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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 ============== 54.4751
LDB: Largest compute 200 load 0.430192 is 1.2% of average load 36.853351
LDB: Average compute 0.051624 is 0.1% of average load 36.853351
LDB: Partitioning computes with target load 3.685335
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055411
LDB: ============== END OF LOAD BALANCING =============== 54.4773
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.4782
Info: Initial time: 4 CPUs 0.473993 s/step 5.48603 days/ns 3221.52 MB memory
TIMING: 100 CPU: 48.3695, 0.473021/step Wall: 48.3695, 0.473021/step, 0.0525578 hours remaining, 3221.519531 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 ============== 63.9191
LDB: ============== END OF LOAD BALANCING =============== 63.9192
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9197
TIMING: 120 CPU: 57.81, 0.472026/step Wall: 57.81, 0.472026/step, 0.049825 hours remaining, 3221.695312 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: 67.2455, 0.471778/step Wall: 67.2455, 0.471778/step, 0.0471778 hours remaining, 3221.886719 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: 76.6692, 0.471185/step Wall: 76.6692, 0.471185/step, 0.0445008 hours remaining, 3222.054688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 178 21917.7899 18733.9559 5737.6245 154.5770 -332975.2976 21015.2133 0.0000 0.0000 43101.1545 -222314.9825 156.7902 -265416.1370 -222126.1322 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
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TIMING: 180 CPU: 86.0831, 0.470692/step Wall: 86.0831, 0.470692/step, 0.0418393 hours remaining, 3222.207031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 186 19266.0405 19234.9571 5686.4352 181.9571 -332240.0938 21043.7459 0.0000 0.0000 44391.5886 -222435.3693 161.4844 -266826.9579 -222129.2889 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2966 19471.4303 5678.7398 184.6336 -333156.1128 21076.9265 0.0000 0.0000 42449.0055 -222222.0803 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 21224.0060 18800.3006 5711.3574 186.3640 -333385.4998 21161.1533 0.0000 0.0000 43911.2864 -222391.0321 159.7372 -266302.3185 -222090.4392 159.7372 -4381.6808 -2646.7680 921491.4634 -4381.6808 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.609
LDB: Largest compute 200 load 0.425858 is 1.2% of average load 36.673856
LDB: Average compute 0.051364 is 0.1% of average load 36.673856
LDB: TIME 101.611 LOAD: AVG 36.6739 MAX 37.6892 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.5 MB
LDB: TIME 101.613 LOAD: AVG 36.6739 MAX 37.5697 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.5 MB
LDB: ============== END OF LOAD BALANCING =============== 101.615
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.618
Info: Initial time: 4 CPUs 0.471253 s/step 5.45432 days/ns 3223.43 MB memory
TIMING: 200 CPU: 95.5046, 0.471074/step Wall: 95.5046, 0.471074/step, 0.0392562 hours remaining, 3223.425781 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 19130.0391 5729.2400 192.0764 -333501.9373 21215.8254 0.0000 0.0000 44059.6987 -222431.1633 160.2771 -266490.8620 -222093.6426 160.2771 -1046.8259 -2512.4435 921491.4634 -1046.8259 -2512.4435
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ENERGY: 208 20293.2702 20371.8904 5718.1572 182.8654 -334789.2377 21322.2409 0.0000 0.0000 44428.6270 -222472.1865 161.6191 -266900.8136 -222122.6314 161.6191 -3669.0641 -2719.7952 921491.4634 -3669.0641 -2719.7952
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1735 20194.2569 5705.3139 178.4614 -336615.7768 21385.1095 0.0000 0.0000 45251.4335 -222516.0281 164.6123 -267767.4616 -222108.2016 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -2896.2627
ENERGY: 211 24099.1929 19985.8632 5704.9373 176.9105 -336667.8928 21415.1477 0.0000 0.0000 43031.7286 -222254.1128 156.5376 -265285.8413 -222106.8541 156.5376 -5900.2978 -2885.1010 921491.4634 -5900.2978 -2885.1010
