Skipping 223 KB..
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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 -335712.1130 22705.2746 0.0000 0.0000 42377.6759 -222345.4870 154.1583 -264723.1628 -222389.2092 154.1583 -2670.9832 -2080.5818 921491.4634 -2670.9832 -2080.5818
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LDB: ============= START OF LOAD BALANCING ============== 54.3887
LDB: Largest compute 200 load 0.429889 is 1.2% of average load 36.845664
LDB: Average compute 0.051621 is 0.1% of average load 36.845664
LDB: Partitioning computes with target load 3.684566
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.056017
LDB: ============== END OF LOAD BALANCING =============== 54.3909
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.3917
Info: Initial time: 4 CPUs 0.474909 s/step 5.49663 days/ns 3221.53 MB memory
TIMING: 100 CPU: 48.4652, 0.474009/step Wall: 48.4652, 0.474009/step, 0.0526677 hours remaining, 3221.527344 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 ============== 63.8514
LDB: ============== END OF LOAD BALANCING =============== 63.8514
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.8519
TIMING: 120 CPU: 57.9225, 0.472863/step Wall: 57.9225, 0.472863/step, 0.0499133 hours remaining, 3221.679688 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 18898.7760 5736.4508 185.0194 -334776.0136 21118.0422 0.0000 0.0000 44811.1497 -222472.9667 163.0106 -267284.1164 -222216.5365 163.0106 -5536.0554 -2842.3154 921491.4634 -5536.0554 -2842.3154
ENERGY: 131 21530.9956 19804.6627 5745.0872 187.0957 -335083.2643 21105.7069 0.0000 0.0000 44221.5103 -222488.2060 160.8657 -266709.7163 -222215.1805 160.8657 -5164.7863 -2872.9597 921491.4634 -5164.7863 -2872.9597
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ENERGY: 133 21569.7010 21939.4306 5759.4053 191.1377 -334187.7140 21049.8506 0.0000 0.0000 41346.5716 -222331.6173 150.4075 -263678.1888 -222209.0243 150.4075 -2436.6193 -2806.2333 921491.4634 -2436.6193 -2806.2333
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ENERGY: 136 18381.4540 21453.0793 5750.0867 193.4037 -332655.7489 21006.3295 0.0000 0.0000 43348.3541 -222523.0417 157.6894 -265871.3958 -222211.0693 157.6894 198.1850 -2776.3543 921491.4634 198.1850 -2776.3543
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ENERGY: 138 21874.8524 19195.4803 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8378 -222213.1815 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.3773, 0.47274/step Wall: 67.3773, 0.47274/step, 0.047274 hours remaining, 3221.863281 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 20992.5976 17997.1578 5722.1741 192.2140 -333726.9441 21127.4061 0.0000 0.0000 45144.2513 -222551.1433 164.2224 -267695.3946 -222224.0361 164.2224 -5617.7626 -3080.3638 921491.4634 -5617.7626 -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 21015.8992 19956.3835 5767.3089 192.0924 -334899.3753 20845.5771 0.0000 0.0000 44606.5897 -222515.5245 162.2665 -267122.1142 -222153.2666 162.2665 -4472.9373 -2881.9211 921491.4634 -4472.9373 -2881.9211
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ENERGY: 152 21757.0223 21203.4203 5761.8055 186.4838 -335072.1089 20820.7501 0.0000 0.0000 42914.6705 -222427.9564 156.1118 -265342.6269 -222175.0516 156.1118 -5552.0271 -2878.0875 921491.4634 -5552.0271 -2878.0875
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TIMING: 160 CPU: 76.8179, 0.472028/step Wall: 76.8179, 0.472028/step, 0.0445804 hours remaining, 3221.996094 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: 162 22512.8125 18508.1492 5697.2826 183.0024 -333202.6498 20887.8857 0.0000 0.0000 43070.6067 -222342.9106 156.6790 -265413.5173 -222161.4908 156.6790 -5004.1554 -2859.8870 921491.4634 -5004.1554 -2859.8870
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ENERGY: 168 21619.4180 19999.6889 5775.3367 206.4584 -333382.4926 20963.4338 0.0000 0.0000 42492.3351 -222325.8217 154.5754 -264818.1568 -222149.7708 154.5754 -1735.9904 -2933.5976 921491.4634 -1735.9904 -2933.5976
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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 -332975.2975 21015.2133 0.0000 0.0000 43101.1545 -222314.9824 156.7902 -265416.1369 -222126.1321 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
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TIMING: 180 CPU: 86.2441, 0.471313/step Wall: 86.2441, 0.471313/step, 0.0418945 hours remaining, 3222.152344 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 -332240.0938 21043.7459 0.0000 0.0000 44391.5888 -222435.3690 161.4844 -266826.9578 -222129.2887 161.4844 -2596.4733 -2731.4264 921491.4634 -2596.4733 -2731.4264
ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1127 21076.9265 0.0000 0.0000 42449.0057 -222222.0800 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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ENERGY: 197 21700.3670 19122.7579 5714.1451 184.7200 -332668.2730 21129.4588 0.0000 0.0000 42574.3654 -222242.4588 154.8738 -264816.8243 -222086.7181 154.8738 -3040.7437 -2596.5494 921491.4634 -3040.7437 -2596.5494
ENERGY: 198 21224.0059 18800.3005 5711.3574 186.3640 -333385.4996 21161.1533 0.0000 0.0000 43911.2863 -222391.0321 159.7372 -266302.3185 -222090.4393 159.7372 -4381.6807 -2646.7679 921491.4634 -4381.6807 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.606
LDB: Largest compute 200 load 0.424830 is 1.2% of average load 36.658640
LDB: Average compute 0.051355 is 0.1% of average load 36.658640
LDB: TIME 101.608 LOAD: AVG 36.6586 MAX 37.7538 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.44 MB
LDB: TIME 101.61 LOAD: AVG 36.6586 MAX 37.6156 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.44 MB
LDB: ============== END OF LOAD BALANCING =============== 101.612
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.615
Info: Initial time: 4 CPUs 0.472071 s/step 5.46379 days/ns 3223.17 MB memory
TIMING: 200 CPU: 95.6822, 0.471903/step Wall: 95.6822, 0.471903/step, 0.0393253 hours remaining, 3223.167969 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 23622.8116 18850.8450 5722.5980 192.1474 -334305.3005 21243.2752 0.0000 0.0000 42432.5588 -222241.0646 154.3580 -264673.6234 -222096.8290 154.3580 -3005.0518 -2588.0013 921491.4634 -3005.0518 -2588.0013
ENERGY: 203 20743.8946 19130.0390 5729.2400 192.0764 -333501.9373 21215.8254 0.0000 0.0000 44059.6986 -222431.1633 160.2771 -266490.8619 -222093.6426 160.2771 -1046.8258 -2512.4434 921491.4634 -1046.8258 -2512.4434
ENERGY: 204 17862.6126 19486.9556 5734.1463 191.2124 -332722.2202 21188.8403 0.0000 0.0000 45629.4719 -222628.9810 165.9875 -268258.4529 -222116.7003 165.9875 452.9931 -2462.2929 921491.4634 452.9931 -2462.2929
ENERGY: 205 18189.0793 19868.9414 5735.7153 189.6741 -332398.2554 21197.9186 0.0000 0.0000 44690.7149 -222526.2118 162.5725 -267216.9267 -222099.8062 162.5725 731.8533 -2447.6353 921491.4634 731.8533 -2447.6353
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ENERGY: 207 21693.8032 20338.2890 5726.5434 185.3060 -333603.9793 21289.9001 0.0000 0.0000 42143.6915 -222226.4460 153.3072 -264370.1375 -222103.0933 153.3072 -1896.3478 -2585.9683 921491.4634 -1896.3478 -2585.9683
ENERGY: 208 20293.2702 20371.8903 5718.1572 182.8654 -334789.2378 21322.2410 0.0000 0.0000 44428.6271 -222472.1866 161.6191 -266900.8136 -222122.6314 161.6191 -3669.0641 -2719.7952 921491.4634 -3669.0641 -2719.7952
ENERGY: 209 19428.8170 20325.0058 5710.3389 180.5135 -335910.2413 21349.5044 0.0000 0.0000 46273.6801 -222642.3815 168.3309 -268916.0617 -222106.7900 168.3309 -5197.7272 -2836.6306 921491.4634 -5197.7272 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1733 20194.2569 5705.3139 178.4614 -336615.7768 21385.1096 0.0000 0.0000 45251.4335 -222516.0282 164.6123 -267767.4616 -222108.2016 164.6123 -6091.3661 -2896.2627 921491.4634 -6091.3661 -2896.2627
ENERGY: 211 24099.1927 19985.8632 5704.9373 176.9105 -336667.8927 21415.1477 0.0000 0.0000 43031.7285 -222254.1128 156.5376 -265285.8414 -222106.8541 156.5376 -5900.2976 -2885.1010 921491.4634 -5900.2976 -2885.1010
ENERGY: 212 23739.2709 19730.8222 5710.0295 176.0352 -336013.6227 21412.5983 0.0000 0.0000 42995.1638 -222249.7026 156.4046 -265244.8664 -222104.2318 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2161 19524.5249 5720.1722 175.9508 -334874.6444 21380.5553 0.0000 0.0000 45418.7805 -222504.4447 165.2210 -267923.2252 -222097.3834 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
ENERGY: 214 17315.5531 19421.7448 5733.3059 176.6827 -333645.3938 21358.4486 0.0000 0.0000 46958.4702 -222681.1885 170.8220 -269639.6586 -222093.7407 170.8220 -143.6687 -2626.0578 921491.4634 -143.6687 -2626.0578
ENERGY: 215 18210.5057 19441.9743 5746.5772 178.1492 -332787.3324 21379.5597 0.0000 0.0000 45302.6745 -222527.8916 164.7987 -267830.5662 -222091.0447 164.7987 784.0013 -2554.0368 921491.4634 784.0013 -2554.0368
ENERGY: 216 20973.4718 19522.5061 5756.9571 180.1770 -332560.1064 21436.4837 0.0000 0.0000 42442.1788 -222248.3320 154.3930 -264690.5107 -222073.6157 154.3930 420.9900 -2541.5428 921491.4634 420.9900 -2541.5428
ENERGY: 217 21778.3867 19581.4819 5762.2416 182.5517 -333010.6760 21497.2706 0.0000 0.0000 41983.6750 -222225.0684 152.7251 -264208.7434 -222064.4466 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9157 19540.0890 5761.2415 184.9927 -333856.1148 21546.6562 0.0000 0.0000 44178.6835 -222478.5362 160.7099 -266657.2197 -222068.8156 160.7099 -2628.0651 -2703.9746 921491.4634 -2628.0651 -2703.9746
