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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 90 22711.6048 19691.0676 5699.8921 181.1111 -335712.1128 22705.2745 0.0000 0.0000 42377.6759 -222345.4868 154.1583 -264723.1627 -222389.2090 154.1583 -2670.9832 -2080.5817 921491.4634 -2670.9832 -2080.5817
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LDB: ============= START OF LOAD BALANCING ============== 54.6857
LDB: Largest compute 200 load 0.430773 is 1.2% of average load 36.893839
LDB: Average compute 0.051690 is 0.1% of average load 36.893839
LDB: Partitioning computes with target load 3.689384
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055872
LDB: ============== END OF LOAD BALANCING =============== 54.6878
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.6887
Info: Initial time: 4 CPUs 0.475894 s/step 5.50804 days/ns 3221.42 MB memory
TIMING: 100 CPU: 48.5662, 0.474884/step Wall: 48.5662, 0.474884/step, 0.0527649 hours remaining, 3221.417969 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 64.1687
LDB: ============== END OF LOAD BALANCING =============== 64.1688
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.1693
TIMING: 120 CPU: 58.0465, 0.474011/step Wall: 58.0465, 0.474011/step, 0.0500345 hours remaining, 3221.605469 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 130 21553.6087 18898.7761 5736.4508 185.0194 -334776.0135 21118.0422 0.0000 0.0000 44811.1497 -222472.9667 163.0106 -267284.1163 -222216.5364 163.0106 -5536.0556 -2842.3154 921491.4634 -5536.0556 -2842.3154
ENERGY: 131 21530.9956 19804.6627 5745.0872 187.0957 -335083.2643 21105.7068 0.0000 0.0000 44221.5102 -222488.2059 160.8657 -266709.7161 -222215.1804 160.8657 -5164.7864 -2872.9598 921491.4634 -5164.7864 -2872.9598
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ENERGY: 138 21874.8524 19195.4802 5730.8549 192.8766 -333203.4342 21083.5323 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: 67.52, 0.473677/step Wall: 67.52, 0.473677/step, 0.0473677 hours remaining, 3221.804688 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 -333726.9440 21127.4060 0.0000 0.0000 45144.2514 -222551.1432 164.2224 -267695.3945 -222224.0360 164.2224 -5617.7628 -3080.3638 921491.4634 -5617.7628 -3080.3638
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 150 21015.8993 19956.3835 5767.3089 192.0924 -334899.3754 20845.5770 0.0000 0.0000 44606.5897 -222515.5245 162.2665 -267122.1142 -222153.2666 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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TIMING: 160 CPU: 76.9799, 0.472998/step Wall: 76.9799, 0.472998/step, 0.044672 hours remaining, 3222.074219 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 180 CPU: 86.4314, 0.472575/step Wall: 86.4314, 0.472575/step, 0.0420067 hours remaining, 3222.074219 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 19266.0404 19234.9571 5686.4352 181.9571 -332240.0935 21043.7458 0.0000 0.0000 44391.5887 -222435.3691 161.4844 -266826.9578 -222129.2887 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1125 21076.9264 0.0000 0.0000 42449.0056 -222222.0801 154.4178 -264671.0857 -222130.9079 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 102.005
LDB: Largest compute 200 load 0.424860 is 1.2% of average load 36.709520
LDB: Average compute 0.051422 is 0.1% of average load 36.709520
LDB: TIME 102.007 LOAD: AVG 36.7095 MAX 37.8362 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.46 MB
LDB: TIME 102.01 LOAD: AVG 36.7095 MAX 37.635 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.46 MB
LDB: ============== END OF LOAD BALANCING =============== 102.011
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 102.015
Info: Initial time: 4 CPUs 0.473129 s/step 5.47603 days/ns 3223.53 MB memory
TIMING: 200 CPU: 95.889, 0.472879/step Wall: 95.889, 0.472879/step, 0.0394066 hours remaining, 3223.531250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 203 20743.8944 19130.0390 5729.2400 192.0764 -333501.9373 21215.8253 0.0000 0.0000 44059.6985 -222431.1636 160.2771 -266490.8622 -222093.6429 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
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ENERGY: 208 20293.2704 20371.8902 5718.1572 182.8654 -334789.2377 21322.2410 0.0000 0.0000 44428.6270 -222472.1866 161.6191 -266900.8136 -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 -336615.7769 21385.1096 0.0000 0.0000 45251.4335 -222516.0282 164.6123 -267767.4617 -222108.2016 164.6123 -6091.3663 -2896.2626 921491.4634 -6091.3663 -2896.2626
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ENERGY: 212 23739.2710 19730.8222 5710.0295 176.0352 -336013.6225 21412.5983 0.0000 0.0000 42995.1638 -222249.7025 156.4046 -265244.8663 -222104.2317 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2160 19524.5248 5720.1722 175.9508 -334874.6441 21380.5552 0.0000 0.0000 45418.7806 -222504.4446 165.2210 -267923.2251 -222097.3833 165.2210 -2174.3116 -2725.0840 921491.4634 -2174.3116 -2725.0840
ENERGY: 214 17315.5528 19421.7448 5733.3059 176.6827 -333645.3933 21358.4485 0.0000 0.0000 46958.4702 -222681.1884 170.8220 -269639.6586 -222093.7406 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5054 19441.9743 5746.5772 178.1492 -332787.3319 21379.5596 0.0000 0.0000 45302.6746 -222527.8915 164.7987 -267830.5661 -222091.0446 164.7987 784.0016 -2554.0367 921491.4634 784.0016 -2554.0367