ENERGY: 212 23739.2710 19730.8222 5710.0295 176.0352 -336013.6227 21412.5982 0.0000 0.0000 42995.1639 -222249.7026 156.4046 -265244.8665 -222104.2318 156.4046 -4424.1003 -2820.3210 921491.4634 -4424.1003 -2820.3210
ENERGY: 213 20150.2161 19524.5248 5720.1722 175.9508 -334874.6444 21380.5551 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2253 -222097.3835 165.2210 -2174.3118 -2725.0840 921491.4634 -2174.3118 -2725.0840
ENERGY: 214 17315.5529 19421.7448 5733.3059 176.6827 -333645.3936 21358.4485 0.0000 0.0000 46958.4703 -222681.1885 170.8220 -269639.6588 -222093.7407 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5055 19441.9743 5746.5772 178.1492 -332787.3321 21379.5596 0.0000 0.0000 45302.6746 -222527.8916 164.7987 -267830.5663 -222091.0447 164.7987 784.0015 -2554.0367 921491.4634 784.0015 -2554.0367
ENERGY: 216 20973.4716 19522.5062 5756.9571 180.1770 -332560.1059 21436.4835 0.0000 0.0000 42442.1788 -222248.3317 154.3930 -264690.5104 -222073.6155 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3866 19581.4820 5762.2416 182.5517 -333010.6756 21497.2705 0.0000 0.0000 41983.6750 -222225.0681 152.7251 -264208.7431 -222064.4463 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9156 19540.0891 5761.2415 184.9927 -333856.1145 21546.6560 0.0000 0.0000 44178.6836 -222478.5359 160.7099 -266657.2195 -222068.8153 160.7099 -2628.0651 -2703.9746 921491.4634 -2628.0651 -2703.9746
ENERGY: 219 19429.8640 19413.3932 5754.3577 187.2447 -334778.0707 21596.8808 0.0000 0.0000 45751.9298 -222644.4006 166.4329 -268396.3303 -222073.1718 166.4329 -4457.7331 -2810.5236 921491.4634 -4457.7331 -2810.5236
TIMING: 220 CPU: 104.94, 0.471768/step Wall: 104.94, 0.471768/step, 0.0366931 hours remaining, 3223.425781 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: 114.368, 0.471412/step Wall: 114.368, 0.471412/step, 0.0340464 hours remaining, 3223.425781 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: 256 20899.4409 18950.9577 5693.4518 195.6570 -332975.5969 21757.6846 0.0000 0.0000 43181.1612 -222297.2436 157.0812 -265478.4048 -222071.2737 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
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TIMING: 260 CPU: 123.786, 0.470884/step Wall: 123.786, 0.470884/step, 0.0313923 hours remaining, 3223.734375 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 263 19781.1228 20140.5624 5703.8103 187.9445 -335614.9716 21924.4739 0.0000 0.0000 45349.7773 -222527.2804 164.9700 -267877.0577 -222051.1547 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2259 20436.4307 5710.6950 187.5052 -334855.9511 21907.7771 0.0000 0.0000 44751.4785 -222476.8387 162.7936 -267228.3172 -222069.1981 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
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ENERGY: 266 20048.7898 20788.8701 5712.1327 187.6137 -334399.4575 21914.4804 0.0000 0.0000 43399.3797 -222348.1910 157.8750 -265747.5707 -222054.3633 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0905 20691.2679 5707.0583 187.8501 -334831.4853 21930.8373 0.0000 0.0000 44220.2168 -222446.1644 160.8610 -266666.3812 -222055.6583 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9160 20375.7515 5700.1930 187.9286 -335513.7448 21959.1256 0.0000 0.0000 44823.5378 -222504.2923 163.0557 -267327.8301 -222075.9873 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1935 19450.9166 5690.3173 187.1618 -336650.6774 22028.8070 0.0000 0.0000 44308.0075 -222365.2736 161.1804 -266673.2812 -222067.0433 161.1804 -3583.3635 -2617.7583 921491.4634 -3583.3635 -2617.7583
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ENERGY: 272 21021.5585 18896.0661 5692.8269 184.9335 -335921.4614 22015.0579 0.0000 0.0000 45607.7076 -222503.3109 165.9083 -268111.0185 -222081.1571 165.9083 -2551.9685 -2501.8805 921491.4634 -2551.9685 -2501.8805
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7011 21985.5295 0.0000 0.0000 45502.7161 -222499.9695 165.5264 -268002.6856 -222069.0458 165.5264 -1837.1976 -2434.6761 921491.4634 -1837.1976 -2434.6761
