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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 ============== 54.3323
LDB: Largest compute 200 load 0.429487 is 1.2% of average load 36.844885
LDB: Average compute 0.051623 is 0.1% of average load 36.844885
LDB: Partitioning computes with target load 3.684488
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055242
LDB: ============== END OF LOAD BALANCING =============== 54.3345
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.3353
Info: Initial time: 4 CPUs 0.474714 s/step 5.49437 days/ns 3221.46 MB memory
TIMING: 100 CPU: 48.4462, 0.473833/step Wall: 48.4462, 0.473833/step, 0.0526481 hours remaining, 3221.464844 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 ============== 63.7911
LDB: ============== END OF LOAD BALANCING =============== 63.7912
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7916
TIMING: 120 CPU: 57.8995, 0.472664/step Wall: 57.8995, 0.472664/step, 0.0498924 hours remaining, 3221.593750 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: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4344 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8377 -222213.1815 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.351, 0.472576/step Wall: 67.351, 0.472576/step, 0.0472576 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
ENERGY: 150 21015.8993 19956.3835 5767.3089 192.0924 -334899.3754 20845.5771 0.0000 0.0000 44606.5898 -222515.5243 162.2665 -267122.1142 -222153.2665 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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TIMING: 160 CPU: 76.7881, 0.471855/step Wall: 76.7881, 0.471855/step, 0.0445641 hours remaining, 3222.109375 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 178 21917.7900 18733.9560 5737.6245 154.5770 -332975.2975 21015.2132 0.0000 0.0000 43101.1545 -222314.9822 156.7902 -265416.1367 -222126.1319 156.7902 -2936.2256 -2665.7683 921491.4634 -2936.2256 -2665.7683
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TIMING: 180 CPU: 86.2157, 0.471381/step Wall: 86.2157, 0.471381/step, 0.0419006 hours remaining, 3222.109375 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 186 19266.0406 19234.9570 5686.4352 181.9571 -332240.0934 21043.7459 0.0000 0.0000 44391.5887 -222435.3689 161.4844 -266826.9576 -222129.2885 161.4844 -2596.4731 -2731.4263 921491.4634 -2596.4731 -2731.4263
ENERGY: 187 22073.2968 19471.4302 5678.7398 184.6336 -333156.1123 21076.9264 0.0000 0.0000 42449.0056 -222222.0798 154.4178 -264671.0854 -222130.9077 154.4178 -3641.8535 -2802.0866 921491.4634 -3641.8535 -2802.0866
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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: 197 21700.3670 19122.7580 5714.1451 184.7200 -332668.2730 21129.4587 0.0000 0.0000 42574.3655 -222242.4587 154.8738 -264816.8242 -222086.7179 154.8738 -3040.7436 -2596.5494 921491.4634 -3040.7436 -2596.5494
ENERGY: 198 21224.0060 18800.3005 5711.3574 186.3640 -333385.4997 21161.1533 0.0000 0.0000 43911.2865 -222391.0320 159.7372 -266302.3185 -222090.4391 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.535
LDB: Largest compute 200 load 0.424987 is 1.2% of average load 36.665081
LDB: Average compute 0.051362 is 0.1% of average load 36.665081
LDB: TIME 101.537 LOAD: AVG 36.6651 MAX 37.7435 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.46 MB
LDB: TIME 101.539 LOAD: AVG 36.6651 MAX 37.5748 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.46 MB
LDB: ============== END OF LOAD BALANCING =============== 101.541
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.544
Info: Initial time: 4 CPUs 0.471924 s/step 5.46208 days/ns 3223.91 MB memory
TIMING: 200 CPU: 95.6484, 0.471635/step Wall: 95.6484, 0.471635/step, 0.039303 hours remaining, 3223.906250 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: 202 23622.8119 18850.8449 5722.5980 192.1474 -334305.3005 21243.2751 0.0000 0.0000 42432.5588 -222241.0644 154.3580 -264673.6233 -222096.8288 154.3580 -3005.0519 -2588.0013 921491.4634 -3005.0519 -2588.0013
ENERGY: 203 20743.8946 19130.0389 5729.2400 192.0764 -333501.9371 21215.8253 0.0000 0.0000 44059.6987 -222431.1632 160.2771 -266490.8619 -222093.6424 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6124 19486.9555 5734.1463 191.2124 -332722.2198 21188.8402 0.0000 0.0000 45629.4721 -222628.9809 165.9875 -268258.4529 -222116.7001 165.9875 452.9933 -2462.2930 921491.4634 452.9933 -2462.2930