ENERGY: 216 20973.4716 19522.5062 5756.9571 180.1770 -332560.1062 21436.4836 0.0000 0.0000 42442.1788 -222248.3319 154.3930 -264690.5107 -222073.6157 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3867 19581.4820 5762.2416 182.5517 -333010.6759 21497.2706 0.0000 0.0000 41983.6750 -222225.0684 152.7251 -264208.7434 -222064.4465 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9158 19540.0890 5761.2415 184.9927 -333856.1149 21546.6561 0.0000 0.0000 44178.6836 -222478.5362 160.7099 -266657.2197 -222068.8156 160.7099 -2628.0653 -2703.9746 921491.4634 -2628.0653 -2703.9746
ENERGY: 219 19429.8641 19413.3931 5754.3577 187.2447 -334778.0711 21596.8809 0.0000 0.0000 45751.9297 -222644.4008 166.4329 -268396.3306 -222073.1721 166.4329 -4457.7333 -2810.5237 921491.4634 -4457.7333 -2810.5237
TIMING: 220 CPU: 105.353, 0.473201/step Wall: 105.353, 0.473201/step, 0.0368045 hours remaining, 3223.531250 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: 114.809, 0.472783/step Wall: 114.809, 0.472783/step, 0.0341454 hours remaining, 3223.531250 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 22110.7717 20111.8208 5758.5348 169.0441 -335904.8194 21831.0568 0.0000 0.0000 43526.8719 -222396.7194 158.3388 -265923.5913 -222063.5735 158.3388 -4623.1688 -2633.0912 921491.4634 -4623.1688 -2633.0912
ENERGY: 243 19462.3620 19969.6444 5749.3614 168.8705 -335233.7065 21770.4748 0.0000 0.0000 45537.0689 -222575.9244 165.6513 -268112.9934 -222061.6673 165.6513 -3760.4503 -2614.6991 921491.4634 -3760.4503 -2614.6991
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ENERGY: 246 20878.5481 19853.7022 5716.8932 174.1558 -334213.1203 21705.0851 0.0000 0.0000 43600.4182 -222284.3178 158.6063 -265884.7360 -222067.4295 158.6063 -1173.7928 -2523.3912 921491.4634 -1173.7928 -2523.3912
ENERGY: 247 19868.5287 19979.6438 5712.7400 177.5412 -334802.1841 21719.8455 0.0000 0.0000 44912.1912 -222431.6936 163.3782 -267343.8848 -222068.1393 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4926 20164.4295 5713.8450 181.3144 -335623.1355 21746.4311 0.0000 0.0000 46185.9362 -222595.6866 168.0117 -268781.6228 -222090.3128 168.0117 -1359.1247 -2608.3065 921491.4634 -1359.1247 -2608.3065
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9042 20013.1599 5733.2541 193.8023 -336093.2674 21826.9296 0.0000 0.0000 43905.3720 -222425.8454 159.7157 -266331.2174 -222091.3303 159.7157 -3843.4681 -2758.0338 921491.4634 -3843.4681 -2758.0338
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ENERGY: 256 20899.4410 18950.9578 5693.4518 195.6570 -332975.5974 21757.6848 0.0000 0.0000 43181.1613 -222297.2437 157.0812 -265478.4050 -222071.2739 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
ENERGY: 257 20029.5654 18878.1874 5681.1759 194.7976 -333481.0042 21780.2420 0.0000 0.0000 44488.5469 -222428.4890 161.8371 -266917.0360 -222060.1683 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
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TIMING: 260 CPU: 124.256, 0.472378/step Wall: 124.256, 0.472378/step, 0.0314918 hours remaining, 3223.835938 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 19781.1226 20140.5620 5703.8103 187.9445 -335614.9709 21924.4740 0.0000 0.0000 45349.7772 -222527.2803 164.9700 -267877.0575 -222051.1546 164.9700 -2647.8113 -2773.3902 921491.4634 -2647.8113 -2773.3902
ENERGY: 264 19385.2257 20436.4303 5710.6950 187.5052 -334855.9507 21907.7773 0.0000 0.0000 44751.4785 -222476.8387 162.7936 -267228.3172 -222069.1982 162.7936 -2191.1924 -2723.5293 921491.4634 -2191.1924 -2723.5293
ENERGY: 265 19946.8414 20681.9923 5713.6242 187.4392 -334395.6628 21906.0164 0.0000 0.0000 43607.6374 -222352.1119 158.6326 -265959.7493 -222054.3370 158.6326 -2038.0571 -2683.6034 921491.4634 -2038.0571 -2683.6034
ENERGY: 266 20048.7899 20788.8698 5712.1327 187.6137 -334399.4574 21914.4805 0.0000 0.0000 43399.3796 -222348.1910 157.8750 -265747.5706 -222054.3633 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0907 20691.2676 5707.0583 187.8501 -334831.4854 21930.8375 0.0000 0.0000 44220.2168 -222446.1644 160.8610 -266666.3812 -222055.6583 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9162 20375.7514 5700.1930 187.9286 -335513.7449 21959.1258 0.0000 0.0000 44823.5377 -222504.2922 163.0557 -267327.8299 -222075.9872 163.0557 -2903.2126 -2658.6180 921491.4634 -2903.2126 -2658.6180
ENERGY: 269 21396.7814 19927.1701 5694.0390 187.7640 -336221.0661 21997.2161 0.0000 0.0000 44586.5100 -222431.5856 162.1935 -267018.0955 -222066.1970 162.1935 -3401.4130 -2647.2949 921491.4634 -3401.4130 -2647.2949
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1934 19450.9167 5690.3173 187.1618 -336650.6774 22028.8071 0.0000 0.0000 44308.0076 -222365.2735 161.1804 -266673.2811 -222067.0431 161.1804 -3583.3635 -2617.7582 921491.4634 -3583.3635 -2617.7582
ENERGY: 271 22345.5824 19078.8065 5690.0209 186.1610 -336571.7891 22035.2502 0.0000 0.0000 44829.4473 -222406.5209 163.0772 -267235.9682 -222066.8383 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5583 18896.0662 5692.8269 184.9335 -335921.4614 22015.0581 0.0000 0.0000 45607.7077 -222503.3107 165.9083 -268111.0184 -222081.1569 165.9083 -2551.9682 -2501.8804 921491.4634 -2551.9682 -2501.8804