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ENERGY: 276 19401.8501 19594.7508 5701.2547 182.4904 -333292.1278 21971.0409 0.0000 0.0000 44028.5272 -222412.2138 160.1637 -266440.7410 -222072.9393 160.1637 -1580.1299 -2417.6041 921491.4634 -1580.1299 -2417.6041
ENERGY: 277 19149.2971 19724.7160 5695.5210 182.9396 -333864.3451 21997.2386 0.0000 0.0000 44632.8113 -222481.8215 162.3619 -267114.6328 -222061.0986 162.3619 -2311.7543 -2498.0545 921491.4634 -2311.7543 -2498.0545
ENERGY: 278 20199.4576 19713.7760 5686.9122 183.6585 -334821.1003 22041.3358 0.0000 0.0000 44532.2543 -222463.7059 161.9961 -266995.9602 -222063.4129 161.9961 -3254.8156 -2593.7697 921491.4634 -3254.8156 -2593.7697
ENERGY: 279 21984.3649 19593.9432 5677.5176 184.5187 -335888.5801 22096.4198 0.0000 0.0000 43975.0883 -222376.7277 159.9693 -266351.8160 -222065.2021 159.9693 -4044.3213 -2682.8390 921491.4634 -4044.3213 -2682.8390
TIMING: 280 CPU: 133.186, 0.470013/step Wall: 133.186, 0.470013/step, 0.028723 hours remaining, 3223.734375 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 282 20943.7900 19615.5381 5669.9796 186.8360 -336942.5036 22176.7653 0.0000 0.0000 45823.3372 -222526.2575 166.6927 -268349.5946 -222063.3313 166.6927 -2992.3273 -2779.3669 921491.4634 -2992.3273 -2779.3669
ENERGY: 283 20432.1061 19966.6616 5678.8137 187.1634 -336251.9202 22171.0647 0.0000 0.0000 45328.8522 -222487.2584 164.8939 -267816.1107 -222060.8457 164.8939 -2008.7737 -2748.2306 921491.4634 -2008.7737 -2748.2306
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ENERGY: 285 20203.3287 20789.9630 5707.3565 186.7145 -334827.1965 22167.0165 0.0000 0.0000 43418.2632 -222354.5542 157.9437 -265772.8174 -222053.5964 157.9437 -1010.8437 -2700.0820 921491.4634 -1010.8437 -2700.0820
ENERGY: 286 19396.6309 20966.5623 5721.5031 185.8229 -334658.1147 22176.6862 0.0000 0.0000 43785.6883 -222425.2209 159.2803 -266210.9092 -222054.0579 159.2803 -1306.7501 -2717.2847 921491.4634 -1306.7501 -2717.2847
ENERGY: 287 19176.1190 20856.7823 5731.9346 184.4714 -334918.1478 22200.2909 0.0000 0.0000 44282.9439 -222485.6056 161.0892 -266768.5496 -222055.7250 161.0892 -2148.9611 -2753.3344 921491.4634 -2148.9611 -2753.3344
ENERGY: 288 20263.2087 20475.2851 5736.9558 182.7335 -335468.3147 22237.9036 0.0000 0.0000 44116.9907 -222455.2373 160.4855 -266572.2280 -222066.9051 160.4855 -3310.5878 -2790.1554 921491.4634 -3310.5878 -2790.1554
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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 ============== 148.713
LDB: Largest compute 200 load 0.523510 is 1.1% of average load 45.797463
LDB: Average compute 0.064157 is 0.1% of average load 45.797463
LDB: TIME 148.715 LOAD: AVG 45.7975 MAX 47.0956 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.09 MB
LDB: TIME 148.716 LOAD: AVG 45.7975 MAX 47.0956 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.09 MB
LDB: TIME 148.731 LOAD: AVG 45.7975 MAX 46.3193 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.09 MB
LDB: ============== END OF LOAD BALANCING =============== 148.732
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.734
Info: Initial time: 4 CPUs 0.470665 s/step 5.44751 days/ns 3224.09 MB memory
TIMING: 300 CPU: 142.592, 0.470276/step Wall: 142.592, 0.470276/step, 0.0261265 hours remaining, 3224.085938 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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TIMING: 320 CPU: 151.831, 0.461992/step Wall: 151.831, 0.461992/step, 0.0230996 hours remaining, 3224.085938 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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TIMING: 340 CPU: 161.065, 0.461694/step Wall: 161.065, 0.461694/step, 0.0205197 hours remaining, 3224.085938 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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TIMING: 360 CPU: 170.293, 0.461376/step Wall: 170.293, 0.461376/step, 0.0179424 hours remaining, 3224.085938 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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TIMING: 380 CPU: 179.515, 0.461121/step Wall: 179.515, 0.461121/step, 0.0153707 hours remaining, 3224.085938 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: 384 19625.4114 19596.0354 5710.5349 179.0647 -336052.0487 22884.2536 0.0000 0.0000 45539.1832 -222517.5655 165.6590 -268056.7488 -222062.0923 165.6590 -569.2378 -2166.9357 921491.4634 -569.2378 -2166.9357