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ENERGY: 207 21693.8032 20338.2890 5726.5434 185.3060 -333603.9789 21289.9001 0.0000 0.0000 42143.6914 -222226.4458 153.3072 -264370.1372 -222103.0931 153.3072 -1896.3477 -2585.9683 921491.4634 -1896.3477 -2585.9683
ENERGY: 208 20293.2703 20371.8903 5718.1572 182.8654 -334789.2374 21322.2410 0.0000 0.0000 44428.6272 -222472.1862 161.6191 -266900.8133 -222122.6311 161.6191 -3669.0641 -2719.7951 921491.4634 -3669.0641 -2719.7951
ENERGY: 209 19428.8171 20325.0058 5710.3389 180.5135 -335910.2411 21349.5044 0.0000 0.0000 46273.6803 -222642.3812 168.3309 -268916.0615 -222106.7897 168.3309 -5197.7274 -2836.6305 921491.4634 -5197.7274 -2836.6305
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1736 20194.2569 5705.3139 178.4614 -336615.7767 21385.1095 0.0000 0.0000 45251.4336 -222516.0278 164.6123 -267767.4614 -222108.2013 164.6123 -6091.3663 -2896.2626 921491.4634 -6091.3663 -2896.2626
ENERGY: 211 24099.1931 19985.8632 5704.9373 176.9105 -336667.8927 21415.1477 0.0000 0.0000 43031.7285 -222254.1125 156.5376 -265285.8410 -222106.8538 156.5376 -5900.2979 -2885.1009 921491.4634 -5900.2979 -2885.1009
ENERGY: 212 23739.2712 19730.8223 5710.0295 176.0352 -336013.6228 21412.5983 0.0000 0.0000 42995.1638 -222249.7025 156.4046 -265244.8663 -222104.2318 156.4046 -4424.1004 -2820.3211 921491.4634 -4424.1004 -2820.3211
ENERGY: 213 20150.2161 19524.5249 5720.1722 175.9508 -334874.6444 21380.5551 0.0000 0.0000 45418.7807 -222504.4446 165.2210 -267923.2253 -222097.3834 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
ENERGY: 214 17315.5528 19421.7449 5733.3059 176.6827 -333645.3936 21358.4485 0.0000 0.0000 46958.4704 -222681.1884 170.8220 -269639.6588 -222093.7406 170.8220 -143.6685 -2626.0579 921491.4634 -143.6685 -2626.0579
ENERGY: 215 18210.5055 19441.9743 5746.5772 178.1492 -332787.3321 21379.5596 0.0000 0.0000 45302.6747 -222527.8916 164.7987 -267830.5663 -222091.0446 164.7987 784.0016 -2554.0368 921491.4634 784.0016 -2554.0368
ENERGY: 216 20973.4717 19522.5061 5756.9571 180.1770 -332560.1060 21436.4835 0.0000 0.0000 42442.1789 -222248.3317 154.3930 -264690.5105 -222073.6155 154.3930 420.9904 -2541.5428 921491.4634 420.9904 -2541.5428
ENERGY: 217 21778.3867 19581.4819 5762.2416 182.5517 -333010.6757 21497.2705 0.0000 0.0000 41983.6752 -222225.0681 152.7251 -264208.7433 -222064.4463 152.7251 -882.1697 -2598.7243 921491.4634 -882.1697 -2598.7243
ENERGY: 218 20165.9157 19540.0890 5761.2415 184.9927 -333856.1147 21546.6561 0.0000 0.0000 44178.6838 -222478.5360 160.7099 -266657.2198 -222068.8154 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
ENERGY: 219 19429.8641 19413.3931 5754.3577 187.2447 -334778.0709 21596.8808 0.0000 0.0000 45751.9299 -222644.4006 166.4329 -268396.3306 -222073.1719 166.4329 -4457.7333 -2810.5237 921491.4634 -4457.7333 -2810.5237
TIMING: 220 CPU: 105.089, 0.47205/step Wall: 105.089, 0.47205/step, 0.036715 hours remaining, 3223.906250 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: 114.521, 0.471561/step Wall: 114.521, 0.471561/step, 0.0340572 hours remaining, 3223.906250 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: 243 19462.3620 19969.6445 5749.3614 168.8705 -335233.7067 21770.4748 0.0000 0.0000 45537.0693 -222575.9242 165.6513 -268112.9935 -222061.6671 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
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ENERGY: 246 20878.5481 19853.7024 5716.8932 174.1558 -334213.1205 21705.0850 0.0000 0.0000 43600.4184 -222284.3175 158.6063 -265884.7360 -222067.4293 158.6063 -1173.7928 -2523.3912 921491.4634 -1173.7928 -2523.3912
ENERGY: 247 19868.5286 19979.6440 5712.7400 177.5412 -334802.1842 21719.8454 0.0000 0.0000 44912.1915 -222431.6934 163.3782 -267343.8849 -222068.1391 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4925 20164.4297 5713.8450 181.3144 -335623.1354 21746.4311 0.0000 0.0000 46185.9365 -222595.6863 168.0117 -268781.6228 -222090.3125 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9042 20013.1599 5733.2541 193.8023 -336093.2677 21826.9295 0.0000 0.0000 43905.3722 -222425.8455 159.7157 -266331.2177 -222091.3303 159.7157 -3843.4682 -2758.0339 921491.4634 -3843.4682 -2758.0339
