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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 ============== 54.6551
LDB: Largest compute 200 load 0.434261 is 1.2% of average load 36.831208
LDB: Average compute 0.051597 is 0.1% of average load 36.831208
LDB: Partitioning computes with target load 3.683121
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.056124
LDB: ============== END OF LOAD BALANCING =============== 54.6573
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.6582
Info: Initial time: 4 CPUs 0.474725 s/step 5.4945 days/ns 3221.55 MB memory
TIMING: 100 CPU: 48.4453, 0.47377/step Wall: 48.4453, 0.47377/step, 0.0526411 hours remaining, 3221.550781 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 64.1141
LDB: ============== END OF LOAD BALANCING =============== 64.1142
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.1147
TIMING: 120 CPU: 57.9006, 0.472766/step Wall: 57.9006, 0.472766/step, 0.0499031 hours remaining, 3221.738281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 130 21553.6088 18898.7761 5736.4508 185.0194 -334776.0137 21118.0423 0.0000 0.0000 44811.1496 -222472.9667 163.0106 -267284.1163 -222216.5365 163.0106 -5536.0556 -2842.3154 921491.4634 -5536.0556 -2842.3154
ENERGY: 131 21530.9956 19804.6628 5745.0872 187.0957 -335083.2645 21105.7069 0.0000 0.0000 44221.5103 -222488.2060 160.8657 -266709.7162 -222215.1805 160.8657 -5164.7864 -2872.9597 921491.4634 -5164.7864 -2872.9597
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ENERGY: 138 21874.8524 19195.4802 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9639 -222340.8739 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: 67.3483, 0.472384/step Wall: 67.3483, 0.472384/step, 0.0472384 hours remaining, 3221.878906 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 20992.5978 17997.1577 5722.1741 192.2140 -333726.9443 21127.4061 0.0000 0.0000 45144.2513 -222551.1434 164.2224 -267695.3947 -222224.0362 164.2224 -5617.7629 -3080.3639 921491.4634 -5617.7629 -3080.3639
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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 -334899.3753 20845.5771 0.0000 0.0000 44606.5897 -222515.5243 162.2665 -267122.1141 -222153.2665 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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TIMING: 160 CPU: 76.7864, 0.471904/step Wall: 76.7864, 0.471904/step, 0.0445687 hours remaining, 3222.164062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 180 CPU: 86.2131, 0.471337/step Wall: 86.2131, 0.471337/step, 0.0418966 hours remaining, 3222.292969 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 186 19266.0404 19234.9571 5686.4352 181.9571 -332240.0937 21043.7459 0.0000 0.0000 44391.5888 -222435.3691 161.4844 -266826.9579 -222129.2887 161.4844 -2596.4732 -2731.4264 921491.4634 -2596.4732 -2731.4264
ENERGY: 187 22073.2966 19471.4304 5678.7398 184.6336 -333156.1126 21076.9264 0.0000 0.0000 42449.0056 -222222.0800 154.4178 -264671.0857 -222130.9079 154.4178 -3641.8535 -2802.0867 921491.4634 -3641.8535 -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 21700.3669 19122.7580 5714.1451 184.7200 -332668.2729 21129.4588 0.0000 0.0000 42574.3655 -222242.4588 154.8738 -264816.8242 -222086.7180 154.8738 -3040.7436 -2596.5494 921491.4634 -3040.7436 -2596.5494
ENERGY: 198 21224.0060 18800.3005 5711.3574 186.3640 -333385.4996 21161.1533 0.0000 0.0000 43911.2863 -222391.0321 159.7372 -266302.3184 -222090.4392 159.7372 -4381.6807 -2646.7679 921491.4634 -4381.6807 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.854