ENERGY: 385 19327.8181 19356.8912 5707.7751 177.4354 -335210.6402 22871.6146 0.0000 0.0000 45299.7170 -222469.3887 164.7879 -267769.1057 -222051.0991 164.7879 215.3516 -2064.3635 921491.4634 215.3516 -2064.3635
ENERGY: 386 19981.2273 19220.9464 5707.6638 175.9385 -334865.1818 22880.7960 0.0000 0.0000 44519.8586 -222378.7513 161.9510 -266898.6099 -222051.0435 161.9510 122.6671 -2011.2427 921491.4634 122.6671 -2011.2427
ENERGY: 387 20367.2860 19202.4843 5710.9354 174.6759 -335109.8727 22905.2746 0.0000 0.0000 44377.1817 -222372.0347 161.4320 -266749.2163 -222053.0048 161.4320 -738.9584 -2019.1688 921491.4634 -738.9584 -2019.1688
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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 ============== 194.883
LDB: Largest compute 230 load 0.531697 is 1.2% of average load 45.712399
LDB: Average compute 0.064010 is 0.1% of average load 45.712399
LDB: TIME 194.884 LOAD: AVG 45.7124 MAX 46.149 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.09 MB
LDB: TIME 194.885 LOAD: AVG 45.7124 MAX 46.149 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.09 MB
LDB: TIME 194.885 LOAD: AVG 45.7124 MAX 46.149 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.09 MB
LDB: ============== END OF LOAD BALANCING =============== 194.886
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.887
Info: Benchmark time: 4 CPUs 0.461424 s/step 5.34056 days/ns 3224.09 MB memory
TIMING: 400 CPU: 188.738, 0.46114/step Wall: 188.738, 0.46114/step, 0.0128095 hours remaining, 3224.085938 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: 416 19942.3169 20661.9896 5710.0857 195.6953 -336157.5860 23063.1716 0.0000 0.0000 44200.2850 -222384.0419 160.7885 -266584.3269 -222052.9642 160.7885 -282.7612 -2224.6896 921491.4634 -282.7612 -2224.6896
ENERGY: 417 20031.3750 20631.3209 5709.0493 192.4696 -336373.1075 23072.1100 0.0000 0.0000 44338.4620 -222398.3207 161.2911 -266736.7827 -222044.6991 161.2911 -112.4552 -2227.1699 921491.4634 -112.4552 -2227.1699
ENERGY: 418 20154.6649 20457.0909 5705.5847 188.6536 -336970.7867 23098.6727 0.0000 0.0000 44915.1423 -222450.9776 163.3889 -267366.1199 -222046.7090 163.3889 -671.8546 -2269.9921 921491.4634 -671.8546 -2269.9921
ENERGY: 419 20790.7633 20185.5523 5700.4810 184.6054 -337717.8756 23139.8023 0.0000 0.0000 45250.3101 -222466.3611 164.6082 -267716.6712 -222049.5948 164.6082 -1783.9423 -2336.6465 921491.4634 -1783.9423 -2336.6465
TIMING: 420 CPU: 197.937, 0.459923/step Wall: 197.937, 0.459923/step, 0.0102205 hours remaining, 3224.085938 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: 427 19598.5316 19595.2899 5707.1504 168.7509 -335498.4312 23074.5003 0.0000 0.0000 44915.2777 -222438.9305 163.3894 -267354.2082 -222048.7333 163.3894 -741.9009 -2207.6355 921491.4634 -741.9009 -2207.6355
ENERGY: 428 20140.4230 19760.4171 5710.4628 168.5259 -336199.9848 23087.7673 0.0000 0.0000 44884.2595 -222448.1293 163.2766 -267332.3889 -222058.0546 163.2766 -935.5733 -2206.9585 921491.4634 -935.5733 -2206.9585
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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 22013.9875 20024.3739 5712.1700 168.1897 -338096.9200 23149.4488 0.0000 0.0000 44626.3099 -222402.4402 162.3383 -267028.7502 -222047.3911 162.3383 -2472.2459 -2268.0466 921491.4634 -2472.2459 -2268.0466
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ENERGY: 432 21768.3704 20188.6726 5710.3546 168.1086 -338651.2094 23176.0841 0.0000 0.0000 45177.9910 -222461.6281 164.3451 -267639.6191 -222065.9054 164.3451 -3350.2744 -2296.1499 921491.4634 -3350.2744 -2296.1499
ENERGY: 433 21200.9072 20275.9665 5710.3763 168.4633 -338164.0629 23162.2906 0.0000 0.0000 45192.9283 -222453.1307 164.3995 -267646.0591 -222052.5978 164.3995 -3187.3734 -2272.1277 921491.4634 -3187.3734 -2272.1277