ENERGY: 219 19429.8639 19413.3931 5754.3577 187.2447 -334778.0709 21596.8809 0.0000 0.0000 45751.9296 -222644.4009 166.4329 -268396.3305 -222073.1721 166.4329 -4457.7331 -2810.5237 921491.4634 -4457.7331 -2810.5237
TIMING: 220 CPU: 105.122, 0.472009/step Wall: 105.122, 0.472009/step, 0.0367118 hours remaining, 3223.167969 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: 114.559, 0.471822/step Wall: 114.559, 0.471822/step, 0.034076 hours remaining, 3223.167969 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 19462.3622 19969.6446 5749.3614 168.8705 -335233.7069 21770.4749 0.0000 0.0000 45537.0689 -222575.9244 165.6513 -268112.9933 -222061.6672 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
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ENERGY: 246 20878.5482 19853.7024 5716.8932 174.1558 -334213.1208 21705.0852 0.0000 0.0000 43600.4183 -222284.3178 158.6063 -265884.7361 -222067.4296 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
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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: 260 CPU: 123.988, 0.471453/step Wall: 123.988, 0.471453/step, 0.0314302 hours remaining, 3223.472656 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 19781.1230 20140.5623 5703.8103 187.9445 -335614.9714 21924.4741 0.0000 0.0000 45349.7770 -222527.2804 164.9700 -267877.0573 -222051.1547 164.9700 -2647.8116 -2773.3903 921491.4634 -2647.8116 -2773.3903
ENERGY: 264 19385.2261 20436.4305 5710.6950 187.5052 -334855.9514 21907.7773 0.0000 0.0000 44751.4784 -222476.8389 162.7936 -267228.3173 -222069.1983 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
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ENERGY: 266 20048.7899 20788.8700 5712.1327 187.6137 -334399.4580 21914.4806 0.0000 0.0000 43399.3797 -222348.1912 157.8750 -265747.5710 -222054.3635 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0907 20691.2678 5707.0583 187.8501 -334831.4857 21930.8375 0.0000 0.0000 44220.2168 -222446.1646 160.8610 -266666.3813 -222055.6585 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9161 20375.7516 5700.1930 187.9286 -335513.7451 21959.1258 0.0000 0.0000 44823.5376 -222504.2925 163.0557 -267327.8301 -222075.9876 163.0557 -2903.2124 -2658.6181 921491.4634 -2903.2124 -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 22620.1931 19450.9167 5690.3173 187.1618 -336650.6776 22028.8071 0.0000 0.0000 44308.0077 -222365.2739 161.1804 -266673.2816 -222067.0435 161.1804 -3583.3632 -2617.7583 921491.4634 -3583.3632 -2617.7583
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ENERGY: 272 21021.5585 18896.0660 5692.8269 184.9335 -335921.4616 22015.0581 0.0000 0.0000 45607.7076 -222503.3109 165.9083 -268111.0186 -222081.1571 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2138 18932.9079 5697.5117 183.8526 -334925.7014 21985.5297 0.0000 0.0000 45502.7162 -222499.9695 165.5264 -268002.6856 -222069.0458 165.5264 -1837.1975 -2434.6759 921491.4634 -1837.1975 -2434.6759
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ENERGY: 276 19401.8502 19594.7507 5701.2546 182.4904 -333292.1284 21971.0411 0.0000 0.0000 44028.5273 -222412.2140 160.1637 -266440.7413 -222072.9394 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2973 19724.7160 5695.5210 182.9396 -333864.3456 21997.2388 0.0000 0.0000 44632.8112 -222481.8217 162.3619 -267114.6329 -222061.0987 162.3619 -2311.7544 -2498.0544 921491.4634 -2311.7544 -2498.0544
ENERGY: 278 20199.4577 19713.7760 5686.9122 183.6585 -334821.1005 22041.3360 0.0000 0.0000 44532.2540 -222463.7061 161.9961 -266995.9601 -222063.4130 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3648 19593.9431 5677.5176 184.5187 -335888.5801 22096.4200 0.0000 0.0000 43975.0881 -222376.7279 159.9693 -266351.8160 -222065.2023 159.9693 -4044.3211 -2682.8388 921491.4634 -4044.3211 -2682.8388
TIMING: 280 CPU: 133.404, 0.470831/step Wall: 133.404, 0.470831/step, 0.028773 hours remaining, 3223.472656 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 280 22859.3229 19458.4366 5670.0026 185.3899 -336752.6632 22145.1355 0.0000 0.0000 44066.7340 -222367.6418 160.3027 -266434.3758 -222073.4246 160.3027 -4286.3892 -2748.0546 921491.4634 -4286.3892 -2748.0546
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ENERGY: 282 20943.7899 19615.5378 5669.9796 186.8360 -336942.5034 22176.7655 0.0000 0.0000 45823.3369 -222526.2576 166.6927 -268349.5946 -222063.3315 166.6927 -2992.3271 -2779.3667 921491.4634 -2992.3271 -2779.3667
ENERGY: 283 20432.1062 19966.6614 5678.8137 187.1634 -336251.9201 22171.0649 0.0000 0.0000 45328.8520 -222487.2586 164.8939 -267816.1105 -222060.8458 164.8939 -2008.7736 -2748.2305 921491.4634 -2008.7736 -2748.2305