LDB: Largest compute 200 load 0.429246 is 1.2% of average load 36.649067
LDB: Average compute 0.051337 is 0.1% of average load 36.649067
LDB: TIME 101.856 LOAD: AVG 36.6491 MAX 37.7393 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.65 MB
LDB: TIME 101.858 LOAD: AVG 36.6491 MAX 37.55 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.65 MB
LDB: ============== END OF LOAD BALANCING =============== 101.86
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.863
Info: Initial time: 4 CPUs 0.471896 s/step 5.46176 days/ns 3223.78 MB memory
TIMING: 200 CPU: 95.6448, 0.471586/step Wall: 95.6448, 0.471586/step, 0.0392988 hours remaining, 3223.781250 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 23622.8117 18850.8450 5722.5980 192.1474 -334305.3007 21243.2752 0.0000 0.0000 42432.5588 -222241.0646 154.3580 -264673.6234 -222096.8290 154.3580 -3005.0519 -2588.0014 921491.4634 -3005.0519 -2588.0014
ENERGY: 203 20743.8946 19130.0390 5729.2400 192.0764 -333501.9373 21215.8254 0.0000 0.0000 44059.6986 -222431.1634 160.2771 -266490.8620 -222093.6426 160.2771 -1046.8259 -2512.4435 921491.4634 -1046.8259 -2512.4435
ENERGY: 204 17862.6124 19486.9557 5734.1463 191.2124 -332722.2201 21188.8403 0.0000 0.0000 45629.4720 -222628.9810 165.9875 -268258.4530 -222116.7003 165.9875 452.9932 -2462.2929 921491.4634 452.9932 -2462.2929
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ENERGY: 208 20293.2702 20371.8904 5718.1572 182.8654 -334789.2377 21322.2410 0.0000 0.0000 44428.6270 -222472.1865 161.6191 -266900.8134 -222122.6314 161.6191 -3669.0641 -2719.7952 921491.4634 -3669.0641 -2719.7952
ENERGY: 209 19428.8170 20325.0059 5710.3389 180.5135 -335910.2412 21349.5044 0.0000 0.0000 46273.6801 -222642.3814 168.3309 -268916.0615 -222106.7900 168.3309 -5197.7273 -2836.6306 921491.4634 -5197.7273 -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 21385.1735 20194.2569 5705.3139 178.4614 -336615.7768 21385.1096 0.0000 0.0000 45251.4335 -222516.0281 164.6123 -267767.4615 -222108.2015 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1928 19985.8631 5704.9373 176.9105 -336667.8927 21415.1477 0.0000 0.0000 43031.7285 -222254.1127 156.5376 -265285.8413 -222106.8540 156.5376 -5900.2978 -2885.1010 921491.4634 -5900.2978 -2885.1010
ENERGY: 212 23739.2710 19730.8221 5710.0295 176.0352 -336013.6227 21412.5983 0.0000 0.0000 42995.1638 -222249.7026 156.4046 -265244.8664 -222104.2318 156.4046 -4424.1003 -2820.3210 921491.4634 -4424.1003 -2820.3210
ENERGY: 213 20150.2161 19524.5248 5720.1722 175.9508 -334874.6443 21380.5552 0.0000 0.0000 45418.7805 -222504.4447 165.2210 -267923.2252 -222097.3835 165.2210 -2174.3118 -2725.0840 921491.4634 -2174.3118 -2725.0840
ENERGY: 214 17315.5529 19421.7447 5733.3059 176.6827 -333645.3935 21358.4486 0.0000 0.0000 46958.4702 -222681.1885 170.8220 -269639.6587 -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 21379.5597 0.0000 0.0000 45302.6745 -222527.8917 164.7987 -267830.5662 -222091.0447 164.7987 784.0015 -2554.0367 921491.4634 784.0015 -2554.0367
ENERGY: 216 20973.4716 19522.5061 5756.9571 180.1770 -332560.1059 21436.4836 0.0000 0.0000 42442.1787 -222248.3317 154.3930 -264690.5104 -222073.6155 154.3930 420.9903 -2541.5428 921491.4634 420.9903 -2541.5428
ENERGY: 217 21778.3866 19581.4820 5762.2416 182.5517 -333010.6756 21497.2706 0.0000 0.0000 41983.6749 -222225.0682 152.7251 -264208.7431 -222064.4464 152.7251 -882.1697 -2598.7243 921491.4634 -882.1697 -2598.7243
ENERGY: 218 20165.9157 19540.0890 5761.2415 184.9927 -333856.1146 21546.6562 0.0000 0.0000 44178.6835 -222478.5360 160.7099 -266657.2195 -222068.8154 160.7099 -2628.0651 -2703.9746 921491.4634 -2628.0651 -2703.9746