ENERGY: 434 20730.3412 20338.1500 5711.6061 169.3247 -337394.2695 23140.7730 0.0000 0.0000 44883.0997 -222420.9748 163.2724 -267304.0745 -222051.1459 163.2724 -2694.3108 -2227.7886 921491.4634 -2694.3108 -2227.7886
ENERGY: 435 20235.2200 20362.4015 5714.0003 170.8455 -336680.6546 23123.4093 0.0000 0.0000 44675.9840 -222398.7941 162.5190 -267074.7780 -222049.5885 162.5190 -2061.3581 -2179.8952 921491.4634 -2061.3581 -2179.8952
ENERGY: 436 19670.9242 20349.9982 5717.2345 173.0864 -336303.8806 23119.9073 0.0000 0.0000 44847.0984 -222425.6316 163.1414 -267272.7300 -222059.6958 163.1414 -1520.6598 -2145.1618 921491.4634 -1520.6598 -2145.1618
ENERGY: 437 19434.5516 20329.5093 5720.9893 175.9827 -336411.9780 23136.3864 0.0000 0.0000 45159.2688 -222455.2899 164.2770 -267614.5587 -222050.7501 164.2770 -1319.1170 -2134.4850 921491.4634 -1319.1170 -2134.4850
ENERGY: 438 19935.1533 20278.6096 5724.6883 179.3848 -336899.4572 23173.5515 0.0000 0.0000 45148.1324 -222459.9372 164.2365 -267608.0696 -222051.5667 164.2365 -1493.0943 -2145.0882 921491.4634 -1493.0943 -2145.0882
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TIMING: 440 CPU: 207.125, 0.459405/step Wall: 207.125, 0.459405/step, 0.00765675 hours remaining, 3224.085938 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
ENERGY: 440 22071.5685 20036.2372 5729.7527 186.7201 -338123.1802 23276.2482 0.0000 0.0000 44417.5458 -222405.1076 161.5788 -266822.6534 -222059.4770 161.5788 -2408.4614 -2197.9672 921491.4634 -2408.4614 -2197.9672
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ENERGY: 442 21853.6118 19664.5349 5729.4854 192.9411 -338090.1527 23327.1565 0.0000 0.0000 44880.6319 -222441.7910 163.2634 -267322.4230 -222049.7752 163.2634 -2710.5577 -2229.0696 921491.4634 -2710.5577 -2229.0696
ENERGY: 443 21064.3316 19487.0721 5727.6164 194.9329 -337369.3143 23320.0155 0.0000 0.0000 45118.1106 -222457.2351 164.1273 -267575.3457 -222048.5993 164.1273 -2448.1648 -2220.3531 921491.4634 -2448.1648 -2220.3531
ENERGY: 444 20449.3364 19357.2688 5725.4095 195.8734 -336464.1915 23301.5273 0.0000 0.0000 44987.7176 -222447.0586 163.6530 -267434.7762 -222057.9795 163.6530 -2090.2099 -2206.4400 921491.4634 -2090.2099 -2206.4400
ENERGY: 445 20125.5608 19307.2516 5723.6513 195.6942 -335759.3907 23283.8136 0.0000 0.0000 44708.7153 -222414.7040 162.6380 -267123.4193 -222046.5426 162.6380 -1846.9626 -2201.6926 921491.4634 -1846.9626 -2201.6926
ENERGY: 446 19947.6805 19324.9004 5722.5429 194.3235 -335494.5702 23276.0448 0.0000 0.0000 44620.2944 -222408.7837 162.3164 -267029.0781 -222046.1618 162.3164 -1800.7518 -2216.7294 921491.4634 -1800.7518 -2216.7294
ENERGY: 447 19914.2849 19416.0209 5722.2107 191.8641 -335769.4394 23282.7455 0.0000 0.0000 44816.5086 -222425.8048 163.0301 -267242.3134 -222046.8341 163.0301 -1993.3113 -2253.0604 921491.4634 -1993.3113 -2253.0604
ENERGY: 448 20187.5923 19583.6799 5722.5764 188.5554 -336503.1796 23303.8901 0.0000 0.0000 45065.6671 -222451.2184 163.9365 -267516.8855 -222059.3479 163.9365 -2372.1881 -2303.7900 921491.4634 -2372.1881 -2303.7900
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4854 20108.1300 5724.4776 181.0897 -338419.3245 23364.6239 0.0000 0.0000 44854.3093 -222432.2085 163.1676 -267286.5178 -222048.7859 163.1676 -3116.6759 -2394.3898 921491.4634 -3116.6759 -2394.3898
ENERGY: 451 22355.5902 20357.7255 5724.7143 177.6517 -338952.0903 23381.8003 0.0000 0.0000 44542.6984 -222411.9099 162.0341 -266954.6082 -222048.8244 162.0341 -3074.2535 -2405.7799 921491.4634 -3074.2535 -2405.7799
ENERGY: 452 22246.2015 20536.0134 5723.8953 174.8859 -338927.1531 23378.0940 0.0000 0.0000 44452.9193 -222415.1438 161.7075 -266868.0631 -222059.6369 161.7075 -2659.9606 -2384.7569 921491.4634 -2659.9606 -2384.7569
ENERGY: 453 21399.8726 20641.1311 5722.2878 173.1350 -338392.7928 23354.5904 0.0000 0.0000 44683.7031 -222418.0728 162.5470 -267101.7759 -222043.5370 162.5470 -2048.3339 -2342.4669 921491.4634 -2048.3339 -2342.4669