ENERGY: 284 20506.3999 20401.8821 5692.0830 187.1346 -335412.6302 22166.2911 0.0000 0.0000 44071.4481 -222387.3914 160.3198 -266458.8395 -222061.5540 160.3198 -1267.2791 -2712.3901 921491.4634 -1267.2791 -2712.3901
ENERGY: 285 20203.3288 20789.9629 5707.3565 186.7145 -334827.1968 22167.0167 0.0000 0.0000 43418.2630 -222354.5545 157.9437 -265772.8175 -222053.5967 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6311 20966.5622 5721.5031 185.8230 -334658.1150 22176.6864 0.0000 0.0000 43785.6880 -222425.2212 159.2803 -266210.9092 -222054.0582 159.2803 -1306.7502 -2717.2846 921491.4634 -1306.7502 -2717.2846
ENERGY: 287 19176.1192 20856.7823 5731.9346 184.4714 -334918.1481 22200.2911 0.0000 0.0000 44282.9435 -222485.6059 161.0892 -266768.5494 -222055.7253 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
ENERGY: 288 20263.2088 20475.2851 5736.9557 182.7335 -335468.3148 22237.9039 0.0000 0.0000 44116.9902 -222455.2376 160.4855 -266572.2278 -222066.9053 160.4855 -3310.5879 -2790.1554 921491.4634 -3310.5879 -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 ============== 148.76
LDB: Largest compute 200 load 0.523029 is 1.1% of average load 45.796282
LDB: Average compute 0.064161 is 0.1% of average load 45.796282
LDB: TIME 148.762 LOAD: AVG 45.7963 MAX 47.1455 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.87 MB
LDB: TIME 148.763 LOAD: AVG 45.7963 MAX 47.1455 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3223.87 MB
LDB: TIME 148.776 LOAD: AVG 45.7963 MAX 46.3051 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.87 MB
LDB: ============== END OF LOAD BALANCING =============== 148.777
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.778
Info: Initial time: 4 CPUs 0.471108 s/step 5.45263 days/ns 3223.87 MB memory
TIMING: 300 CPU: 142.811, 0.470335/step Wall: 142.811, 0.470335/step, 0.0261297 hours remaining, 3223.867188 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: 152.049, 0.461893/step Wall: 152.049, 0.461893/step, 0.0230946 hours remaining, 3223.867188 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: 161.278, 0.461452/step Wall: 161.278, 0.461452/step, 0.020509 hours remaining, 3223.867188 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: 170.502, 0.461217/step Wall: 170.502, 0.461217/step, 0.0179362 hours remaining, 3223.867188 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: 378 20473.8099 20495.6594 5711.4639 183.2952 -336584.2274 22821.5835 0.0000 0.0000 44474.7533 -222423.6622 161.7869 -266898.4155 -222044.3968 161.7869 -2972.9872 -2523.3499 921491.4634 -2972.9872 -2523.3499
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TIMING: 380 CPU: 179.721, 0.460923/step Wall: 179.721, 0.460923/step, 0.0153641 hours remaining, 3223.867188 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 19327.8181 19356.8911 5707.7751 177.4354 -335210.6396 22871.6141 0.0000 0.0000 45299.7167 -222469.3890 164.7879 -267769.1057 -222051.0994 164.7879 215.3513 -2064.3637 921491.4634 215.3513 -2064.3637
ENERGY: 386 19981.2273 19220.9464 5707.6637 175.9385 -334865.1812 22880.7955 0.0000 0.0000 44519.8581 -222378.7516 161.9510 -266898.6098 -222051.0438 161.9510 122.6668 -2011.2428 921491.4634 122.6668 -2011.2428
ENERGY: 387 20367.2860 19202.4844 5710.9354 174.6759 -335109.8720 22905.2741 0.0000 0.0000 44377.1811 -222372.0350 161.4320 -266749.2161 -222053.0051 161.4320 -738.9585 -2019.1689 921491.4634 -738.9585 -2019.1689
ENERGY: 388 20282.3986 19280.0167 5717.2934 173.7038 -335824.1510 22938.2897 0.0000 0.0000 44972.7757 -222459.6729 163.5986 -267432.4486 -222067.4816 163.5986 -2063.8553 -2076.2821 921491.4634 -2063.8553 -2076.2821
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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 20133.3592 5716.9814 176.0456 -336812.3373 23014.0579 0.0000 0.0000 45592.7322 -222486.3497 165.8538 -268079.0819 -222045.7223 165.8538 -1710.2237 -2443.6967 921491.4634 -1710.2237 -2443.6967
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LDB: ============= START OF LOAD BALANCING ============== 194.906
LDB: Largest compute 230 load 0.526164 is 1.2% of average load 45.744759
LDB: Average compute 0.064057 is 0.1% of average load 45.744759
LDB: TIME 194.908 LOAD: AVG 45.7448 MAX 46.128 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.87 MB
LDB: TIME 194.909 LOAD: AVG 45.7448 MAX 46.128 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.87 MB
LDB: TIME 194.909 LOAD: AVG 45.7448 MAX 46.128 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.87 MB
LDB: ============== END OF LOAD BALANCING =============== 194.909
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.91
Info: Benchmark time: 4 CPUs 0.461232 s/step 5.33834 days/ns 3223.87 MB memory