ENERGY: 219 19429.8640 19413.3931 5754.3577 187.2447 -334778.0708 21596.8809 0.0000 0.0000 45751.9297 -222644.4007 166.4329 -268396.3303 -222073.1719 166.4329 -4457.7331 -2810.5236 921491.4634 -4457.7331 -2810.5236
TIMING: 220 CPU: 105.089, 0.472222/step Wall: 105.089, 0.472222/step, 0.0367284 hours remaining, 3223.781250 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: 114.523, 0.471668/step Wall: 114.523, 0.471668/step, 0.0340649 hours remaining, 3223.781250 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 19462.3621 19969.6446 5749.3614 168.8705 -335233.7067 21770.4748 0.0000 0.0000 45537.0690 -222575.9243 165.6513 -268112.9933 -222061.6672 165.6513 -3760.4506 -2614.6992 921491.4634 -3760.4506 -2614.6992
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ENERGY: 246 20878.5480 19853.7025 5716.8932 174.1558 -334213.1202 21705.0850 0.0000 0.0000 43600.4182 -222284.3176 158.6063 -265884.7357 -222067.4293 158.6063 -1173.7928 -2523.3912 921491.4634 -1173.7928 -2523.3912
ENERGY: 247 19868.5285 19979.6440 5712.7400 177.5412 -334802.1838 21719.8454 0.0000 0.0000 44912.1912 -222431.6935 163.3782 -267343.8846 -222068.1392 163.3782 -982.9998 -2552.5930 921491.4634 -982.9998 -2552.5930
ENERGY: 248 19035.4924 20164.4296 5713.8450 181.3144 -335623.1351 21746.4311 0.0000 0.0000 46185.9362 -222595.6864 168.0117 -268781.6226 -222090.3126 168.0117 -1359.1245 -2608.3065 921491.4634 -1359.1245 -2608.3065
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9043 20013.1598 5733.2541 193.8023 -336093.2675 21826.9295 0.0000 0.0000 43905.3720 -222425.8454 159.7157 -266331.2175 -222091.3303 159.7157 -3843.4683 -2758.0338 921491.4634 -3843.4683 -2758.0338
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ENERGY: 256 20899.4408 18950.9577 5693.4518 195.6570 -332975.5966 21757.6847 0.0000 0.0000 43181.1612 -222297.2434 157.0812 -265478.4046 -222071.2736 157.0812 -2042.2406 -2664.5198 921491.4634 -2042.2406 -2664.5198
ENERGY: 257 20029.5652 18878.1873 5681.1759 194.7976 -333481.0034 21780.2419 0.0000 0.0000 44488.5468 -222428.4887 161.8371 -266917.0356 -222060.1680 161.8371 -2035.5360 -2692.1441 921491.4634 -2035.5360 -2692.1441
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TIMING: 260 CPU: 123.945, 0.471097/step Wall: 123.945, 0.471097/step, 0.0314065 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: 262 21606.2725 19814.6778 5694.0656 188.7122 -336291.7860 21947.6074 0.0000 0.0000 44601.6346 -222438.8159 162.2485 -267040.4506 -222052.4322 162.2485 -3214.7562 -2810.4637 921491.4634 -3214.7562 -2810.4637
ENERGY: 263 19781.1229 20140.5623 5703.8103 187.9445 -335614.9714 21924.4740 0.0000 0.0000 45349.7771 -222527.2803 164.9700 -267877.0574 -222051.1546 164.9700 -2647.8116 -2773.3903 921491.4634 -2647.8116 -2773.3903
ENERGY: 264 19385.2260 20436.4306 5710.6950 187.5052 -334855.9511 21907.7772 0.0000 0.0000 44751.4784 -222476.8387 162.7936 -267228.3171 -222069.1981 162.7936 -2191.1926 -2723.5293 921491.4634 -2191.1926 -2723.5293
ENERGY: 265 19946.8414 20681.9926 5713.6241 187.4392 -334395.6631 21906.0163 0.0000 0.0000 43607.6375 -222352.1119 158.6326 -265959.7493 -222054.3370 158.6326 -2038.0571 -2683.6034 921491.4634 -2038.0571 -2683.6034
ENERGY: 266 20048.7898 20788.8700 5712.1327 187.6137 -334399.4575 21914.4805 0.0000 0.0000 43399.3798 -222348.1910 157.8750 -265747.5708 -222054.3633 157.8750 -2130.7239 -2664.5956 921491.4634 -2130.7239 -2664.5956
ENERGY: 267 19648.0904 20691.2678 5707.0583 187.8501 -334831.4853 21930.8374 0.0000 0.0000 44220.2170 -222446.1644 160.8610 -266666.3814 -222055.6583 160.8610 -2435.4233 -2662.6783 921491.4634 -2435.4233 -2662.6783