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ENERGY: 256 20899.4409 18950.9578 5693.4518 195.6570 -332975.5971 21757.6848 0.0000 0.0000 43181.1613 -222297.2436 157.0812 -265478.4049 -222071.2737 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
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TIMING: 260 CPU: 123.944, 0.471169/step Wall: 123.944, 0.471169/step, 0.0314113 hours remaining, 3224.210938 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 20140.5622 5703.8103 187.9445 -335614.9712 21924.4740 0.0000 0.0000 45349.7773 -222527.2801 164.9700 -267877.0575 -222051.1545 164.9700 -2647.8114 -2773.3903 921491.4634 -2647.8114 -2773.3903
ENERGY: 264 19385.2260 20436.4305 5710.6950 187.5052 -334855.9510 21907.7772 0.0000 0.0000 44751.4785 -222476.8385 162.7936 -267228.3171 -222069.1980 162.7936 -2191.1925 -2723.5293 921491.4634 -2191.1925 -2723.5293
ENERGY: 265 19946.8415 20681.9925 5713.6241 187.4392 -334395.6631 21906.0163 0.0000 0.0000 43607.6375 -222352.1117 158.6326 -265959.7493 -222054.3368 158.6326 -2038.0572 -2683.6034 921491.4634 -2038.0572 -2683.6034
ENERGY: 266 20048.7898 20788.8701 5712.1327 187.6137 -334399.4576 21914.4805 0.0000 0.0000 43399.3798 -222348.1909 157.8750 -265747.5707 -222054.3631 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0905 20691.2679 5707.0583 187.8501 -334831.4855 21930.8374 0.0000 0.0000 44220.2170 -222446.1643 160.8610 -266666.3813 -222055.6581 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9161 20375.7516 5700.1930 187.9286 -335513.7450 21959.1257 0.0000 0.0000 44823.5378 -222504.2922 163.0557 -267327.8300 -222075.9872 163.0557 -2903.2125 -2658.6180 921491.4634 -2903.2125 -2658.6180
ENERGY: 269 21396.7815 19927.1703 5694.0390 187.7640 -336221.0663 21997.2161 0.0000 0.0000 44586.5099 -222431.5856 162.1935 -267018.0955 -222066.1971 162.1935 -3401.4129 -2647.2949 921491.4634 -3401.4129 -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 22620.1935 19450.9168 5690.3173 187.1618 -336650.6776 22028.8071 0.0000 0.0000 44308.0075 -222365.2736 161.1804 -266673.2811 -222067.0432 161.1804 -3583.3634 -2617.7582 921491.4634 -3583.3634 -2617.7582
ENERGY: 271 22345.5824 19078.8065 5690.0209 186.1610 -336571.7893 22035.2501 0.0000 0.0000 44829.4474 -222406.5209 163.0772 -267235.9683 -222066.8384 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5584 18896.0661 5692.8269 184.9335 -335921.4612 22015.0580 0.0000 0.0000 45607.7078 -222503.3105 165.9083 -268111.0184 -222081.1567 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9079 5697.5118 183.8526 -334925.7009 21985.5296 0.0000 0.0000 45502.7163 -222499.9691 165.5264 -268002.6853 -222069.0454 165.5264 -1837.1974 -2434.6759 921491.4634 -1837.1974 -2434.6759
ENERGY: 274 20074.7417 19121.4861 5701.6806 183.0070 -333931.6254 21965.2977 0.0000 0.0000 44478.5176 -222406.8947 161.8006 -266885.4123 -222066.8024 161.8006 -1366.5211 -2384.6633 921491.4634 -1366.5211 -2384.6633
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ENERGY: 276 19401.8502 19594.7507 5701.2547 182.4904 -333292.1279 21971.0410 0.0000 0.0000 44028.5273 -222412.2136 160.1637 -266440.7409 -222072.9391 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2972 19724.7160 5695.5210 182.9396 -333864.3452 21997.2388 0.0000 0.0000 44632.8113 -222481.8214 162.3619 -267114.6327 -222061.0984 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4577 19713.7760 5686.9122 183.6585 -334821.1002 22041.3360 0.0000 0.0000 44532.2541 -222463.7058 161.9961 -266995.9598 -222063.4127 161.9961 -3254.8157 -2593.7696 921491.4634 -3254.8157 -2593.7696
ENERGY: 279 21984.3651 19593.9431 5677.5176 184.5187 -335888.5800 22096.4200 0.0000 0.0000 43975.0880 -222376.7275 159.9693 -266351.8155 -222065.2020 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 133.353, 0.470442/step Wall: 133.353, 0.470442/step, 0.0287492 hours remaining, 3224.210938 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 22859.3232 19458.4367 5670.0026 185.3899 -336752.6632 22145.1355 0.0000 0.0000 44066.7339 -222367.6415 160.3027 -266434.3753 -222073.4243 160.3027 -4286.3894 -2748.0546 921491.4634 -4286.3894 -2748.0546
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ENERGY: 282 20943.7899 19615.5379 5669.9796 186.8360 -336942.5034 22176.7655 0.0000 0.0000 45823.3371 -222526.2573 166.6927 -268349.5945 -222063.3311 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