TIMING: 400 CPU: 188.938, 0.460881/step Wall: 188.938, 0.460881/step, 0.0128023 hours remaining, 3223.867188 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: 403 20784.9696 19778.4824 5715.7218 174.2695 -337239.9775 23077.8394 0.0000 0.0000 45225.5964 -222483.0984 164.5183 -267708.6948 -222046.6854 164.5183 -3613.5981 -2605.7430 921491.4634 -3613.5981 -2605.7430
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ENERGY: 409 20350.1185 19376.4605 5688.4775 191.1593 -336896.6838 23057.9913 0.0000 0.0000 45733.6061 -222498.8706 166.3663 -268232.4766 -222051.6706 166.3663 -2367.4921 -2346.9328 921491.4634 -2367.4921 -2346.9328
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 20661.9895 5710.0857 195.6954 -336157.5857 23063.1707 0.0000 0.0000 44200.2852 -222384.0422 160.7885 -266584.3274 -222052.9645 160.7885 -282.7616 -2224.6899 921491.4634 -282.7616 -2224.6899
ENERGY: 417 20031.3749 20631.3208 5709.0494 192.4696 -336373.1070 23072.1091 0.0000 0.0000 44338.4622 -222398.3210 161.2911 -266736.7832 -222044.6994 161.2911 -112.4555 -2227.1702 921491.4634 -112.4555 -2227.1702
ENERGY: 418 20154.6646 20457.0907 5705.5847 188.6536 -336970.7861 23098.6719 0.0000 0.0000 44915.1425 -222450.9779 163.3889 -267366.1204 -222046.7094 163.3889 -671.8547 -2269.9923 921491.4634 -671.8547 -2269.9923
ENERGY: 419 20790.7629 20185.5521 5700.4810 184.6055 -337717.8749 23139.8017 0.0000 0.0000 45250.3103 -222466.3614 164.6082 -267716.6717 -222049.5951 164.6082 -1783.9422 -2336.6466 921491.4634 -1783.9422 -2336.6466
TIMING: 420 CPU: 198.131, 0.459641/step Wall: 198.131, 0.459641/step, 0.0102142 hours remaining, 3223.867188 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 19598.5317 19595.2898 5707.1504 168.7509 -335498.4320 23074.5003 0.0000 0.0000 44915.2775 -222438.9314 163.3894 -267354.2089 -222048.7342 163.3894 -741.9010 -2207.6356 921491.4634 -741.9010 -2207.6356
ENERGY: 428 20140.4228 19760.4171 5710.4628 168.5259 -336199.9851 23087.7673 0.0000 0.0000 44884.2594 -222448.1298 163.2766 -267332.3892 -222058.0551 163.2766 -935.5732 -2206.9585 921491.4634 -935.5732 -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 22013.9871 20024.3739 5712.1700 168.1897 -338096.9202 23149.4489 0.0000 0.0000 44626.3098 -222402.4408 162.3382 -267028.7506 -222047.3916 162.3382 -2472.2456 -2268.0466 921491.4634 -2472.2456 -2268.0466
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ENERGY: 432 21768.3704 20188.6726 5710.3547 168.1086 -338651.2100 23176.0842 0.0000 0.0000 45177.9908 -222461.6288 164.3451 -267639.6195 -222065.9061 164.3451 -3350.2743 -2296.1499 921491.4634 -3350.2743 -2296.1499
ENERGY: 433 21200.9072 20275.9665 5710.3763 168.4633 -338164.0636 23162.2907 0.0000 0.0000 45192.9282 -222453.1314 164.3995 -267646.0596 -222052.5985 164.3995 -3187.3735 -2272.1277 921491.4634 -3187.3735 -2272.1277
ENERGY: 434 20730.3412 20338.1500 5711.6061 169.3247 -337394.2702 23140.7732 0.0000 0.0000 44883.0996 -222420.9754 163.2724 -267304.0751 -222051.1465 163.2724 -2694.3110 -2227.7886 921491.4634 -2694.3110 -2227.7886
ENERGY: 435 20235.2201 20362.4015 5714.0003 170.8455 -336680.6553 23123.4094 0.0000 0.0000 44675.9839 -222398.7947 162.5190 -267074.7786 -222049.5891 162.5190 -2061.3584 -2179.8952 921491.4634 -2061.3584 -2179.8952
ENERGY: 436 19670.9242 20349.9981 5717.2345 173.0864 -336303.8809 23119.9075 0.0000 0.0000 44847.0983 -222425.6318 163.1414 -267272.7301 -222059.6960 163.1414 -1520.6599 -2145.1617 921491.4634 -1520.6599 -2145.1617
ENERGY: 437 19434.5516 20329.5091 5720.9894 175.9827 -336411.9782 23136.3865 0.0000 0.0000 45159.2687 -222455.2902 164.2770 -267614.5589 -222050.7504 164.2770 -1319.1169 -2134.4849 921491.4634 -1319.1169 -2134.4849
ENERGY: 438 19935.1532 20278.6095 5724.6884 179.3849 -336899.4573 23173.5517 0.0000 0.0000 45148.1323 -222459.9374 164.2365 -267608.0698 -222051.5669 164.2365 -1493.0941 -2145.0881 921491.4634 -1493.0941 -2145.0881
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TIMING: 440 CPU: 207.316, 0.459227/step Wall: 207.316, 0.459227/step, 0.00765379 hours remaining, 3223.867188 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 22071.5682 20036.2372 5729.7527 186.7202 -338123.1805 23276.2484 0.0000 0.0000 44417.5458 -222405.1081 161.5788 -266822.6539 -222059.4774 161.5788 -2408.4612 -2197.9671 921491.4634 -2408.4612 -2197.9671
ENERGY: 441 22355.5485 19860.0410 5730.3488 190.1146 -338361.1715 23313.2044 0.0000 0.0000 44502.6963 -222409.2180 161.8886 -266911.9143 -222050.0861 161.8886 -2716.1028 -2221.5314 921491.4634 -2716.1028 -2221.5314
ENERGY: 442 21853.6118 19664.5350 5729.4854 192.9412 -338090.1534 23327.1567 0.0000 0.0000 44880.6318 -222441.7915 163.2634 -267322.4233 -222049.7757 163.2634 -2710.5577 -2229.0696 921491.4634 -2710.5577 -2229.0696