ENERGY: 273 20123.2134 18932.9081 5697.5118 183.8526 -334925.7011 21985.5297 0.0000 0.0000 45502.7162 -222499.9693 165.5264 -268002.6855 -222069.0456 165.5264 -1837.1973 -2434.6760 921491.4634 -1837.1973 -2434.6760
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ENERGY: 276 19401.8502 19594.7510 5701.2547 182.4904 -333292.1282 21971.0410 0.0000 0.0000 44028.5271 -222412.2138 160.1637 -266440.7409 -222072.9392 160.1637 -1580.1299 -2417.6040 921491.4634 -1580.1299 -2417.6040
ENERGY: 277 19149.2973 19724.7161 5695.5210 182.9396 -333864.3455 21997.2388 0.0000 0.0000 44632.8111 -222481.8215 162.3619 -267114.6327 -222061.0986 162.3619 -2311.7545 -2498.0544 921491.4634 -2311.7545 -2498.0544
ENERGY: 278 20199.4578 19713.7760 5686.9122 183.6585 -334821.1005 22041.3360 0.0000 0.0000 44532.2541 -222463.7059 161.9961 -266995.9600 -222063.4129 161.9961 -3254.8158 -2593.7696 921491.4634 -3254.8158 -2593.7696
ENERGY: 279 21984.3650 19593.9431 5677.5176 184.5187 -335888.5802 22096.4200 0.0000 0.0000 43975.0881 -222376.7277 159.9693 -266351.8159 -222065.2021 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 133.696, 0.47199/step Wall: 133.696, 0.47199/step, 0.0288438 hours remaining, 3223.835938 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 22859.3231 19458.4365 5670.0026 185.3899 -336752.6633 22145.1355 0.0000 0.0000 44066.7340 -222367.6417 160.3027 -266434.3756 -222073.4245 160.3027 -4286.3894 -2748.0546 921491.4634 -4286.3894 -2748.0546
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ENERGY: 282 20943.7898 19615.5377 5669.9796 186.8360 -336942.5033 22176.7655 0.0000 0.0000 45823.3371 -222526.2576 166.6927 -268349.5947 -222063.3314 166.6927 -2992.3270 -2779.3668 921491.4634 -2992.3270 -2779.3668
ENERGY: 283 20432.1059 19966.6613 5678.8138 187.1634 -336251.9198 22171.0649 0.0000 0.0000 45328.8522 -222487.2585 164.8939 -267816.1107 -222060.8458 164.8939 -2008.7734 -2748.2306 921491.4634 -2008.7734 -2748.2306
ENERGY: 284 20506.3997 20401.8820 5692.0830 187.1346 -335412.6298 22166.2910 0.0000 0.0000 44071.4482 -222387.3914 160.3198 -266458.8395 -222061.5539 160.3198 -1267.2789 -2712.3901 921491.4634 -1267.2789 -2712.3901
ENERGY: 285 20203.3287 20789.9628 5707.3565 186.7145 -334827.1965 22167.0166 0.0000 0.0000 43418.2631 -222354.5544 157.9437 -265772.8175 -222053.5966 157.9437 -1010.8437 -2700.0820 921491.4634 -1010.8437 -2700.0820
ENERGY: 286 19396.6310 20966.5621 5721.5032 185.8230 -334658.1149 22176.6863 0.0000 0.0000 43785.6882 -222425.2211 159.2803 -266210.9093 -222054.0581 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1192 20856.7822 5731.9346 184.4714 -334918.1481 22200.2911 0.0000 0.0000 44282.9438 -222485.6058 161.0892 -266768.5496 -222055.7252 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
ENERGY: 288 20263.2089 20475.2851 5736.9558 182.7335 -335468.3151 22237.9038 0.0000 0.0000 44116.9906 -222455.2375 160.4855 -266572.2281 -222066.9053 160.4855 -3310.5880 -2790.1553 921491.4634 -3310.5880 -2790.1553
ENERGY: 289 21886.4835 19928.6978 5736.1905 180.7560 -336126.9124 22279.0690 0.0000 0.0000 43733.4514 -222382.2642 159.0903 -266115.7156 -222062.2724 159.0903 -4368.9815 -2809.8749 921491.4634 -4368.9815 -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 19325.5265 5730.3279 178.6973 -336571.4575 22308.2175 0.0000 0.0000 44027.4236 -222385.2803 160.1597 -266412.7038 -222063.4684 160.1597 -4815.3286 -2796.0390 921491.4634 -4815.3286 -2796.0390
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LDB: ============= START OF LOAD BALANCING ============== 149.277
LDB: Largest compute 200 load 0.522135 is 1.1% of average load 45.796359
LDB: Average compute 0.064153 is 0.1% of average load 45.796359
LDB: TIME 149.279 LOAD: AVG 45.7964 MAX 47.2626 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.04 MB
LDB: TIME 149.28 LOAD: AVG 45.7964 MAX 47.2626 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.04 MB
LDB: TIME 149.296 LOAD: AVG 45.7964 MAX 46.3083 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.04 MB
LDB: ============== END OF LOAD BALANCING =============== 149.297
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 149.299
Info: Initial time: 4 CPUs 0.472272 s/step 5.46611 days/ns 3224.04 MB memory
TIMING: 300 CPU: 143.138, 0.472102/step Wall: 143.138, 0.472102/step, 0.0262279 hours remaining, 3224.035156 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: 302 21723.0647 20395.7907 5720.2599 184.8676 -337483.0149 22416.9292 0.0000 0.0000 44599.2670 -222442.8359 162.2399 -267042.1029 -222057.3397 162.2399 -3958.8648 -2554.2736 921491.4634 -3958.8648 -2554.2736
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 320 CPU: 152.374, 0.461794/step Wall: 152.374, 0.461794/step, 0.0230897 hours remaining, 3224.035156 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 22179.0069 20957.0455 5696.1855 180.4970 -337965.9625 22565.0702 0.0000 0.0000 43989.5238 -222398.6334 160.0218 -266388.1573 -222063.6574 160.0218 -4596.8828 -2640.5012 921491.4634 -4596.8828 -2640.5012
ENERGY: 323 21976.7005 21085.8079 5695.4506 181.8003 -337194.0740 22550.8103 0.0000 0.0000 43361.4902 -222342.0143 157.7372 -265703.5045 -222061.4462 157.7372 -3808.3604 -2616.6943 921491.4634 -3808.3604 -2616.6943