ENERGY: 283 20432.1061 19966.6615 5678.8137 187.1634 -336251.9200 22171.0649 0.0000 0.0000 45328.8521 -222487.2582 164.8939 -267816.1103 -222060.8455 164.8939 -2008.7736 -2748.2306 921491.4634 -2008.7736 -2748.2306
ENERGY: 284 20506.4000 20401.8823 5692.0830 187.1346 -335412.6301 22166.2911 0.0000 0.0000 44071.4480 -222387.3912 160.3198 -266458.8392 -222061.5537 160.3198 -1267.2790 -2712.3902 921491.4634 -1267.2790 -2712.3902
ENERGY: 285 20203.3288 20789.9630 5707.3565 186.7145 -334827.1967 22167.0167 0.0000 0.0000 43418.2631 -222354.5542 157.9437 -265772.8173 -222053.5964 157.9437 -1010.8437 -2700.0820 921491.4634 -1010.8437 -2700.0820
ENERGY: 286 19396.6309 20966.5623 5721.5031 185.8229 -334658.1149 22176.6864 0.0000 0.0000 43785.6882 -222425.2210 159.2803 -266210.9092 -222054.0579 159.2803 -1306.7501 -2717.2847 921491.4634 -1306.7501 -2717.2847
ENERGY: 287 19176.1190 20856.7824 5731.9346 184.4714 -334918.1481 22200.2912 0.0000 0.0000 44282.9439 -222485.6056 161.0892 -266768.5495 -222055.7250 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2089 20475.2852 5736.9557 182.7335 -335468.3149 22237.9039 0.0000 0.0000 44116.9905 -222455.2373 160.4855 -266572.2277 -222066.9050 160.4855 -3310.5879 -2790.1553 921491.4634 -3310.5879 -2790.1553
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.669
LDB: Largest compute 200 load 0.527107 is 1.2% of average load 45.801102
LDB: Average compute 0.064173 is 0.1% of average load 45.801102
LDB: TIME 148.671 LOAD: AVG 45.8011 MAX 47.125 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.41 MB
LDB: TIME 148.672 LOAD: AVG 45.8011 MAX 47.125 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.41 MB
LDB: TIME 148.685 LOAD: AVG 45.8011 MAX 46.3172 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.41 MB
LDB: ============== END OF LOAD BALANCING =============== 148.686
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.687
Info: Initial time: 4 CPUs 0.470943 s/step 5.45073 days/ns 3224.41 MB memory
TIMING: 300 CPU: 142.761, 0.470407/step Wall: 142.761, 0.470407/step, 0.0261337 hours remaining, 3224.410156 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: 151.995, 0.461719/step Wall: 151.995, 0.461719/step, 0.0230859 hours remaining, 3224.410156 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: 161.226, 0.46153/step Wall: 161.226, 0.46153/step, 0.0205124 hours remaining, 3224.410156 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: 170.452, 0.461323/step Wall: 170.452, 0.461323/step, 0.0179403 hours remaining, 3224.410156 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: 179.671, 0.460913/step Wall: 179.671, 0.460913/step, 0.0153638 hours remaining, 3224.410156 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: 385 19327.8183 19356.8911 5707.7752 177.4354 -335210.6399 22871.6139 0.0000 0.0000 45299.7172 -222469.3888 164.7879 -267769.1060 -222051.0992 164.7879 215.3512 -2064.3638 921491.4634 215.3512 -2064.3638
ENERGY: 386 19981.2274 19220.9464 5707.6638 175.9384 -334865.1814 22880.7953 0.0000 0.0000 44519.8587 -222378.7514 161.9510 -266898.6101 -222051.0436 161.9510 122.6668 -2011.2429 921491.4634 122.6668 -2011.2429
ENERGY: 387 20367.2860 19202.4844 5710.9354 174.6759 -335109.8721 22905.2739 0.0000 0.0000 44377.1817 -222372.0348 161.4320 -266749.2165 -222053.0048 161.4320 -738.9585 -2019.1690 921491.4634 -738.9585 -2019.1690
ENERGY: 388 20282.3986 19280.0167 5717.2934 173.7038 -335824.1512 22938.2895 0.0000 0.0000 44972.7762 -222459.6729 163.5986 -267432.4491 -222067.4815 163.5986 -2063.8553 -2076.2822 921491.4634 -2063.8553 -2076.2822
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 398 19692.8114 20133.3593 5716.9814 176.0456 -336812.3373 23014.0579 0.0000 0.0000 45592.7325 -222486.3492 165.8538 -268079.0817 -222045.7218 165.8538 -1710.2237 -2443.6967 921491.4634 -1710.2237 -2443.6967
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LDB: ============= START OF LOAD BALANCING ============== 194.819
LDB: Largest compute 230 load 0.525327 is 1.1% of average load 45.744415
LDB: Average compute 0.064060 is 0.1% of average load 45.744415
LDB: TIME 194.821 LOAD: AVG 45.7444 MAX 46.1316 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.41 MB
LDB: TIME 194.821 LOAD: AVG 45.7444 MAX 46.1316 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.41 MB
LDB: TIME 194.821 LOAD: AVG 45.7444 MAX 46.1316 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.41 MB
LDB: ============== END OF LOAD BALANCING =============== 194.822