ENERGY: 443 21064.3317 19487.0723 5727.6165 194.9329 -337369.3152 23320.0157 0.0000 0.0000 45118.1105 -222457.2356 164.1273 -267575.3461 -222048.5997 164.1273 -2448.1649 -2220.3531 921491.4634 -2448.1649 -2220.3531
ENERGY: 444 20449.3364 19357.2689 5725.4095 195.8735 -336464.1927 23301.5276 0.0000 0.0000 44987.7175 -222447.0592 163.6530 -267434.7767 -222057.9802 163.6530 -2090.2102 -2206.4401 921491.4634 -2090.2102 -2206.4401
ENERGY: 445 20125.5608 19307.2516 5723.6513 195.6942 -335759.3918 23283.8139 0.0000 0.0000 44708.7154 -222414.7046 162.6380 -267123.4199 -222046.5432 162.6380 -1846.9628 -2201.6927 921491.4634 -1846.9628 -2201.6927
ENERGY: 446 19947.6805 19324.9004 5722.5430 194.3235 -335494.5712 23276.0452 0.0000 0.0000 44620.2944 -222408.7843 162.3164 -267029.0787 -222046.1624 162.3164 -1800.7520 -2216.7295 921491.4634 -1800.7520 -2216.7295
ENERGY: 447 19914.2848 19416.0208 5722.2107 191.8641 -335769.4403 23282.7459 0.0000 0.0000 44816.5085 -222425.8054 163.0301 -267242.3139 -222046.8347 163.0301 -1993.3113 -2253.0604 921491.4634 -1993.3113 -2253.0604
ENERGY: 448 20187.5921 19583.6798 5722.5765 188.5554 -336503.1799 23303.8906 0.0000 0.0000 45065.6670 -222451.2186 163.9365 -267516.8856 -222059.3481 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 21754.4852 20108.1298 5724.4776 181.0897 -338419.3247 23364.6246 0.0000 0.0000 44854.3091 -222432.2087 163.1676 -267286.5178 -222048.7861 163.1676 -3116.6755 -2394.3895 921491.4634 -3116.6755 -2394.3895
ENERGY: 451 22355.5901 20357.7254 5724.7144 177.6517 -338952.0906 23381.8010 0.0000 0.0000 44542.6980 -222411.9101 162.0341 -266954.6081 -222048.8246 162.0341 -3074.2532 -2405.7796 921491.4634 -3074.2532 -2405.7796
ENERGY: 452 22246.2015 20536.0133 5723.8953 174.8859 -338927.1536 23378.0947 0.0000 0.0000 44452.9189 -222415.1440 161.7075 -266868.0629 -222059.6371 161.7075 -2659.9604 -2384.7566 921491.4634 -2659.9604 -2384.7566
ENERGY: 453 21399.8727 20641.1309 5722.2879 173.1350 -338392.7932 23354.5911 0.0000 0.0000 44683.7025 -222418.0731 162.5470 -267101.7756 -222043.5373 162.5470 -2048.3337 -2342.4666 921491.4634 -2048.3337 -2342.4666
ENERGY: 454 20248.3381 20654.1372 5720.2217 172.3637 -337567.1413 23320.6906 0.0000 0.0000 45008.1457 -222443.2443 163.7273 -267451.3899 -222041.8392 163.7273 -1453.4578 -2293.1448 921491.4634 -1453.4578 -2293.1448
ENERGY: 455 19486.7906 20584.7119 5718.4844 172.5169 -336790.6450 23290.4028 0.0000 0.0000 45086.5780 -222451.1604 164.0126 -267537.7384 -222040.8571 164.0126 -1151.8822 -2255.8569 921491.4634 -1151.8822 -2255.8569
ENERGY: 456 19493.3720 20440.6799 5717.7556 173.4248 -336350.1071 23274.9635 0.0000 0.0000 44811.4718 -222438.4395 163.0118 -267249.9112 -222055.3485 163.0118 -1305.5002 -2245.5820 921491.4634 -1305.5002 -2245.5820
ENERGY: 457 20047.4927 20251.9434 5718.5580 174.9241 -336395.8160 23277.8279 0.0000 0.0000 44521.8697 -222403.2002 161.9583 -266925.0698 -222049.4132 161.9583 -1906.4162 -2263.5010 921491.4634 -1906.4162 -2263.5010
ENERGY: 458 20585.8433 20019.2723 5720.7061 176.6081 -336835.0955 23294.7177 0.0000 0.0000 44632.7881 -222405.1598 162.3618 -267037.9479 -222051.2821 162.3618 -2684.6984 -2301.0424 921491.4634 -2684.6984 -2301.0424
ENERGY: 459 20903.4944 19784.9691 5724.0022 178.1985 -337468.1640 23318.6987 0.0000 0.0000 45113.9361 -222444.8652 164.1121 -267558.8012 -222053.1410 164.1121 -3350.5829 -2341.5794 921491.4634 -3350.5829 -2341.5794
TIMING: 460 CPU: 216.494, 0.458913/step Wall: 216.494, 0.458913/step, 0.00509903 hours remaining, 3223.867188 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 21262.6137 19597.9065 5728.0972 179.4910 -338014.3765 23341.8005 0.0000 0.0000 45423.8560 -222480.6116 165.2395 -267904.4677 -222064.6836 165.2395 -3669.8200 -2365.2411 921491.4634 -3669.8200 -2365.2411
ENERGY: 461 21862.8761 19507.1078 5732.5753 180.4333 -338251.6216 23355.3938 0.0000 0.0000 45154.6133 -222458.6219 164.2601 -267613.2353 -222058.0507 164.2601 -3556.1665 -2361.1798 921491.4634 -3556.1665 -2361.1798
ENERGY: 462 22264.2256 19487.8112 5736.4823 180.9531 -337988.7171 23351.1088 0.0000 0.0000 44559.9287 -222408.2074 162.0968 -266968.1361 -222056.7214 162.0968 -2954.8199 -2323.4249 921491.4634 -2954.8199 -2323.4249
ENERGY: 463 21821.1792 19513.9018 5738.9361 181.1160 -337284.1030 23326.9479 0.0000 0.0000 44313.4568 -222388.5652 161.2002 -266702.0220 -222054.6242 161.2002 -2012.4423 -2264.0777 921491.4634 -2012.4423 -2264.0777
ENERGY: 464 20535.2460 19559.9274 5739.2519 181.0096 -336389.3843 23291.1943 0.0000 0.0000 44654.0265 -222428.7285 162.4391 -267082.7550 -222058.5729 162.4391 -1050.9226 -2205.5267 921491.4634 -1050.9226 -2205.5267
ENERGY: 465 19322.7826 19631.8856 5737.2899 180.7155 -335701.1536 23259.7392 0.0000 0.0000 45094.5687 -222474.1720 164.0416 -267568.7408 -222052.9389 164.0416 -512.3345 -2174.4007 921491.4634 -512.3345 -2174.4007