ENERGY: 324 20558.5068 20952.0213 5690.8582 183.3007 -336170.3971 22520.5740 0.0000 0.0000 43857.2500 -222407.8862 159.5406 -266265.1362 -222068.7481 159.5406 -2506.6900 -2573.6931 921491.4634 -2506.6900 -2573.6931
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ENERGY: 327 20020.7821 19506.2794 5669.7116 187.2139 -334851.2528 22513.0145 0.0000 0.0000 44550.7425 -222403.5088 162.0634 -266954.2513 -222059.8759 162.0634 -657.4992 -2506.5014 921491.4634 -657.4992 -2506.5014
ENERGY: 328 20934.1979 19092.0092 5666.7484 187.7399 -335303.4709 22549.7452 0.0000 0.0000 44493.2355 -222379.7947 161.8542 -266873.0302 -222061.7258 161.8542 -1393.2038 -2547.3518 921491.4634 -1393.2038 -2547.3518
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 337 20420.1635 19649.7060 5693.3319 179.7347 -334824.3555 22536.4222 0.0000 0.0000 43995.5997 -222349.3976 160.0439 -266344.9972 -222040.1024 160.0439 -1064.7183 -2460.5859 921491.4634 -1064.7183 -2460.5859
ENERGY: 338 21007.5746 19722.4641 5687.5590 179.5437 -335808.8617 22564.1943 0.0000 0.0000 44285.9172 -222361.6088 161.1000 -266647.5260 -222041.5957 161.1000 -1500.9499 -2462.8576 921491.4634 -1500.9499 -2462.8576
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TIMING: 340 CPU: 161.602, 0.461421/step Wall: 161.602, 0.461421/step, 0.0205076 hours remaining, 3224.035156 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 19898.5079 20447.2067 5699.9573 182.0106 -336095.2676 22596.5926 0.0000 0.0000 44790.9366 -222480.0559 162.9371 -267270.9926 -222071.3578 162.9371 -2338.1160 -2329.7493 921491.4634 -2338.1160 -2329.7493
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ENERGY: 346 19350.9890 19892.9543 5701.0894 182.7368 -334783.0722 22565.1334 0.0000 0.0000 44652.5020 -222437.6673 162.4335 -267090.1693 -222056.8256 162.4335 -1239.3023 -2211.7782 921491.4634 -1239.3023 -2211.7782
ENERGY: 347 20669.8296 19583.9411 5696.3950 182.8447 -334881.4386 22581.1979 0.0000 0.0000 43831.1328 -222336.0976 159.4456 -266167.2304 -222056.9474 159.4456 -1358.8147 -2194.9213 921491.4634 -1358.8147 -2194.9213
ENERGY: 348 21062.2472 19315.9904 5689.3479 182.7918 -335425.6668 22604.2197 0.0000 0.0000 44195.9877 -222375.0821 160.7729 -266571.0697 -222064.0949 160.7729 -1766.2768 -2218.9159 921491.4634 -1766.2768 -2218.9159
ENERGY: 349 20718.9515 19143.3232 5681.9008 182.6959 -336197.3782 22630.4371 0.0000 0.0000 45349.6295 -222490.4401 164.9695 -267840.0696 -222056.3110 164.9695 -2336.6409 -2270.6251 921491.4634 -2336.6409 -2270.6251
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 350 21009.3452 19066.8677 5675.7227 182.5405 -336836.8353 22661.9750 0.0000 0.0000 45710.0736 -222530.3107 166.2807 -268240.3843 -222058.0877 166.2807 -2896.5511 -2326.8869 921491.4634 -2896.5511 -2326.8869
ENERGY: 351 22235.3180 19085.8715 5672.3994 182.3762 -337072.3444 22693.2953 0.0000 0.0000 44770.4136 -222432.6705 162.8625 -267203.0841 -222058.6357 162.8625 -3254.0188 -2369.0509 921491.4634 -3254.0188 -2369.0509
ENERGY: 352 22912.9249 19180.1281 5672.7329 182.2243 -336794.7852 22708.6915 0.0000 0.0000 43795.3992 -222342.6842 159.3156 -266138.0834 -222059.3898 159.3156 -3190.0137 -2394.0290 921491.4634 -3190.0137 -2394.0290
ENERGY: 353 21825.9774 19344.0936 5676.6445 182.1014 -336147.6543 22699.4228 0.0000 0.0000 44043.1856 -222376.2291 160.2170 -266419.4148 -222047.6763 160.2170 -2709.1541 -2407.4664 921491.4634 -2709.1541 -2407.4664
ENERGY: 354 19814.0380 19544.5089 5682.7360 181.9868 -335375.1816 22676.8661 0.0000 0.0000 44983.0758 -222491.9699 163.6361 -267475.0457 -222046.2243 163.6361 -2040.9898 -2415.4742 921491.4634 -2040.9898 -2415.4742
ENERGY: 355 18879.8417 19773.7506 5689.2466 181.9196 -334823.9949 22664.4415 0.0000 0.0000 45120.2678 -222514.5271 164.1351 -267634.7949 -222044.8382 164.1351 -1600.3168 -2424.6827 921491.4634 -1600.3168 -2424.6827
ENERGY: 356 19622.4371 20015.8107 5694.4280 181.9402 -334758.7682 22674.4073 0.0000 0.0000 44153.0884 -222416.6564 160.6168 -266569.7449 -222053.0961 160.6168 -1622.0263 -2446.8266 921491.4634 -1622.0263 -2446.8266
ENERGY: 357 20687.2712 20255.1054 5697.1707 182.0215 -335288.0636 22700.2943 0.0000 0.0000 43438.0176 -222328.1829 158.0156 -265766.2005 -222042.2329 158.0156 -2061.3608 -2486.6663 921491.4634 -2061.3608 -2486.6663
ENERGY: 358 20785.4067 20424.8428 5696.9832 182.1295 -336225.9470 22730.2413 0.0000 0.0000 44019.5820 -222386.7615 160.1311 -266406.3435 -222043.9944 160.1311 -2636.8582 -2541.3593 921491.4634 -2636.8582 -2541.3593
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TIMING: 360 CPU: 170.825, 0.461146/step Wall: 170.825, 0.461146/step, 0.0179334 hours remaining, 3224.035156 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: 377 20646.4609 20251.1592 5706.5521 182.3249 -335763.5799 22794.3769 0.0000 0.0000 43848.2757 -222334.4302 159.5080 -266182.7058 -222041.4012 159.5080 -1819.5859 -2472.4987 921491.4634 -1819.5859 -2472.4987
ENERGY: 378 20473.8100 20495.6594 5711.4639 183.2952 -336584.2276 22821.5832 0.0000 0.0000 44474.7539 -222423.6620 161.7869 -266898.4159 -222044.3966 161.7869 -2972.9875 -2523.3500 921491.4634 -2972.9875 -2523.3500