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.823
Info: Benchmark time: 4 CPUs 0.461254 s/step 5.33859 days/ns 3224.41 MB memory
TIMING: 400 CPU: 188.89, 0.460984/step Wall: 188.89, 0.460984/step, 0.0128051 hours remaining, 3224.410156 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: 408 19735.8469 19387.6643 5692.2152 187.5226 -335902.8211 23017.8168 0.0000 0.0000 45394.4124 -222487.3429 165.1324 -267881.7553 -222063.5309 165.1324 -920.8281 -2294.1558 921491.4634 -920.8281 -2294.1558
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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 20661.9897 5710.0857 195.6954 -336157.5861 23063.1713 0.0000 0.0000 44200.2853 -222384.0417 160.7885 -266584.3270 -222052.9640 160.7885 -282.7613 -2224.6898 921491.4634 -282.7613 -2224.6898
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ENERGY: 418 20154.6648 20457.0910 5705.5848 188.6536 -336970.7868 23098.6725 0.0000 0.0000 44915.1426 -222450.9775 163.3889 -267366.1201 -222046.7089 163.3889 -671.8545 -2269.9922 921491.4634 -671.8545 -2269.9922
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TIMING: 420 CPU: 198.084, 0.459689/step Wall: 198.084, 0.459689/step, 0.0102153 hours remaining, 3224.410156 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 19760.4172 5710.4629 168.5259 -336199.9852 23087.7678 0.0000 0.0000 44884.2595 -222448.1292 163.2766 -267332.3887 -222058.0544 163.2766 -935.5729 -2206.9583 921491.4634 -935.5729 -2206.9583
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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: 432 21768.3705 20188.6725 5710.3547 168.1086 -338651.2101 23176.0846 0.0000 0.0000 45177.9910 -222461.6282 164.3451 -267639.6192 -222065.9055 164.3451 -3350.2742 -2296.1496 921491.4634 -3350.2742 -2296.1496
ENERGY: 433 21200.9074 20275.9664 5710.3763 168.4633 -338164.0636 23162.2910 0.0000 0.0000 45192.9283 -222453.1308 164.3995 -267646.0591 -222052.5979 164.3995 -3187.3733 -2272.1275 921491.4634 -3187.3733 -2272.1275
ENERGY: 434 20730.3414 20338.1499 5711.6061 169.3247 -337394.2701 23140.7735 0.0000 0.0000 44883.0996 -222420.9748 163.2724 -267304.0745 -222051.1459 163.2724 -2694.3108 -2227.7884 921491.4634 -2694.3108 -2227.7884
ENERGY: 435 20235.2202 20362.4015 5714.0003 170.8455 -336680.6551 23123.4097 0.0000 0.0000 44675.9839 -222398.7941 162.5190 -267074.7780 -222049.5886 162.5190 -2061.3582 -2179.8950 921491.4634 -2061.3582 -2179.8950
ENERGY: 436 19670.9242 20349.9981 5717.2346 173.0864 -336303.8808 23119.9077 0.0000 0.0000 44847.0985 -222425.6314 163.1414 -267272.7299 -222059.6956 163.1414 -1520.6597 -2145.1617 921491.4634 -1520.6597 -2145.1617
ENERGY: 437 19434.5515 20329.5092 5720.9894 175.9827 -336411.9782 23136.3867 0.0000 0.0000 45159.2690 -222455.2898 164.2770 -267614.5588 -222050.7500 164.2770 -1319.1168 -2134.4848 921491.4634 -1319.1168 -2134.4848
ENERGY: 438 19935.1532 20278.6096 5724.6884 179.3848 -336899.4575 23173.5518 0.0000 0.0000 45148.1327 -222459.9371 164.2365 -267608.0697 -222051.5665 164.2365 -1493.0940 -2145.0881 921491.4634 -1493.0940 -2145.0881
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TIMING: 440 CPU: 207.268, 0.459198/step Wall: 207.268, 0.459198/step, 0.0076533 hours remaining, 3224.410156 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 22071.5686 20036.2372 5729.7527 186.7201 -338123.1812 23276.2484 0.0000 0.0000 44417.5462 -222405.1079 161.5788 -266822.6541 -222059.4773 161.5788 -2408.4614 -2197.9673 921491.4634 -2408.4614 -2197.9673
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ENERGY: 442 21853.6120 19664.5351 5729.4855 192.9411 -338090.1539 23327.1566 0.0000 0.0000 44880.6322 -222441.7914 163.2634 -267322.4236 -222049.7755 163.2634 -2710.5580 -2229.0698 921491.4634 -2710.5580 -2229.0698
ENERGY: 443 21064.3318 19487.0725 5727.6165 194.9329 -337369.3155 23320.0156 0.0000 0.0000 45118.1108 -222457.2354 164.1273 -267575.3462 -222048.5996 164.1273 -2448.1652 -2220.3533 921491.4634 -2448.1652 -2220.3533
ENERGY: 444 20449.3365 19357.2692 5725.4095 195.8734 -336464.1924 23301.5274 0.0000 0.0000 44987.7176 -222447.0586 163.6530 -267434.7762 -222057.9796 163.6530 -2090.2101 -2206.4400 921491.4634 -2090.2101 -2206.4400
ENERGY: 445 20125.5608 19307.2519 5723.6513 195.6942 -335759.3913 23283.8137 0.0000 0.0000 44708.7153 -222414.7040 162.6380 -267123.4193 -222046.5427 162.6380 -1846.9627 -2201.6926 921491.4634 -1846.9627 -2201.6926