ENERGY: 454 20248.3381 20654.1374 5720.2217 172.3637 -337567.1408 23320.6898 0.0000 0.0000 45008.1462 -222443.2440 163.7273 -267451.3902 -222041.8389 163.7273 -1453.4579 -2293.1451 921491.4634 -1453.4579 -2293.1451
ENERGY: 455 19486.7907 20584.7120 5718.4844 172.5169 -336790.6446 23290.4020 0.0000 0.0000 45086.5785 -222451.1601 164.0126 -267537.7386 -222040.8568 164.0126 -1151.8824 -2255.8572 921491.4634 -1151.8824 -2255.8572
ENERGY: 456 19493.3722 20440.6801 5717.7555 173.4248 -336350.1070 23274.9628 0.0000 0.0000 44811.4721 -222438.4394 163.0118 -267249.9115 -222055.3485 163.0118 -1305.5005 -2245.5824 921491.4634 -1305.5005 -2245.5824
ENERGY: 457 20047.4930 20251.9435 5718.5580 174.9241 -336395.8159 23277.8271 0.0000 0.0000 44521.8699 -222403.2002 161.9583 -266925.0701 -222049.4132 161.9583 -1906.4166 -2263.5014 921491.4634 -1906.4166 -2263.5014
ENERGY: 458 20585.8436 20019.2724 5720.7060 176.6081 -336835.0953 23294.7170 0.0000 0.0000 44632.7883 -222405.1598 162.3618 -267037.9481 -222051.2821 162.3618 -2684.6989 -2301.0428 921491.4634 -2684.6989 -2301.0428
ENERGY: 459 20903.4947 19784.9690 5724.0021 178.1985 -337468.1636 23318.6980 0.0000 0.0000 45113.9362 -222444.8652 164.1121 -267558.8013 -222053.1410 164.1121 -3350.5834 -2341.5797 921491.4634 -3350.5834 -2341.5797
TIMING: 460 CPU: 216.306, 0.459083/step Wall: 216.306, 0.459083/step, 0.00510093 hours remaining, 3224.085938 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
ENERGY: 460 21262.6140 19597.9064 5728.0971 179.4910 -338014.3756 23341.7998 0.0000 0.0000 45423.8560 -222480.6113 165.2395 -267904.4673 -222064.6832 165.2395 -3669.8203 -2365.2412 921491.4634 -3669.8203 -2365.2412
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ENERGY: 462 22264.2256 19487.8108 5736.4822 180.9531 -337988.7157 23351.1083 0.0000 0.0000 44559.9286 -222408.2070 162.0968 -266968.1356 -222056.7210 162.0968 -2954.8200 -2323.4251 921491.4634 -2954.8200 -2323.4251
ENERGY: 463 21821.1791 19513.9015 5738.9361 181.1160 -337284.1015 23326.9474 0.0000 0.0000 44313.4566 -222388.5648 161.2002 -266702.0214 -222054.6238 161.2002 -2012.4423 -2264.0778 921491.4634 -2012.4423 -2264.0778
ENERGY: 464 20535.2459 19559.9271 5739.2518 181.0096 -336389.3828 23291.1938 0.0000 0.0000 44654.0263 -222428.7282 162.4391 -267082.7545 -222058.5726 162.4391 -1050.9227 -2205.5270 921491.4634 -1050.9227 -2205.5270
ENERGY: 465 19322.7826 19631.8854 5737.2899 180.7155 -335701.1522 23259.7388 0.0000 0.0000 45094.5684 -222474.1717 164.0416 -267568.7401 -222052.9385 164.0416 -512.3347 -2174.4010 921491.4634 -512.3347 -2174.4010
ENERGY: 466 19088.4511 19708.3581 5733.2107 180.2808 -335443.7715 23245.0600 0.0000 0.0000 45020.7904 -222467.6204 163.7733 -267488.4108 -222052.9783 163.7733 -630.3316 -2182.6712 921491.4634 -630.3316 -2182.6712
ENERGY: 467 19841.8072 19783.1742 5727.6704 179.7757 -335721.0941 23249.4526 0.0000 0.0000 44523.6661 -222415.5480 161.9649 -266939.2141 -222054.3492 161.9649 -1393.6033 -2232.5926 921491.4634 -1393.6033 -2232.5926
ENERGY: 468 20761.8484 19845.4942 5721.5089 179.2778 -336451.5656 23265.8121 0.0000 0.0000 44291.6582 -222385.9658 161.1209 -266677.6240 -222056.3586 161.1209 -2508.6716 -2314.1341 921491.4634 -2508.6716 -2314.1341
ENERGY: 469 21236.3017 19910.2021 5715.6824 178.8504 -337458.3192 23284.3957 0.0000 0.0000 44720.3201 -222412.5668 162.6802 -267132.8869 -222046.0746 162.6802 -3596.7408 -2405.7973 921491.4634 -3596.7408 -2405.7973
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1731 19972.8934 5710.9491 178.5947 -338383.2498 23297.0668 0.0000 0.0000 45346.4575 -222466.1152 164.9579 -267812.5727 -222047.6084 164.9579 -4259.6997 -2477.6832 921491.4634 -4259.6997 -2477.6832
ENERGY: 471 21732.8678 20054.6834 5707.9626 178.5890 -338913.2443 23297.5080 0.0000 0.0000 45471.3368 -222470.2966 165.4122 -267941.6334 -222047.5355 165.4122 -4290.5684 -2504.3176 921491.4634 -4290.5684 -2504.3176
ENERGY: 472 22081.2361 20161.5551 5707.0091 178.9047 -338870.6761 23279.4486 0.0000 0.0000 45028.5298 -222433.9928 163.8014 -267462.5226 -222059.5057 163.8014 -3659.7363 -2479.9187 921491.4634 -3659.7363 -2479.9187