ENERGY: 268 19962.9160 20375.7515 5700.1930 187.9286 -335513.7448 21959.1257 0.0000 0.0000 44823.5378 -222504.2922 163.0557 -267327.8301 -222075.9873 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 22620.1935 19450.9166 5690.3173 187.1618 -336650.6774 22028.8070 0.0000 0.0000 44308.0076 -222365.2736 161.1804 -266673.2812 -222067.0432 161.1804 -3583.3635 -2617.7583 921491.4634 -3583.3635 -2617.7583
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ENERGY: 272 21021.5586 18896.0660 5692.8269 184.9335 -335921.4612 22015.0579 0.0000 0.0000 45607.7077 -222503.3106 165.9083 -268111.0183 -222081.1568 165.9083 -2551.9685 -2501.8804 921491.4634 -2551.9685 -2501.8804
ENERGY: 273 20123.2137 18932.9079 5697.5118 183.8526 -334925.7009 21985.5295 0.0000 0.0000 45502.7162 -222499.9692 165.5264 -268002.6853 -222069.0455 165.5264 -1837.1975 -2434.6759 921491.4634 -1837.1975 -2434.6759
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ENERGY: 275 20005.4316 19374.0680 5703.3424 182.5376 -333318.5598 21960.8299 0.0000 0.0000 43741.9683 -222350.3821 159.1213 -266092.3503 -222065.7688 159.1213 -1269.7928 -2374.8868 921491.4634 -1269.7928 -2374.8868
ENERGY: 276 19401.8500 19594.7507 5701.2547 182.4904 -333292.1276 21971.0409 0.0000 0.0000 44028.5272 -222412.2137 160.1637 -266440.7409 -222072.9392 160.1637 -1580.1297 -2417.6040 921491.4634 -1580.1297 -2417.6040
ENERGY: 277 19149.2971 19724.7160 5695.5210 182.9396 -333864.3449 21997.2386 0.0000 0.0000 44632.8112 -222481.8215 162.3619 -267114.6326 -222061.0985 162.3619 -2311.7542 -2498.0545 921491.4634 -2311.7542 -2498.0545
ENERGY: 278 20199.4576 19713.7760 5686.9122 183.6585 -334821.0999 22041.3358 0.0000 0.0000 44532.2540 -222463.7058 161.9961 -266995.9598 -222063.4128 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3650 19593.9431 5677.5176 184.5187 -335888.5798 22096.4198 0.0000 0.0000 43975.0879 -222376.7276 159.9693 -266351.8156 -222065.2020 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 133.357, 0.470643/step Wall: 133.357, 0.470643/step, 0.0287615 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: 280 22859.3232 19458.4367 5670.0026 185.3899 -336752.6633 22145.1354 0.0000 0.0000 44066.7338 -222367.6417 160.3027 -266434.3755 -222073.4245 160.3027 -4286.3896 -2748.0546 921491.4634 -4286.3896 -2748.0546
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ENERGY: 282 20943.7900 19615.5379 5669.9796 186.8360 -336942.5034 22176.7654 0.0000 0.0000 45823.3369 -222526.2576 166.6927 -268349.5945 -222063.3314 166.6927 -2992.3273 -2779.3668 921491.4634 -2992.3273 -2779.3668
ENERGY: 283 20432.1061 19966.6615 5678.8137 187.1634 -336251.9200 22171.0648 0.0000 0.0000 45328.8520 -222487.2585 164.8939 -267816.1105 -222060.8458 164.8939 -2008.7737 -2748.2306 921491.4634 -2008.7737 -2748.2306
ENERGY: 284 20506.3998 20401.8822 5692.0830 187.1346 -335412.6297 22166.2909 0.0000 0.0000 44071.4480 -222387.3913 160.3198 -266458.8393 -222061.5538 160.3198 -1267.2790 -2712.3902 921491.4634 -1267.2790 -2712.3902
ENERGY: 285 20203.3286 20789.9628 5707.3564 186.7145 -334827.1962 22167.0165 0.0000 0.0000 43418.2631 -222354.5543 157.9437 -265772.8174 -222053.5965 157.9437 -1010.8436 -2700.0820 921491.4634 -1010.8436 -2700.0820
ENERGY: 286 19396.6308 20966.5622 5721.5031 185.8230 -334658.1145 22176.6863 0.0000 0.0000 43785.6882 -222425.2211 159.2803 -266210.9092 -222054.0581 159.2803 -1306.7501 -2717.2847 921491.4634 -1306.7501 -2717.2847