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TIMING: 380 CPU: 180.041, 0.4608/step Wall: 180.041, 0.4608/step, 0.01536 hours remaining, 3224.035156 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 19596.0355 5710.5349 179.0647 -336052.0485 22884.2531 0.0000 0.0000 45539.1834 -222517.5657 165.6590 -268056.7491 -222062.0925 165.6590 -569.2380 -2166.9358 921491.4634 -569.2380 -2166.9358
ENERGY: 385 19327.8180 19356.8914 5707.7751 177.4354 -335210.6400 22871.6141 0.0000 0.0000 45299.7171 -222469.3889 164.7879 -267769.1060 -222051.0992 164.7879 215.3514 -2064.3637 921491.4634 215.3514 -2064.3637
ENERGY: 386 19981.2273 19220.9467 5707.6637 175.9384 -334865.1817 22880.7955 0.0000 0.0000 44519.8585 -222378.7515 161.9510 -266898.6100 -222051.0436 161.9510 122.6669 -2011.2428 921491.4634 122.6669 -2011.2428
ENERGY: 387 20367.2861 19202.4847 5710.9354 174.6759 -335109.8725 22905.2742 0.0000 0.0000 44377.1814 -222372.0348 161.4320 -266749.2162 -222053.0049 161.4320 -738.9585 -2019.1689 921491.4634 -738.9585 -2019.1689
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 398 19692.8115 20133.3591 5716.9814 176.0456 -336812.3378 23014.0590 0.0000 0.0000 45592.7318 -222486.3495 165.8538 -268079.0813 -222045.7221 165.8538 -1710.2234 -2443.6963 921491.4634 -1710.2234 -2443.6963
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LDB: ============= START OF LOAD BALANCING ============== 195.418
LDB: Largest compute 230 load 0.524580 is 1.1% of average load 45.784137
LDB: Average compute 0.064131 is 0.1% of average load 45.784137
LDB: TIME 195.419 LOAD: AVG 45.7841 MAX 46.1188 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.04 MB
LDB: TIME 195.42 LOAD: AVG 45.7841 MAX 46.1188 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.04 MB
LDB: TIME 195.42 LOAD: AVG 45.7841 MAX 46.1188 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.04 MB
LDB: ============== END OF LOAD BALANCING =============== 195.421
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.422
Info: Benchmark time: 4 CPUs 0.461129 s/step 5.33715 days/ns 3224.04 MB memory
TIMING: 400 CPU: 189.255, 0.460695/step Wall: 189.255, 0.460695/step, 0.0127971 hours remaining, 3224.035156 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 19835.9108 5715.8942 173.8391 -338107.6289 23109.6384 0.0000 0.0000 44436.8094 -222391.4889 161.6489 -266828.2982 -222049.2224 161.6489 -4939.3793 -2681.7023 921491.4634 -4939.3793 -2681.7023
ENERGY: 403 20784.9696 19778.4829 5715.7218 174.2695 -337239.9787 23077.8409 0.0000 0.0000 45225.5958 -222483.0983 164.5183 -267708.6941 -222046.6853 164.5183 -3613.5977 -2605.7426 921491.4634 -3613.5977 -2605.7426
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 416 19942.3170 20661.9896 5710.0857 195.6953 -336157.5868 23063.1721 0.0000 0.0000 44200.2849 -222384.0422 160.7885 -266584.3271 -222052.9645 160.7885 -282.7612 -2224.6895 921491.4634 -282.7612 -2224.6895
ENERGY: 417 20031.3750 20631.3209 5709.0493 192.4696 -336373.1082 23072.1104 0.0000 0.0000 44338.4619 -222398.3210 161.2911 -266736.7829 -222044.6994 161.2911 -112.4551 -2227.1698 921491.4634 -112.4551 -2227.1698
ENERGY: 418 20154.6648 20457.0909 5705.5847 188.6536 -336970.7874 23098.6731 0.0000 0.0000 44915.1424 -222450.9779 163.3889 -267366.1203 -222046.7094 163.3889 -671.8544 -2269.9920 921491.4634 -671.8544 -2269.9920
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TIMING: 420 CPU: 198.446, 0.459516/step Wall: 198.446, 0.459516/step, 0.0102115 hours remaining, 3224.035156 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 428 20140.4228 19760.4169 5710.4628 168.5259 -336199.9856 23087.7678 0.0000 0.0000 44884.2600 -222448.1295 163.2766 -267332.3896 -222058.0548 163.2766 -935.5731 -2206.9584 921491.4634 -935.5731 -2206.9584
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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 22013.9871 20024.3736 5712.1699 168.1897 -338096.9208 23149.4494 0.0000 0.0000 44626.3106 -222402.4405 162.3383 -267028.7510 -222047.3913 162.3383 -2472.2456 -2268.0464 921491.4634 -2472.2456 -2268.0464
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ENERGY: 432 21768.3706 20188.6724 5710.3546 168.1086 -338651.2107 23176.0848 0.0000 0.0000 45177.9913 -222461.6285 164.3451 -267639.6198 -222065.9059 164.3451 -3350.2743 -2296.1497 921491.4634 -3350.2743 -2296.1497
ENERGY: 433 21200.9073 20275.9664 5710.3763 168.4633 -338164.0644 23162.2913 0.0000 0.0000 45192.9287 -222453.1311 164.3995 -267646.0598 -222052.5982 164.3995 -3187.3734 -2272.1276 921491.4634 -3187.3734 -2272.1276
ENERGY: 434 20730.3413 20338.1499 5711.6060 169.3247 -337394.2711 23140.7738 0.0000 0.0000 44883.1002 -222420.9752 163.2724 -267304.0754 -222051.1463 163.2724 -2694.3108 -2227.7885 921491.4634 -2694.3108 -2227.7885
ENERGY: 435 20235.2201 20362.4014 5714.0003 170.8455 -336680.6562 23123.4101 0.0000 0.0000 44675.9843 -222398.7944 162.5190 -267074.7788 -222049.5889 162.5190 -2061.3581 -2179.8950 921491.4634 -2061.3581 -2179.8950
ENERGY: 436 19670.9243 20349.9981 5717.2345 173.0864 -336303.8819 23119.9083 0.0000 0.0000 44847.0986 -222425.6318 163.1414 -267272.7304 -222059.6960 163.1414 -1520.6597 -2145.1616 921491.4634 -1520.6597 -2145.1616
ENERGY: 437 19434.5517 20329.5091 5720.9893 175.9827 -336411.9792 23136.3874 0.0000 0.0000 45159.2689 -222455.2901 164.2770 -267614.5591 -222050.7503 164.2770 -1319.1167 -2134.4847 921491.4634 -1319.1167 -2134.4847