ENERGY: 473 21866.1362 20289.3426 5707.9843 179.6165 -338307.7186 23240.7358 0.0000 0.0000 44634.5175 -222389.3858 162.3681 -267023.9033 -222043.8538 162.3681 -2556.3618 -2408.1660 921491.4634 -2556.3618 -2408.1660
ENERGY: 474 20842.9703 20372.0986 5710.2160 180.7466 -337438.4548 23189.2343 0.0000 0.0000 44733.2310 -222409.9580 162.7272 -267143.1890 -222041.2618 162.7272 -1295.5527 -2316.2731 921491.4634 -1295.5527 -2316.2731
ENERGY: 475 19674.2079 20371.7674 5712.9876 182.2512 -336604.2310 23142.3812 0.0000 0.0000 45070.2142 -222450.4215 163.9531 -267520.6357 -222039.4528 163.9531 -344.6452 -2232.2129 921491.4634 -344.6452 -2232.2129
ENERGY: 476 19235.7862 20282.0275 5715.7683 184.0125 -336100.0900 23115.8460 0.0000 0.0000 45106.0636 -222460.5858 164.0835 -267566.6495 -222053.6135 164.0835 -92.4052 -2183.0655 921491.4634 -92.4052 -2183.0655
ENERGY: 477 19704.7251 20145.9813 5718.4976 185.9230 -336101.8787 23114.2933 0.0000 0.0000 44812.3211 -222420.1372 163.0149 -267232.4583 -222044.8409 163.0149 -667.4949 -2171.8231 921491.4634 -667.4949 -2171.8231
ENERGY: 478 20493.4778 19974.7638 5721.0254 187.7262 -336537.4034 23131.2453 0.0000 0.0000 44627.0336 -222402.1312 162.3409 -267029.1649 -222047.4104 162.3409 -1807.1608 -2198.7958 921491.4634 -1807.1608 -2198.7958
ENERGY: 479 21125.3058 19793.3955 5723.3295 189.2099 -337215.5835 23156.6764 0.0000 0.0000 44802.1583 -222425.5080 162.9779 -267227.6664 -222050.5458 162.9779 -3089.8519 -2246.7920 921491.4634 -3089.8519 -2246.7920
TIMING: 480 CPU: 225.488, 0.459065/step Wall: 225.488, 0.459065/step, 0.00255036 hours remaining, 3224.085938 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
ENERGY: 480 21624.0327 19623.1963 5725.3111 190.1900 -337854.6783 23181.5110 0.0000 0.0000 45051.6821 -222458.7551 163.8856 -267510.4372 -222064.6210 163.8856 -4077.7330 -2291.4895 921491.4634 -4077.7330 -2291.4895
ENERGY: 481 22092.4854 19510.0432 5727.0952 190.6351 -338199.2478 23196.7951 0.0000 0.0000 45041.3374 -222440.8564 163.8480 -267482.1938 -222052.5266 163.8480 -4466.2397 -2305.6736 921491.4634 -4466.2397 -2305.6736
ENERGY: 482 22186.3468 19466.6793 5728.4963 190.3598 -338044.5414 23192.7466 0.0000 0.0000 44865.8526 -222414.0601 163.2096 -267279.9127 -222051.4113 163.2096 -4059.3100 -2278.0618 921491.4634 -4059.3100 -2278.0618
ENERGY: 483 21553.1413 19511.5744 5729.5660 189.3227 -337426.2181 23165.8731 0.0000 0.0000 44861.8975 -222414.8430 163.1953 -267276.7405 -222048.7673 163.1953 -2964.1724 -2216.4119 921491.4634 -2964.1724 -2216.4119
ENERGY: 484 20460.8925 19631.1938 5730.2465 187.5455 -336590.8874 23126.1342 0.0000 0.0000 45003.6037 -222451.2712 163.7107 -267454.8749 -222059.8736 163.7107 -1565.2425 -2143.1851 921491.4634 -1565.2425 -2143.1851
ENERGY: 485 19688.7721 19800.2991 5730.5256 185.2458 -335902.5855 23092.8461 0.0000 0.0000 44955.5729 -222449.3240 163.5360 -267404.8970 -222045.9600 163.5360 -422.1570 -2086.8737 921491.4634 -422.1570 -2086.8737
ENERGY: 486 19602.5428 19954.8175 5729.7197 182.4662 -335612.3556 23080.3797 0.0000 0.0000 44645.9121 -222416.5176 162.4096 -267062.4297 -222044.6755 162.4096 87.3179 -2070.0983 921491.4634 87.3179 -2070.0983
ENERGY: 487 19881.0927 20072.0211 5727.4347 179.4360 -335846.4470 23091.0534 0.0000 0.0000 44503.3497 -222392.0594 161.8910 -266895.4091 -222045.2401 161.8910 -192.2349 -2106.8841 921491.4634 -192.2349 -2106.8841
ENERGY: 488 20125.2099 20156.1360 5723.5441 176.4338 -336552.5448 23118.8606 0.0000 0.0000 44827.0562 -222425.3042 163.0685 -267252.3604 -222057.1939 163.0685 -1145.7539 -2194.6684 921491.4634 -1145.7539 -2194.6684
ENERGY: 489 20526.8872 20236.4607 5718.5748 173.8639 -337540.4650 23156.7300 0.0000 0.0000 45266.1010 -222461.8474 164.6656 -267727.9484 -222045.6086 164.6656 -2511.2409 -2316.7070 921491.4634 -2511.2409 -2316.7070
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7490 20292.9020 5712.8912 171.8438 -338458.1355 23196.4868 0.0000 0.0000 45213.5633 -222459.6994 164.4745 -267673.2628 -222048.2208 164.4745 -3823.4043 -2437.4158 921491.4634 -3823.4043 -2437.4158