ENERGY: 446 19947.6803 19324.9007 5722.5430 194.3235 -335494.5705 23276.0450 0.0000 0.0000 44620.2943 -222408.7838 162.3164 -267029.0780 -222046.1619 162.3164 -1800.7518 -2216.7294 921491.4634 -1800.7518 -2216.7294
ENERGY: 447 19914.2846 19416.0210 5722.2107 191.8641 -335769.4394 23282.7457 0.0000 0.0000 44816.5084 -222425.8049 163.0301 -267242.3133 -222046.8341 163.0301 -1993.3111 -2253.0603 921491.4634 -1993.3111 -2253.0603
ENERGY: 448 20187.5920 19583.6799 5722.5765 188.5554 -336503.1792 23303.8903 0.0000 0.0000 45065.6668 -222451.2182 163.9365 -267516.8851 -222059.3478 163.9365 -2372.1877 -2303.7898 921491.4634 -2372.1877 -2303.7898
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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 20108.1298 5724.4776 181.0898 -338419.3239 23364.6242 0.0000 0.0000 44854.3087 -222432.2084 163.1676 -267286.5171 -222048.7858 163.1676 -3116.6756 -2394.3896 921491.4634 -3116.6756 -2394.3896
ENERGY: 451 22355.5902 20357.7254 5724.7144 177.6517 -338952.0898 23381.8007 0.0000 0.0000 44542.6977 -222411.9098 162.0341 -266954.6075 -222048.8243 162.0341 -3074.2533 -2405.7797 921491.4634 -3074.2533 -2405.7797
ENERGY: 452 22246.2015 20536.0133 5723.8954 174.8859 -338927.1528 23378.0943 0.0000 0.0000 44452.9186 -222415.1438 161.7075 -266868.0625 -222059.6369 161.7075 -2659.9607 -2384.7568 921491.4634 -2659.9607 -2384.7568
ENERGY: 453 21399.8727 20641.1310 5722.2879 173.1350 -338392.7925 23354.5907 0.0000 0.0000 44683.7023 -222418.0729 162.5470 -267101.7752 -222043.5370 162.5470 -2048.3340 -2342.4668 921491.4634 -2048.3340 -2342.4668
ENERGY: 454 20248.3381 20654.1374 5720.2218 172.3637 -337567.1406 23320.6901 0.0000 0.0000 45008.1455 -222443.2440 163.7273 -267451.3895 -222041.8390 163.7273 -1453.4580 -2293.1450 921491.4634 -1453.4580 -2293.1450
ENERGY: 455 19486.7906 20584.7120 5718.4844 172.5169 -336790.6444 23290.4023 0.0000 0.0000 45086.5780 -222451.1602 164.0126 -267537.7381 -222040.8569 164.0126 -1151.8824 -2255.8571 921491.4634 -1151.8824 -2255.8571
ENERGY: 456 19493.3720 20440.6800 5717.7556 173.4248 -336350.1066 23274.9631 0.0000 0.0000 44811.4719 -222438.4391 163.0118 -267249.9110 -222055.3481 163.0118 -1305.5002 -2245.5822 921491.4634 -1305.5002 -2245.5822
ENERGY: 457 20047.4928 20251.9435 5718.5580 174.9241 -336395.8156 23277.8274 0.0000 0.0000 44521.8701 -222403.1998 161.9583 -266925.0698 -222049.4128 161.9583 -1906.4163 -2263.5012 921491.4634 -1906.4163 -2263.5012
ENERGY: 458 20585.8435 20019.2723 5720.7061 176.6081 -336835.0952 23294.7172 0.0000 0.0000 44632.7886 -222405.1594 162.3618 -267037.9480 -222051.2817 162.3618 -2684.6986 -2301.0427 921491.4634 -2684.6986 -2301.0427
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TIMING: 460 CPU: 216.439, 0.45855/step Wall: 216.439, 0.45855/step, 0.005095 hours remaining, 3224.410156 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: 462 22264.2257 19487.8111 5736.4823 180.9531 -337988.7167 23351.1082 0.0000 0.0000 44559.9294 -222408.2070 162.0968 -266968.1363 -222056.7209 162.0968 -2954.8203 -2323.4252 921491.4634 -2954.8203 -2323.4252
ENERGY: 463 21821.1794 19513.9018 5738.9361 181.1160 -337284.1025 23326.9473 0.0000 0.0000 44313.4572 -222388.5647 161.2002 -266702.0220 -222054.6237 161.2002 -2012.4427 -2264.0779 921491.4634 -2012.4427 -2264.0779
ENERGY: 464 20535.2462 19559.9275 5739.2518 181.0096 -336389.3837 23291.1937 0.0000 0.0000 44654.0268 -222428.7281 162.4391 -267082.7549 -222058.5725 162.4391 -1050.9229 -2205.5269 921491.4634 -1050.9229 -2205.5269
ENERGY: 465 19322.7828 19631.8856 5737.2899 180.7155 -335701.1529 23259.7386 0.0000 0.0000 45094.5690 -222474.1716 164.0416 -267568.7406 -222052.9384 164.0416 -512.3347 -2174.4009 921491.4634 -512.3347 -2174.4009
ENERGY: 466 19088.4510 19708.3583 5733.2107 180.2808 -335443.7719 23245.0598 0.0000 0.0000 45020.7911 -222467.6203 163.7733 -267488.4114 -222052.9782 163.7733 -630.3314 -2182.6711 921491.4634 -630.3314 -2182.6711
ENERGY: 467 19841.8070 19783.1743 5727.6704 179.7757 -335721.0944 23249.4523 0.0000 0.0000 44523.6668 -222415.5479 161.9649 -266939.2147 -222054.3491 161.9649 -1393.6029 -2232.5925 921491.4634 -1393.6029 -2232.5925
ENERGY: 468 20761.8483 19845.4942 5721.5089 179.2779 -336451.5659 23265.8118 0.0000 0.0000 44291.6587 -222385.9660 161.1209 -266677.6247 -222056.3587 161.1209 -2508.6715 -2314.1342 921491.4634 -2508.6715 -2314.1342