ENERGY: 438 19935.1532 20278.6095 5724.6883 179.3848 -336899.4584 23173.5526 0.0000 0.0000 45148.1326 -222459.9374 164.2365 -267608.0700 -222051.5669 164.2365 -1493.0940 -2145.0879 921491.4634 -1493.0940 -2145.0879
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TIMING: 440 CPU: 207.629, 0.459192/step Wall: 207.629, 0.459192/step, 0.00765321 hours remaining, 3224.035156 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 22071.5684 20036.2372 5729.7526 186.7201 -338123.1813 23276.2493 0.0000 0.0000 44417.5459 -222405.1078 161.5788 -266822.6536 -222059.4772 161.5788 -2408.4611 -2197.9669 921491.4634 -2408.4611 -2197.9669
ENERGY: 441 22355.5488 19860.0410 5730.3487 190.1145 -338361.1722 23313.2053 0.0000 0.0000 44502.6961 -222409.2178 161.8886 -266911.9139 -222050.0859 161.8886 -2716.1026 -2221.5311 921491.4634 -2716.1026 -2221.5311
ENERGY: 442 21853.6121 19664.5351 5729.4854 192.9411 -338090.1540 23327.1576 0.0000 0.0000 44880.6315 -222441.7912 163.2634 -267322.4227 -222049.7754 163.2634 -2710.5574 -2229.0693 921491.4634 -2710.5574 -2229.0693
ENERGY: 443 21064.3318 19487.0724 5727.6164 194.9329 -337369.3156 23320.0166 0.0000 0.0000 45118.1102 -222457.2353 164.1273 -267575.3455 -222048.5995 164.1273 -2448.1646 -2220.3528 921491.4634 -2448.1646 -2220.3528
ENERGY: 444 20449.3364 19357.2691 5725.4095 195.8735 -336464.1929 23301.5285 0.0000 0.0000 44987.7171 -222447.0589 163.6530 -267434.7760 -222057.9798 163.6530 -2090.2097 -2206.4397 921491.4634 -2090.2097 -2206.4397
ENERGY: 445 20125.5609 19307.2519 5723.6513 195.6942 -335759.3920 23283.8148 0.0000 0.0000 44708.7148 -222414.7042 162.6380 -267123.4190 -222046.5429 162.6380 -1846.9623 -2201.6923 921491.4634 -1846.9623 -2201.6923
ENERGY: 446 19947.6806 19324.9006 5722.5429 194.3235 -335494.5713 23276.0460 0.0000 0.0000 44620.2937 -222408.7840 162.3164 -267029.0776 -222046.1621 162.3164 -1800.7514 -2216.7291 921491.4634 -1800.7514 -2216.7291
ENERGY: 447 19914.2849 19416.0210 5722.2107 191.8641 -335769.4403 23282.7467 0.0000 0.0000 44816.5079 -222425.8051 163.0301 -267242.3130 -222046.8344 163.0301 -1993.3109 -2253.0600 921491.4634 -1993.3109 -2253.0600
ENERGY: 448 20187.5921 19583.6799 5722.5764 188.5554 -336503.1803 23303.8912 0.0000 0.0000 45065.6666 -222451.2187 163.9365 -267516.8853 -222059.3482 163.9365 -2372.1876 -2303.7896 921491.4634 -2372.1876 -2303.7896
ENERGY: 449 20877.4059 19832.6984 5723.5712 184.8596 -337500.9073 23334.5931 0.0000 0.0000 45101.1671 -222446.6121 164.0657 -267547.7792 -222047.7101 164.0657 -2827.1079 -2356.1405 921491.4634 -2827.1079 -2356.1405
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 -338419.3251 23364.6250 0.0000 0.0000 44854.3089 -222432.2088 163.1676 -267286.5177 -222048.7862 163.1676 -3116.6755 -2394.3894 921491.4634 -3116.6755 -2394.3894
ENERGY: 451 22355.5903 20357.7252 5724.7144 177.6517 -338952.0909 23381.8014 0.0000 0.0000 44542.6979 -222411.9102 162.0341 -266954.6081 -222048.8247 162.0341 -3074.2532 -2405.7796 921491.4634 -3074.2532 -2405.7796
ENERGY: 452 22246.2016 20536.0130 5723.8953 174.8859 -338927.1537 23378.0950 0.0000 0.0000 44452.9190 -222415.1440 161.7075 -266868.0630 -222059.6371 161.7075 -2659.9604 -2384.7565 921491.4634 -2659.9604 -2384.7565
ENERGY: 453 21399.8726 20641.1306 5722.2878 173.1350 -338392.7934 23354.5912 0.0000 0.0000 44683.7030 -222418.0731 162.5470 -267101.7761 -222043.5372 162.5470 -2048.3337 -2342.4666 921491.4634 -2048.3337 -2342.4666
ENERGY: 454 20248.3380 20654.1369 5720.2217 172.3637 -337567.1416 23320.6906 0.0000 0.0000 45008.1464 -222443.2442 163.7273 -267451.3906 -222041.8392 163.7273 -1453.4577 -2293.1448 921491.4634 -1453.4577 -2293.1448
ENERGY: 455 19486.7907 20584.7116 5718.4844 172.5169 -336790.6455 23290.4027 0.0000 0.0000 45086.5788 -222451.1604 164.0126 -267537.7392 -222040.8571 164.0126 -1151.8823 -2255.8570 921491.4634 -1151.8823 -2255.8570
ENERGY: 456 19493.3723 20440.6797 5717.7556 173.4248 -336350.1080 23274.9634 0.0000 0.0000 44811.4726 -222438.4396 163.0118 -267249.9121 -222055.3486 163.0118 -1305.5003 -2245.5822 921491.4634 -1305.5003 -2245.5822
ENERGY: 457 20047.4931 20251.9433 5718.5580 174.9241 -336395.8170 23277.8276 0.0000 0.0000 44521.8707 -222403.2003 161.9583 -266925.0709 -222049.4133 161.9583 -1906.4164 -2263.5012 921491.4634 -1906.4164 -2263.5012
ENERGY: 458 20585.8436 20019.2722 5720.7061 176.6081 -336835.0966 23294.7174 0.0000 0.0000 44632.7893 -222405.1599 162.3618 -267037.9492 -222051.2822 162.3618 -2684.6987 -2301.0427 921491.4634 -2684.6987 -2301.0427
ENERGY: 459 20903.4946 19784.9689 5724.0021 178.1985 -337468.1651 23318.6983 0.0000 0.0000 45113.9374 -222444.8653 164.1121 -267558.8027 -222053.1412 164.1121 -3350.5832 -2341.5797 921491.4634 -3350.5832 -2341.5797
TIMING: 460 CPU: 216.805, 0.458788/step Wall: 216.805, 0.458788/step, 0.00509764 hours remaining, 3224.035156 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 21262.6141 19597.9064 5728.0971 179.4910 -338014.3774 23341.8000 0.0000 0.0000 45423.8573 -222480.6115 165.2395 -267904.4688 -222064.6835 165.2395 -3669.8204 -2365.2414 921491.4634 -3669.8204 -2365.2414