ENERGY: 491 22430.4640 20312.1360 5707.3795 170.5404 -338984.5787 23226.0928 0.0000 0.0000 44733.0092 -222404.9569 162.7264 -267137.9661 -222049.4639 162.7264 -4629.6937 -2524.6218 921491.4634 -4629.6937 -2524.6218
ENERGY: 492 22612.9547 20289.6811 5702.9944 170.0208 -338937.5805 23232.7196 0.0000 0.0000 44542.1952 -222387.0148 162.0323 -266929.2099 -222060.3857 162.0323 -4606.8525 -2557.4731 921491.4634 -4606.8525 -2557.4731
ENERGY: 493 21558.2187 20260.7376 5700.7779 170.3200 -338358.0623 23214.0527 0.0000 0.0000 45033.8230 -222420.1323 163.8207 -267453.9553 -222046.5898 163.8207 -3796.3820 -2540.0998 921491.4634 -3796.3820 -2540.0998
ENERGY: 494 20068.3365 20225.0264 5700.9805 171.2193 -337454.3824 23183.0786 0.0000 0.0000 45622.2475 -222483.4936 165.9612 -268105.7411 -222044.0865 165.9612 -2500.8993 -2482.1070 921491.4634 -2500.8993 -2482.1070
ENERGY: 495 19383.2463 20186.8304 5703.5926 172.5416 -336566.9875 23159.4616 0.0000 0.0000 45484.1229 -222477.1922 165.4587 -267961.3151 -222041.5560 165.4587 -1249.6839 -2407.3058 921491.4634 -1249.6839 -2407.3058
ENERGY: 496 19722.4834 20130.6474 5708.0350 174.0933 -335998.7147 23154.2627 0.0000 0.0000 44699.5268 -222409.6660 162.6046 -267109.1928 -222049.0670 162.6046 -478.9001 -2343.4754 921491.4634 -478.9001 -2343.4754
ENERGY: 497 20212.6668 20059.9177 5713.4612 175.7242 -335952.5034 23166.3537 0.0000 0.0000 44261.0287 -222363.3511 161.0095 -266624.3798 -222042.7500 161.0095 -421.0236 -2316.7931 921491.4634 -421.0236 -2316.7931
ENERGY: 498 20182.0164 19957.1215 5718.5596 177.2604 -336366.4926 23189.3577 0.0000 0.0000 44728.2536 -222413.9234 162.7091 -267142.1769 -222044.5220 162.7091 -993.4683 -2331.6476 921491.4634 -993.4683 -2331.6476
ENERGY: 499 20158.0678 19847.7307 5722.4089 178.6361 -337058.4817 23219.2396 0.0000 0.0000 45439.2646 -222493.1340 165.2956 -267932.3986 -222047.2062 165.2956 -2020.8691 -2376.3393 921491.4634 -2020.8691 -2376.3393
Info: Benchmark time: 4 CPUs 0.458591 s/step 5.30777 days/ns 3224.09 MB memory
TIMING: 500 CPU: 234.597, 0.455489/step Wall: 234.597, 0.455489/step, 0 hours remaining, 3224.085938 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
ENERGY: 500 20974.8937 19756.6582 5724.4523 179.8271 -337741.4181 23251.1001 0.0000 0.0000 45359.0779 -222495.4088 165.0039 -267854.4867 -222061.0906 165.0039 -3197.5169 -2425.4143 921491.4634 -3197.5169 -2425.4143
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.383 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.383 MB of memory in use
====================================================
WallClock: 241.632187 CPUTime: 241.632187 Memory: 3229.382812 MB
[Partition 0][Node 0] End of program
Application 1110545 resources: utime ~949s, stime ~19s, Rss ~126908, inblocks ~66552, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.632187
CPU=241.632187
MEM=3229.382812
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 16 10:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 16 10:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 16 10:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 16 10:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189495 Dec 16 10:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 16 10:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 16 10:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 16 10:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 16 10:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 16 10:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 16 10:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 16 10:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 16 10:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 16 10:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 16 10:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 16 10:21 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/jenkins4215098429598914302.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}