ENERGY: 469 21236.3018 19910.2021 5715.6824 178.8504 -337458.3194 23284.3954 0.0000 0.0000 44720.3204 -222412.5669 162.6802 -267132.8873 -222046.0747 162.6802 -3596.7408 -2405.7975 921491.4634 -3596.7408 -2405.7975
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 19972.8934 5710.9491 178.5947 -338383.2499 23297.0665 0.0000 0.0000 45346.4576 -222466.1153 164.9579 -267812.5729 -222047.6085 164.9579 -4259.6999 -2477.6834 921491.4634 -4259.6999 -2477.6834
ENERGY: 471 21732.8680 20054.6834 5707.9626 178.5890 -338913.2443 23297.5077 0.0000 0.0000 45471.3368 -222470.2967 165.4122 -267941.6335 -222047.5356 165.4122 -4290.5687 -2504.3178 921491.4634 -4290.5687 -2504.3178
ENERGY: 472 22081.2363 20161.5550 5707.0091 178.9047 -338870.6756 23279.4483 0.0000 0.0000 45028.5296 -222433.9925 163.8014 -267462.5222 -222059.5054 163.8014 -3659.7364 -2479.9186 921491.4634 -3659.7364 -2479.9186
ENERGY: 473 21866.1364 20289.3424 5707.9843 179.6165 -338307.7178 23240.7355 0.0000 0.0000 44634.5172 -222389.3855 162.3681 -267023.9028 -222043.8536 162.3681 -2556.3619 -2408.1659 921491.4634 -2556.3619 -2408.1659
ENERGY: 474 20842.9704 20372.0983 5710.2161 180.7466 -337438.4537 23189.2340 0.0000 0.0000 44733.2306 -222409.9578 162.7272 -267143.1884 -222041.2616 162.7272 -1295.5527 -2316.2730 921491.4634 -1295.5527 -2316.2730
ENERGY: 475 19674.2079 20371.7670 5712.9876 182.2512 -336604.2297 23142.3810 0.0000 0.0000 45070.2138 -222450.4213 163.9531 -267520.6351 -222039.4526 163.9531 -344.6450 -2232.2127 921491.4634 -344.6450 -2232.2127
ENERGY: 476 19235.7860 20282.0270 5715.7683 184.0125 -336100.0890 23115.8459 0.0000 0.0000 45106.0633 -222460.5859 164.0835 -267566.6492 -222053.6136 164.0835 -92.4050 -2183.0655 921491.4634 -92.4050 -2183.0655
ENERGY: 477 19704.7250 20145.9809 5718.4976 185.9230 -336101.8777 23114.2932 0.0000 0.0000 44812.3207 -222420.1373 163.0149 -267232.4580 -222044.8409 163.0149 -667.4947 -2171.8231 921491.4634 -667.4947 -2171.8231
ENERGY: 478 20493.4777 19974.7635 5721.0254 187.7262 -336537.4025 23131.2452 0.0000 0.0000 44627.0331 -222402.1313 162.3409 -267029.1644 -222047.4105 162.3409 -1807.1606 -2198.7958 921491.4634 -1807.1606 -2198.7958
ENERGY: 479 21125.3059 19793.3954 5723.3295 189.2099 -337215.5829 23156.6764 0.0000 0.0000 44802.1576 -222425.5081 162.9779 -267227.6657 -222050.5458 162.9779 -3089.8518 -2246.7920 921491.4634 -3089.8518 -2246.7920
TIMING: 480 CPU: 225.612, 0.458638/step Wall: 225.612, 0.458638/step, 0.00254799 hours remaining, 3224.410156 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0329 19623.1964 5725.3111 190.1901 -337854.6774 23181.5110 0.0000 0.0000 45051.6814 -222458.7545 163.8856 -267510.4359 -222064.6205 163.8856 -4077.7328 -2291.4893 921491.4634 -4077.7328 -2291.4893
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ENERGY: 482 22186.3470 19466.6796 5728.4964 190.3598 -338044.5409 23192.7467 0.0000 0.0000 44865.8519 -222414.0595 163.2096 -267279.9115 -222051.4107 163.2096 -4059.3101 -2278.0617 921491.4634 -4059.3101 -2278.0617
ENERGY: 483 21553.1415 19511.5747 5729.5661 189.3227 -337426.2176 23165.8733 0.0000 0.0000 44861.8970 -222414.8424 163.1953 -267276.7394 -222048.7667 163.1953 -2964.1725 -2216.4118 921491.4634 -2964.1725 -2216.4118
ENERGY: 484 20460.8926 19631.1941 5730.2465 187.5455 -336590.8877 23126.1344 0.0000 0.0000 45003.6034 -222451.2712 163.7107 -267454.8746 -222059.8737 163.7107 -1565.2427 -2143.1852 921491.4634 -1565.2427 -2143.1852
ENERGY: 485 19688.7720 19800.2993 5730.5256 185.2458 -335902.5860 23092.8464 0.0000 0.0000 44955.5729 -222449.3241 163.5360 -267404.8970 -222045.9601 163.5360 -422.1571 -2086.8738 921491.4634 -422.1571 -2086.8738
ENERGY: 486 19602.5426 19954.8177 5729.7198 182.4662 -335612.3563 23080.3801 0.0000 0.0000 44645.9122 -222416.5177 162.4096 -267062.4298 -222044.6755 162.4096 87.3179 -2070.0984 921491.4634 87.3179 -2070.0984
ENERGY: 487 19881.0926 20072.0214 5727.4348 179.4360 -335846.4479 23091.0538 0.0000 0.0000 44503.3499 -222392.0594 161.8910 -266895.4093 -222045.2402 161.8910 -192.2348 -2106.8843 921491.4634 -192.2348 -2106.8843
ENERGY: 488 20125.2100 20156.1362 5723.5441 176.4338 -336552.5453 23118.8611 0.0000 0.0000 44827.0563 -222425.3039 163.0685 -267252.3601 -222057.1936 163.0685 -1145.7537 -2194.6683 921491.4634 -1145.7537 -2194.6683