ENERGY: 461 21862.8766 19507.1076 5732.5753 180.4333 -338251.6223 23355.3933 0.0000 0.0000 45154.6146 -222458.6218 164.2601 -267613.2364 -222058.0506 164.2601 -3556.1669 -2361.1801 921491.4634 -3556.1669 -2361.1801
ENERGY: 462 22264.2258 19487.8109 5736.4822 180.9531 -337988.7177 23351.1083 0.0000 0.0000 44559.9300 -222408.2073 162.0968 -266968.1373 -222056.7213 162.0968 -2954.8203 -2323.4253 921491.4634 -2954.8203 -2323.4253
ENERGY: 463 21821.1792 19513.9016 5738.9361 181.1160 -337284.1034 23326.9474 0.0000 0.0000 44313.4581 -222388.5651 161.2002 -266702.0232 -222054.6241 161.2002 -2012.4427 -2264.0780 921491.4634 -2012.4427 -2264.0780
ENERGY: 464 20535.2460 19559.9272 5739.2518 181.0096 -336389.3845 23291.1937 0.0000 0.0000 44654.0278 -222428.7283 162.4391 -267082.7561 -222058.5728 162.4391 -1050.9229 -2205.5270 921491.4634 -1050.9229 -2205.5270
ENERGY: 465 19322.7828 19631.8854 5737.2898 180.7155 -335701.1538 23259.7386 0.0000 0.0000 45094.5699 -222474.1718 164.0417 -267568.7417 -222052.9386 164.0417 -512.3347 -2174.4010 921491.4634 -512.3347 -2174.4010
ENERGY: 466 19088.4512 19708.3581 5733.2107 180.2808 -335443.7729 23245.0598 0.0000 0.0000 45020.7918 -222467.6205 163.7733 -267488.4123 -222052.9784 163.7733 -630.3315 -2182.6712 921491.4634 -630.3315 -2182.6712
ENERGY: 467 19841.8072 19783.1743 5727.6704 179.7757 -335721.0954 23249.4524 0.0000 0.0000 44523.6675 -222415.5481 161.9649 -266939.2156 -222054.3493 161.9649 -1393.6031 -2232.5926 921491.4634 -1393.6031 -2232.5926
ENERGY: 468 20761.8483 19845.4943 5721.5089 179.2778 -336451.5672 23265.8119 0.0000 0.0000 44291.6595 -222385.9664 161.1209 -266677.6259 -222056.3591 161.1209 -2508.6717 -2314.1344 921491.4634 -2508.6717 -2314.1344
ENERGY: 469 21236.3017 19910.2023 5715.6824 178.8504 -337458.3208 23284.3955 0.0000 0.0000 44720.3213 -222412.5673 162.6802 -267132.8886 -222046.0751 162.6802 -3596.7410 -2405.7977 921491.4634 -3596.7410 -2405.7977
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1733 19972.8936 5710.9491 178.5947 -338383.2514 23297.0666 0.0000 0.0000 45346.4584 -222466.1157 164.9580 -267812.5741 -222047.6089 164.9580 -4259.7001 -2477.6836 921491.4634 -4259.7001 -2477.6836
ENERGY: 471 21732.8681 20054.6837 5707.9626 178.5890 -338913.2459 23297.5079 0.0000 0.0000 45471.3375 -222470.2971 165.4122 -267941.6346 -222047.5360 165.4122 -4290.5689 -2504.3179 921491.4634 -4290.5689 -2504.3179
ENERGY: 472 22081.2364 20161.5553 5707.0091 178.9047 -338870.6772 23279.4485 0.0000 0.0000 45028.5305 -222433.9927 163.8014 -267462.5233 -222059.5056 163.8014 -3659.7365 -2479.9187 921491.4634 -3659.7365 -2479.9187
ENERGY: 473 21866.1364 20289.3427 5707.9843 179.6165 -338307.7196 23240.7358 0.0000 0.0000 44634.5183 -222389.3857 162.3681 -267023.9040 -222043.8537 162.3681 -2556.3620 -2408.1660 921491.4634 -2556.3620 -2408.1660
ENERGY: 474 20842.9705 20372.0987 5710.2160 180.7466 -337438.4557 23189.2343 0.0000 0.0000 44733.2316 -222409.9579 162.7272 -267143.1895 -222041.2617 162.7272 -1295.5527 -2316.2731 921491.4634 -1295.5527 -2316.2731
ENERGY: 475 19674.2082 20371.7674 5712.9876 182.2512 -336604.2317 23142.3813 0.0000 0.0000 45070.2146 -222450.4214 163.9531 -267520.6360 -222039.4528 163.9531 -344.6450 -2232.2128 921491.4634 -344.6450 -2232.2128
ENERGY: 476 19235.7864 20282.0274 5715.7683 184.0125 -336100.0908 23115.8462 0.0000 0.0000 45106.0639 -222460.5860 164.0835 -267566.6499 -222053.6137 164.0835 -92.4050 -2183.0655 921491.4634 -92.4050 -2183.0655
ENERGY: 477 19704.7251 20145.9812 5718.4976 185.9230 -336101.8792 23114.2936 0.0000 0.0000 44812.3213 -222420.1374 163.0149 -267232.4586 -222044.8410 163.0149 -667.4946 -2171.8230 921491.4634 -667.4946 -2171.8230
ENERGY: 478 20493.4776 19974.7637 5721.0254 187.7262 -336537.4038 23131.2457 0.0000 0.0000 44627.0337 -222402.1314 162.3409 -267029.1651 -222047.4106 162.3409 -1807.1605 -2198.7957 921491.4634 -1807.1605 -2198.7957
ENERGY: 479 21125.3057 19793.3955 5723.3295 189.2099 -337215.5838 23156.6769 0.0000 0.0000 44802.1581 -222425.5082 162.9779 -267227.6663 -222050.5459 162.9779 -3089.8517 -2246.7919 921491.4634 -3089.8517 -2246.7919
TIMING: 480 CPU: 225.975, 0.458493/step Wall: 225.975, 0.458493/step, 0.00254718 hours remaining, 3224.035156 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0327 19623.1964 5725.3111 190.1901 -337854.6783 23181.5116 0.0000 0.0000 45051.6815 -222458.7549 163.8856 -267510.4364 -222064.6209 163.8856 -4077.7328 -2291.4892 921491.4634 -4077.7328 -2291.4892
ENERGY: 481 22092.4856 19510.0432 5727.0952 190.6351 -338199.2477 23196.7957 0.0000 0.0000 45041.3367 -222440.8561 163.8480 -267482.1928 -222052.5264 163.8480 -4466.2396 -2305.6733 921491.4634 -4466.2396 -2305.6733
ENERGY: 482 22186.3470 19466.6794 5728.4964 190.3598 -338044.5414 23192.7473 0.0000 0.0000 44865.8517 -222414.0599 163.2096 -267279.9116 -222051.4111 163.2096 -4059.3100 -2278.0615 921491.4634 -4059.3100 -2278.0615
ENERGY: 483 21553.1414 19511.5745 5729.5660 189.3227 -337426.2181 23165.8739 0.0000 0.0000 44861.8967 -222414.8428 163.1953 -267276.7395 -222048.7671 163.1953 -2964.1723 -2216.4116 921491.4634 -2964.1723 -2216.4116
ENERGY: 484 20460.8926 19631.1939 5730.2465 187.5455 -336590.8880 23126.1351 0.0000 0.0000 45003.6030 -222451.2716 163.7107 -267454.8745 -222059.8741 163.7107 -1565.2425 -2143.1850 921491.4634 -1565.2425 -2143.1850
