -2524.6216 921491.4634 -4629.6935 -2524.6216
ENERGY: 492 22612.9546 20289.6814 5702.9944 170.0208 -338937.5825 23232.7205 0.0000 0.0000 44542.1957 -222387.0151 162.0323 -266929.2108 -222060.3860 162.0323 -4606.8525 -2557.4732 921491.4634 -4606.8525 -2557.4732
ENERGY: 493 21558.2186 20260.7377 5700.7779 170.3201 -338358.0642 23214.0537 0.0000 0.0000 45033.8237 -222420.1326 163.8207 -267453.9563 -222046.5901 163.8207 -3796.3820 -2540.0998 921491.4634 -3796.3820 -2540.0998
ENERGY: 494 20068.3365 20225.0264 5700.9806 171.2193 -337454.3844 23183.0796 0.0000 0.0000 45622.2481 -222483.4940 165.9612 -268105.7421 -222044.0868 165.9612 -2500.8993 -2482.1070 921491.4634 -2500.8993 -2482.1070
ENERGY: 495 19383.2463 20186.8303 5703.5926 172.5416 -336566.9896 23159.4626 0.0000 0.0000 45484.1236 -222477.1925 165.4587 -267961.3161 -222041.5564 165.4587 -1249.6838 -2407.3057 921491.4634 -1249.6838 -2407.3057
ENERGY: 496 19722.4834 20130.6474 5708.0350 174.0933 -335998.7161 23154.2638 0.0000 0.0000 44699.5276 -222409.6656 162.6046 -267109.1932 -222049.0666 162.6046 -478.8997 -2343.4750 921491.4634 -478.8997 -2343.4750
ENERGY: 497 20212.6668 20059.9178 5713.4613 175.7242 -335952.5048 23166.3548 0.0000 0.0000 44261.0294 -222363.3506 161.0095 -266624.3800 -222042.7496 161.0095 -421.0231 -2316.7927 921491.4634 -421.0231 -2316.7927
ENERGY: 498 20182.0165 19957.1217 5718.5596 177.2604 -336366.4939 23189.3588 0.0000 0.0000 44728.2539 -222413.9229 162.7091 -267142.1768 -222044.5215 162.7091 -993.4678 -2331.6471 921491.4634 -993.4678 -2331.6471
ENERGY: 499 20158.0680 19847.7311 5722.4089 178.6361 -337058.4829 23219.2407 0.0000 0.0000 45439.2646 -222493.1335 165.2956 -267932.3981 -222047.2058 165.2956 -2020.8686 -2376.3388 921491.4634 -2020.8686 -2376.3388
Info: Benchmark time: 4 CPUs 0.457205 s/step 5.29173 days/ns 3223.94 MB memory
TIMING: 500 CPU: 233.996, 0.454079/step Wall: 233.996, 0.454079/step, 0 hours remaining, 3223.937500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8938 19756.6586 5724.4523 179.8271 -337741.4200 23251.1012 0.0000 0.0000 45359.0778 -222495.4090 165.0039 -267854.4869 -222061.0908 165.0039 -3197.5168 -2425.4142 921491.4634 -3197.5168 -2425.4142
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, 3229.207 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.207 MB of memory in use
====================================================
WallClock: 241.178726 CPUTime: 241.178726 Memory: 3229.207031 MB
[Partition 0][Node 0] End of program
Application 1109700 resources: utime ~948s, stime ~19s, Rss ~127000, inblocks ~66552, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.178726
CPU=241.178726
MEM=3229.207031
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 13 18:50 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 13 18:50 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 13 18:50 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 13 18:49 status
-rwxr-xr-x 1 bwjenkins BW_System 189497 Dec 13 18:49 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505293 Dec 13 18:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 13 18:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 13 18:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 13 18:22 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 13 18:22 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 13 18:22 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 13 18:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 13 18:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 13 18:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 13 18:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 13 18:21 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/jenkins11196764549314584867.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}