ENERGY: 489 20526.8874 20236.4610 5718.5749 173.8639 -337540.4658 23156.7305 0.0000 0.0000 45266.1011 -222461.8471 164.6656 -267727.9481 -222045.6083 164.6656 -2511.2408 -2316.7070 921491.4634 -2511.2408 -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 21410.7492 20292.9023 5712.8912 171.8438 -338458.1364 23196.4873 0.0000 0.0000 45213.5635 -222459.6991 164.4745 -267673.2626 -222048.2205 164.4745 -3823.4042 -2437.4158 921491.4634 -3823.4042 -2437.4158
ENERGY: 491 22430.4643 20312.1361 5707.3795 170.5404 -338984.5796 23226.0933 0.0000 0.0000 44733.0094 -222404.9566 162.7264 -267137.9660 -222049.4636 162.7264 -4629.6938 -2524.6218 921491.4634 -4629.6938 -2524.6218
ENERGY: 492 22612.9550 20289.6811 5702.9944 170.0208 -338937.5818 23232.7202 0.0000 0.0000 44542.1954 -222387.0149 162.0323 -266929.2103 -222060.3859 162.0323 -4606.8528 -2557.4732 921491.4634 -4606.8528 -2557.4732
ENERGY: 493 21558.2189 20260.7374 5700.7779 170.3201 -338358.0633 23214.0534 0.0000 0.0000 45033.8232 -222420.1324 163.8207 -267453.9557 -222046.5899 163.8207 -3796.3822 -2540.0998 921491.4634 -3796.3822 -2540.0998
ENERGY: 494 20068.3365 20225.0260 5700.9806 171.2193 -337454.3832 23183.0793 0.0000 0.0000 45622.2477 -222483.4938 165.9612 -268105.7415 -222044.0866 165.9612 -2500.8995 -2482.1070 921491.4634 -2500.8995 -2482.1070
ENERGY: 495 19383.2461 20186.8300 5703.5926 172.5416 -336566.9881 23159.4624 0.0000 0.0000 45484.1231 -222477.1924 165.4587 -267961.3155 -222041.5562 165.4587 -1249.6838 -2407.3057 921491.4634 -1249.6838 -2407.3057
ENERGY: 496 19722.4832 20130.6472 5708.0350 174.0933 -335998.7147 23154.2635 0.0000 0.0000 44699.5268 -222409.6656 162.6046 -267109.1924 -222049.0666 162.6046 -478.8997 -2343.4751 921491.4634 -478.8997 -2343.4751
ENERGY: 497 20212.6668 20059.9176 5713.4613 175.7242 -335952.5033 23166.3546 0.0000 0.0000 44261.0282 -222363.3507 161.0095 -266624.3789 -222042.7497 161.0095 -421.0230 -2316.7928 921491.4634 -421.0230 -2316.7928
ENERGY: 498 20182.0165 19957.1216 5718.5597 177.2604 -336366.4923 23189.3586 0.0000 0.0000 44728.2526 -222413.9230 162.7091 -267142.1756 -222044.5216 162.7091 -993.4677 -2331.6472 921491.4634 -993.4677 -2331.6472
ENERGY: 499 20158.0679 19847.7309 5722.4090 178.6361 -337058.4814 23219.2405 0.0000 0.0000 45439.2634 -222493.1336 165.2956 -267932.3970 -222047.2059 165.2956 -2020.8686 -2376.3389 921491.4634 -2020.8686 -2376.3389
Info: Benchmark time: 4 CPUs 0.458221 s/step 5.30348 days/ns 3224.41 MB memory
TIMING: 500 CPU: 234.713, 0.455036/step Wall: 234.713, 0.455036/step, 0 hours remaining, 3224.410156 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 19756.6585 5724.4523 179.8271 -337741.4183 23251.1010 0.0000 0.0000 45359.0767 -222495.4089 165.0039 -267854.4855 -222061.0907 165.0039 -3197.5167 -2425.4141 921491.4634 -3197.5167 -2425.4141
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, 3229.859 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.859 MB of memory in use
====================================================
WallClock: 241.530869 CPUTime: 241.530869 Memory: 3229.859375 MB
[Partition 0][Node 0] End of program
Application 1111887 resources: utime ~949s, stime ~18s, Rss ~127284, inblocks ~66547, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.530869
CPU=241.530869
MEM=3229.859375
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 20 18:41 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 20 18:41 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 20 18:41 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 20 18:41 status
-rwxr-xr-x 1 bwjenkins BW_System 189497 Dec 20 18:41 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 20 18:36 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 20 18:36 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 20 18:25 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 20 18:13 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 20 18:13 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 20 18:13 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 20 18:11 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 20 18:11 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 20 18:11 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 20 18:11 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 20 18:11 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/jenkins15859751541366550350.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}