ENERGY: 466 19088.4510 19708.3583 5733.2107 180.2808 -335443.7727 23245.0604 0.0000 0.0000 45020.7908 -222467.6207 163.7733 -267488.4115 -222052.9786 163.7733 -630.3312 -2182.6709 921491.4634 -630.3312 -2182.6709
ENERGY: 467 19841.8070 19783.1743 5727.6704 179.7757 -335721.0952 23249.4530 0.0000 0.0000 44523.6665 -222415.5483 161.9649 -266939.2148 -222054.3495 161.9649 -1393.6028 -2232.5922 921491.4634 -1393.6028 -2232.5922
ENERGY: 468 20761.8482 19845.4943 5721.5090 179.2779 -336451.5667 23265.8125 0.0000 0.0000 44291.6585 -222385.9664 161.1209 -266677.6249 -222056.3592 161.1209 -2508.6713 -2314.1339 921491.4634 -2508.6713 -2314.1339
ENERGY: 469 21236.3015 19910.2021 5715.6824 178.8504 -337458.3201 23284.3961 0.0000 0.0000 44720.3204 -222412.5673 162.6802 -267132.8877 -222046.0751 162.6802 -3596.7405 -2405.7972 921491.4634 -3596.7405 -2405.7972
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1730 19972.8932 5710.9491 178.5947 -338383.2506 23297.0671 0.0000 0.0000 45346.4577 -222466.1157 164.9579 -267812.5734 -222047.6089 164.9579 -4259.6996 -2477.6831 921491.4634 -4259.6996 -2477.6831
ENERGY: 471 21732.8677 20054.6832 5707.9626 178.5890 -338913.2449 23297.5083 0.0000 0.0000 45471.3369 -222470.2972 165.4122 -267941.6341 -222047.5360 165.4122 -4290.5684 -2504.3175 921491.4634 -4290.5684 -2504.3175
ENERGY: 472 22081.2361 20161.5547 5707.0091 178.9047 -338870.6762 23279.4489 0.0000 0.0000 45028.5299 -222433.9929 163.8014 -267462.5227 -222059.5057 163.8014 -3659.7360 -2479.9183 921491.4634 -3659.7360 -2479.9183
ENERGY: 473 21866.1362 20289.3421 5707.9843 179.6165 -338307.7185 23240.7361 0.0000 0.0000 44634.5175 -222389.3858 162.3681 -267023.9034 -222043.8539 162.3681 -2556.3616 -2408.1657 921491.4634 -2556.3616 -2408.1657
ENERGY: 474 20842.9703 20372.0980 5710.2160 180.7466 -337438.4545 23189.2346 0.0000 0.0000 44733.2309 -222409.9581 162.7272 -267143.1890 -222041.2619 162.7272 -1295.5525 -2316.2728 921491.4634 -1295.5525 -2316.2728
ENERGY: 475 19674.2079 20371.7668 5712.9876 182.2512 -336604.2306 23142.3815 0.0000 0.0000 45070.2141 -222450.4216 163.9531 -267520.6357 -222039.4529 163.9531 -344.6449 -2232.2125 921491.4634 -344.6449 -2232.2125
ENERGY: 476 19235.7861 20282.0269 5715.7683 184.0125 -336100.0902 23115.8464 0.0000 0.0000 45106.0635 -222460.5865 164.0835 -267566.6500 -222053.6142 164.0835 -92.4052 -2183.0655 921491.4634 -92.4052 -2183.0655
ENERGY: 477 19704.7251 20145.9809 5718.4976 185.9230 -336101.8789 23114.2937 0.0000 0.0000 44812.3208 -222420.1378 163.0149 -267232.4586 -222044.8415 163.0149 -667.4948 -2171.8231 921491.4634 -667.4948 -2171.8231
ENERGY: 478 20493.4778 19974.7635 5721.0254 187.7262 -336537.4037 23131.2457 0.0000 0.0000 44627.0332 -222402.1318 162.3409 -267029.1651 -222047.4110 162.3409 -1807.1606 -2198.7959 921491.4634 -1807.1606 -2198.7959
ENERGY: 479 21125.3058 19793.3954 5723.3295 189.2099 -337215.5840 23156.6769 0.0000 0.0000 44802.1579 -222425.5086 162.9779 -267227.6665 -222050.5464 162.9779 -3089.8518 -2246.7920 921491.4634 -3089.8518 -2246.7920
TIMING: 480 CPU: 225.672, 0.45889/step Wall: 225.672, 0.45889/step, 0.00254939 hours remaining, 3223.867188 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 21624.0326 19623.1964 5725.3111 190.1901 -337854.6784 23181.5115 0.0000 0.0000 45051.6817 -222458.7551 163.8856 -267510.4368 -222064.6211 163.8856 -4077.7327 -2291.4893 921491.4634 -4077.7327 -2291.4893
ENERGY: 481 22092.4853 19510.0433 5727.0952 190.6351 -338199.2481 23196.7956 0.0000 0.0000 45041.3371 -222440.8564 163.8480 -267482.1935 -222052.5267 163.8480 -4466.2395 -2305.6734 921491.4634 -4466.2395 -2305.6734
ENERGY: 482 22186.3467 19466.6795 5728.4963 190.3598 -338044.5419 23192.7472 0.0000 0.0000 44865.8523 -222414.0602 163.2096 -267279.9124 -222051.4114 163.2096 -4059.3099 -2278.0617 921491.4634 -4059.3099 -2278.0617
ENERGY: 483 21553.1413 19511.5746 5729.5660 189.3227 -337426.2187 23165.8738 0.0000 0.0000 44861.8973 -222414.8431 163.1953 -267276.7404 -222048.7673 163.1953 -2964.1724 -2216.4118 921491.4634 -2964.1724 -2216.4118
ENERGY: 484 20460.8925 19631.1940 5730.2465 187.5455 -336590.8887 23126.1349 0.0000 0.0000 45003.6035 -222451.2718 163.7107 -267454.8754 -222059.8743 163.7107 -1565.2427 -2143.1851 921491.4634 -1565.2427 -2143.1851
ENERGY: 485 19688.7720 19800.2992 5730.5256 185.2458 -335902.5869 23092.8468 0.0000 0.0000 44955.5729 -222449.3247 163.5360 -267404.8976 -222045.9607 163.5360 -422.1572 -2086.8738 921491.4634 -422.1572 -2086.8738
ENERGY: 486 19602.5427 19954.8177 5729.7197 182.4662 -335612.3571 23080.3805 0.0000 0.0000 44645.9120 -222416.5183 162.4096 -267062.4302 -222044.6762 162.4096 87.3178 -2070.0984 921491.4634 87.3178 -2070.0984