ENERGY: 485 19688.7721 19800.2992 5730.5256 185.2458 -335902.5862 23092.8470 0.0000 0.0000 44955.5722 -222449.3244 163.5360 -267404.8966 -222045.9604 163.5360 -422.1568 -2086.8736 921491.4634 -422.1568 -2086.8736
ENERGY: 486 19602.5427 19954.8177 5729.7197 182.4662 -335612.3563 23080.3807 0.0000 0.0000 44645.9112 -222416.5180 162.4096 -267062.4292 -222044.6759 162.4096 87.3182 -2070.0982 921491.4634 87.3182 -2070.0982
ENERGY: 487 19881.0925 20072.0215 5727.4347 179.4360 -335846.4477 23091.0544 0.0000 0.0000 44503.3488 -222392.0597 161.8910 -266895.4086 -222045.2405 161.8910 -192.2345 -2106.8840 921491.4634 -192.2345 -2106.8840
ENERGY: 488 20125.2097 20156.1364 5723.5441 176.4338 -336552.5447 23118.8616 0.0000 0.0000 44827.0552 -222425.3039 163.0685 -267252.3591 -222057.1936 163.0685 -1145.7532 -2194.6678 921491.4634 -1145.7532 -2194.6678
ENERGY: 489 20526.8870 20236.4611 5718.5748 173.8639 -337540.4650 23156.7310 0.0000 0.0000 45266.1001 -222461.8471 164.6656 -267727.9472 -222045.6083 164.6656 -2511.2403 -2316.7065 921491.4634 -2511.2403 -2316.7065
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7489 20292.9024 5712.8912 171.8438 -338458.1357 23196.4877 0.0000 0.0000 45213.5625 -222459.6991 164.4745 -267673.2617 -222048.2205 164.4745 -3823.4038 -2437.4153 921491.4634 -3823.4038 -2437.4153
ENERGY: 491 22430.4642 20312.1362 5707.3795 170.5404 -338984.5791 23226.0937 0.0000 0.0000 44733.0085 -222404.9566 162.7264 -267137.9651 -222049.4636 162.7264 -4629.6934 -2524.6213 921491.4634 -4629.6934 -2524.6213
ENERGY: 492 22612.9550 20289.6812 5702.9944 170.0208 -338937.5816 23232.7205 0.0000 0.0000 44542.1947 -222387.0150 162.0323 -266929.2098 -222060.3860 162.0323 -4606.8525 -2557.4729 921491.4634 -4606.8525 -2557.4729
ENERGY: 493 21558.2189 20260.7375 5700.7779 170.3200 -338358.0634 23214.0536 0.0000 0.0000 45033.8228 -222420.1326 163.8207 -267453.9554 -222046.5901 163.8207 -3796.3820 -2540.0996 921491.4634 -3796.3820 -2540.0996
ENERGY: 494 20068.3366 20225.0262 5700.9805 171.2193 -337454.3835 23183.0794 0.0000 0.0000 45622.2476 -222483.4939 165.9612 -268105.7415 -222044.0867 165.9612 -2500.8992 -2482.1068 921491.4634 -2500.8992 -2482.1068
ENERGY: 495 19383.2462 20186.8302 5703.5926 172.5416 -336566.9886 23159.4624 0.0000 0.0000 45484.1232 -222477.1925 165.4587 -267961.3157 -222041.5563 165.4587 -1249.6837 -2407.3056 921491.4634 -1249.6837 -2407.3056
ENERGY: 496 19722.4833 20130.6473 5708.0350 174.0933 -335998.7152 23154.2634 0.0000 0.0000 44699.5271 -222409.6657 162.6046 -267109.1927 -222049.0667 162.6046 -478.8995 -2343.4750 921491.4634 -478.8995 -2343.4750
ENERGY: 497 20212.6667 20059.9177 5713.4613 175.7242 -335952.5039 23166.3544 0.0000 0.0000 44261.0289 -222363.3507 161.0095 -266624.3796 -222042.7497 161.0095 -421.0230 -2316.7927 921491.4634 -421.0230 -2316.7927
ENERGY: 498 20182.0164 19957.1216 5718.5597 177.2604 -336366.4931 23189.3584 0.0000 0.0000 44728.2536 -222413.9230 162.7091 -267142.1766 -222044.5217 162.7091 -993.4678 -2331.6472 921491.4634 -993.4678 -2331.6472
ENERGY: 499 20158.0678 19847.7309 5722.4089 178.6361 -337058.4824 23219.2403 0.0000 0.0000 45439.2647 -222493.1336 165.2956 -267932.3983 -222047.2059 165.2956 -2020.8687 -2376.3390 921491.4634 -2020.8687 -2376.3390
Info: Benchmark time: 4 CPUs 0.45814 s/step 5.30255 days/ns 3224.04 MB memory
TIMING: 500 CPU: 235.069, 0.45472/step Wall: 235.069, 0.45472/step, 0 hours remaining, 3224.035156 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 19756.6584 5724.4523 179.8271 -337741.4199 23251.1008 0.0000 0.0000 45359.0782 -222495.4094 165.0039 -267854.4875 -222061.0912 165.0039 -3197.5170 -2425.4144 921491.4634 -3197.5170 -2425.4144
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, 3229.484 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.484 MB of memory in use
====================================================
WallClock: 242.123611 CPUTime: 242.123611 Memory: 3229.484375 MB
[Partition 0][Node 0] End of program
Application 1111939 resources: utime ~951s, stime ~19s, Rss ~126820, inblocks ~66664, outblocks ~71878
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=242.123611
CPU=242.123611
MEM=3229.484375
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 20 22:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 20 22:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 20 22:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 20 22:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189491 Dec 20 22:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 20 22:46 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 20 22:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 20 22:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 20 22:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 20 22:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 20 22:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 20 22:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 20 22:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 20 22:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 20 22:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 20 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/jenkins3651431844753262384.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}