ENERGY: 287 19176.1189 20856.7822 5731.9346 184.4714 -334918.1477 22200.2910 0.0000 0.0000 44282.9438 -222485.6057 161.0892 -266768.5495 -222055.7251 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2088 20475.2850 5736.9557 182.7335 -335468.3146 22237.9037 0.0000 0.0000 44116.9904 -222455.2374 160.4855 -266572.2279 -222066.9052 160.4855 -3310.5880 -2790.1554 921491.4634 -3310.5880 -2790.1554
ENERGY: 289 21886.4835 19928.6978 5736.1905 180.7560 -336126.9121 22279.0690 0.0000 0.0000 43733.4513 -222382.2640 159.0903 -266115.7153 -222062.2723 159.0903 -4368.9816 -2809.8750 921491.4634 -4368.9816 -2809.8750
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 ============== 149.008
LDB: Largest compute 230 load 0.519365 is 1.1% of average load 45.729520
LDB: Average compute 0.064052 is 0.1% of average load 45.729520
LDB: TIME 149.01 LOAD: AVG 45.7295 MAX 47.1446 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.09 MB
LDB: TIME 149.01 LOAD: AVG 45.7295 MAX 47.1446 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.09 MB
LDB: TIME 149.027 LOAD: AVG 45.7295 MAX 46.2501 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.09 MB
LDB: ============== END OF LOAD BALANCING =============== 149.028
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 149.029
Info: Initial time: 4 CPUs 0.471145 s/step 5.45306 days/ns 3224.09 MB memory
TIMING: 300 CPU: 142.781, 0.471168/step Wall: 142.781, 0.471168/step, 0.026176 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: 151.999, 0.460902/step Wall: 151.999, 0.460902/step, 0.0230451 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: 161.211, 0.460626/step Wall: 161.211, 0.460626/step, 0.0204723 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: 170.418, 0.460348/step Wall: 170.418, 0.460348/step, 0.0179024 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: 179.619, 0.460044/step Wall: 179.619, 0.460044/step, 0.0153348 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: 387 20367.2861 19202.4845 5710.9354 174.6759 -335109.8724 22905.2741 0.0000 0.0000 44377.1819 -222372.0346 161.4320 -266749.2165 -222053.0046 161.4320 -738.9585 -2019.1689 921491.4634 -738.9585 -2019.1689
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 195.072
LDB: Largest compute 230 load 0.527191 is 1.2% of average load 45.687228
LDB: Average compute 0.063982 is 0.1% of average load 45.687228
LDB: TIME 195.074 LOAD: AVG 45.6872 MAX 46.0431 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.09 MB
LDB: TIME 195.075 LOAD: AVG 45.6872 MAX 46.0431 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.09 MB
LDB: TIME 195.075 LOAD: AVG 45.6872 MAX 46.0431 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.09 MB
LDB: ============== END OF LOAD BALANCING =============== 195.075
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.076
Info: Benchmark time: 4 CPUs 0.460364 s/step 5.32828 days/ns 3224.09 MB memory
TIMING: 400 CPU: 188.821, 0.460101/step Wall: 188.821, 0.460101/step, 0.0127806 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 19942.3170 20661.9895 5710.0857 195.6953 -336157.5852 23063.1712 0.0000 0.0000 44200.2845 -222384.0420 160.7885 -266584.3265 -222052.9643 160.7885 -282.7613 -2224.6897 921491.4634 -282.7613 -2224.6897
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ENERGY: 418 20154.6648 20457.0907 5705.5848 188.6536 -336970.7858 23098.6723 0.0000 0.0000 44915.1419 -222450.9778 163.3889 -267366.1196 -222046.7092 163.3889 -671.8548 -2269.9921 921491.4634 -671.8548 -2269.9921
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TIMING: 420 CPU: 197.996, 0.458733/step Wall: 197.996, 0.458733/step, 0.0101941 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 19598.5315 19595.2899 5707.1504 168.7509 -335498.4311 23074.5004 0.0000 0.0000 44915.2769 -222438.9309 163.3894 -267354.2079 -222048.7337 163.3894 -741.9009 -2207.6354 921491.4634 -741.9009 -2207.6354