ENERGY: 487 19881.0926 20072.0213 5727.4347 179.4360 -335846.4485 23091.0542 0.0000 0.0000 44503.3496 -222392.0600 161.8910 -266895.4097 -222045.2408 161.8910 -192.2348 -2106.8842 921491.4634 -192.2348 -2106.8842
ENERGY: 488 20125.2099 20156.1361 5723.5440 176.4338 -336552.5455 23118.8614 0.0000 0.0000 44827.0561 -222425.3042 163.0685 -267252.3603 -222057.1939 163.0685 -1145.7535 -2194.6681 921491.4634 -1145.7535 -2194.6681
ENERGY: 489 20526.8871 20236.4608 5718.5748 173.8639 -337540.4659 23156.7308 0.0000 0.0000 45266.1010 -222461.8474 164.6656 -267727.9484 -222045.6087 164.6656 -2511.2406 -2316.7068 921491.4634 -2511.2406 -2316.7068
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7489 20292.9020 5712.8912 171.8438 -338458.1365 23196.4876 0.0000 0.0000 45213.5636 -222459.6995 164.4745 -267673.2631 -222048.2209 164.4745 -3823.4040 -2437.4156 921491.4634 -3823.4040 -2437.4156
ENERGY: 491 22430.4639 20312.1358 5707.3795 170.5404 -338984.5798 23226.0936 0.0000 0.0000 44733.0097 -222404.9570 162.7264 -267137.9666 -222049.4639 162.7264 -4629.6935 -2524.6216 921491.4634 -4629.6935 -2524.6216
ENERGY: 492 22612.9547 20289.6808 5702.9944 170.0207 -338937.5822 23232.7205 0.0000 0.0000 44542.1958 -222387.0153 162.0323 -266929.2111 -222060.3862 162.0323 -4606.8526 -2557.4731 921491.4634 -4606.8526 -2557.4731
ENERGY: 493 21558.2187 20260.7372 5700.7779 170.3200 -338358.0641 23214.0537 0.0000 0.0000 45033.8238 -222420.1328 163.8207 -267453.9566 -222046.5903 163.8207 -3796.3821 -2540.0997 921491.4634 -3796.3821 -2540.0997
ENERGY: 494 20068.3365 20225.0260 5700.9806 171.2193 -337454.3844 23183.0796 0.0000 0.0000 45622.2484 -222483.4942 165.9612 -268105.7426 -222044.0870 165.9612 -2500.8994 -2482.1070 921491.4634 -2500.8994 -2482.1070
ENERGY: 495 19383.2462 20186.8300 5703.5926 172.5416 -336566.9897 23159.4626 0.0000 0.0000 45484.1239 -222477.1927 165.4587 -267961.3167 -222041.5566 165.4587 -1249.6838 -2407.3057 921491.4634 -1249.6838 -2407.3057
ENERGY: 496 19722.4835 20130.6472 5708.0350 174.0933 -335998.7165 23154.2637 0.0000 0.0000 44699.5278 -222409.6660 162.6046 -267109.1938 -222049.0670 162.6046 -478.8998 -2343.4751 921491.4634 -478.8998 -2343.4751
ENERGY: 497 20212.6670 20059.9177 5713.4613 175.7242 -335952.5053 23166.3547 0.0000 0.0000 44261.0295 -222363.3510 161.0095 -266624.3805 -222042.7500 161.0095 -421.0232 -2316.7928 921491.4634 -421.0232 -2316.7928
ENERGY: 498 20182.0166 19957.1216 5718.5597 177.2604 -336366.4945 23189.3587 0.0000 0.0000 44728.2542 -222413.9233 162.7091 -267142.1775 -222044.5219 162.7091 -993.4679 -2331.6472 921491.4634 -993.4679 -2331.6472
ENERGY: 499 20158.0678 19847.7309 5722.4090 178.6361 -337058.4836 23219.2406 0.0000 0.0000 45439.2653 -222493.1339 165.2956 -267932.3992 -222047.2062 165.2956 -2020.8686 -2376.3390 921491.4634 -2020.8686 -2376.3390
Info: Benchmark time: 4 CPUs 0.45838 s/step 5.30532 days/ns 3223.87 MB memory
TIMING: 500 CPU: 234.777, 0.455236/step Wall: 234.777, 0.455236/step, 0 hours remaining, 3223.867188 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8937 19756.6585 5724.4523 179.8271 -337741.4207 23251.1010 0.0000 0.0000 45359.0787 -222495.4094 165.0039 -267854.4881 -222061.0912 165.0039 -3197.5168 -2425.4143 921491.4634 -3197.5168 -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, 3229.121 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.121 MB of memory in use
====================================================
WallClock: 241.633514 CPUTime: 241.633514 Memory: 3229.121094 MB
[Partition 0][Node 0] End of program
Application 736689 resources: utime ~950s, stime ~18s, Rss ~126636, inblocks ~66621, outblocks ~71899
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins6649368907237319695.sh
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-Run/workspace
NCSA JYC System
Access status: User Access UnRestricted.
Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.
Restricted access during weekly scheduled maintenance on Wednesdays 10AM - 6PM
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-Run/workspace
NCSA JYC System
Access status: User Access UnRestricted.
Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.
Restricted access during weekly scheduled maintenance on Wednesdays 10AM - 6PM
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-Run/workspace
NCSA JYC System
Access status: User Access UnRestricted.
Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.
Restricted access during weekly scheduled maintenance on Wednesdays 10AM - 6PM
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-Run/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-Run/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-Run/workspace/memory
Finished: SUCCESS
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