ENERGY: 428 20140.4228 19760.4171 5710.4629 168.5259 -336199.9848 23087.7674 0.0000 0.0000 44884.2590 -222448.1297 163.2766 -267332.3887 -222058.0549 163.2766 -935.5733 -2206.9584 921491.4634 -935.5733 -2206.9584
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9876 20024.3737 5712.1700 168.1897 -338096.9202 23149.4491 0.0000 0.0000 44626.3095 -222402.4406 162.3382 -267028.7501 -222047.3914 162.3382 -2472.2458 -2268.0465 921491.4634 -2472.2458 -2268.0465
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ENERGY: 432 21768.3704 20188.6723 5710.3547 168.1086 -338651.2095 23176.0843 0.0000 0.0000 45177.9908 -222461.6284 164.3451 -267639.6192 -222065.9057 164.3451 -3350.2741 -2296.1497 921491.4634 -3350.2741 -2296.1497
ENERGY: 433 21200.9069 20275.9663 5710.3763 168.4633 -338164.0628 23162.2907 0.0000 0.0000 45192.9283 -222453.1310 164.3995 -267646.0593 -222052.5981 164.3995 -3187.3732 -2272.1276 921491.4634 -3187.3732 -2272.1276
ENERGY: 434 20730.3409 20338.1499 5711.6061 169.3247 -337394.2693 23140.7731 0.0000 0.0000 44883.0995 -222420.9750 163.2724 -267304.0745 -222051.1461 163.2724 -2694.3106 -2227.7885 921491.4634 -2694.3106 -2227.7885
ENERGY: 435 20235.2199 20362.4015 5714.0003 170.8455 -336680.6542 23123.4092 0.0000 0.0000 44675.9835 -222398.7943 162.5189 -267074.7778 -222049.5887 162.5189 -2061.3581 -2179.8951 921491.4634 -2061.3581 -2179.8951
ENERGY: 436 19670.9242 20349.9981 5717.2346 173.0864 -336303.8798 23119.9072 0.0000 0.0000 44847.0979 -222425.6316 163.1414 -267272.7294 -222059.6958 163.1414 -1520.6598 -2145.1617 921491.4634 -1520.6598 -2145.1617
ENERGY: 437 19434.5516 20329.5091 5720.9894 175.9827 -336411.9772 23136.3861 0.0000 0.0000 45159.2684 -222455.2899 164.2770 -267614.5583 -222050.7501 164.2770 -1319.1169 -2134.4849 921491.4634 -1319.1169 -2134.4849
ENERGY: 438 19935.1533 20278.6093 5724.6884 179.3848 -336899.4564 23173.5511 0.0000 0.0000 45148.1323 -222459.9372 164.2365 -267608.0695 -222051.5667 164.2365 -1493.0943 -2145.0882 921491.4634 -1493.0943 -2145.0882
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TIMING: 440 CPU: 207.163, 0.458375/step Wall: 207.163, 0.458375/step, 0.00763958 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 22071.5686 20036.2366 5729.7527 186.7201 -338123.1796 23276.2477 0.0000 0.0000 44417.5461 -222405.1078 161.5788 -266822.6539 -222059.4772 161.5788 -2408.4615 -2197.9673 921491.4634 -2408.4615 -2197.9673
ENERGY: 441 22355.5487 19860.0403 5730.3488 190.1145 -338361.1705 23313.2036 0.0000 0.0000 44502.6968 -222409.2178 161.8886 -266911.9146 -222050.0859 161.8886 -2716.1030 -2221.5315 921491.4634 -2716.1030 -2221.5315
ENERGY: 442 21853.6117 19664.5343 5729.4855 192.9411 -338090.1522 23327.1558 0.0000 0.0000 44880.6326 -222441.7912 163.2634 -267322.4238 -222049.7754 163.2634 -2710.5578 -2229.0698 921491.4634 -2710.5578 -2229.0698
ENERGY: 443 21064.3313 19487.0717 5727.6165 194.9329 -337369.3139 23320.0147 0.0000 0.0000 45118.1115 -222457.2353 164.1273 -267575.3468 -222048.5995 164.1273 -2448.1650 -2220.3533 921491.4634 -2448.1650 -2220.3533
ENERGY: 444 20449.3362 19357.2686 5725.4095 195.8735 -336464.1914 23301.5265 0.0000 0.0000 44987.7184 -222447.0588 163.6530 -267434.7772 -222057.9798 163.6530 -2090.2101 -2206.4402 921491.4634 -2090.2101 -2206.4402
ENERGY: 445 20125.5608 19307.2514 5723.6513 195.6942 -335759.3909 23283.8127 0.0000 0.0000 44708.7162 -222414.7041 162.6380 -267123.4204 -222046.5428 162.6380 -1846.9628 -2201.6929 921491.4634 -1846.9628 -2201.6929
ENERGY: 446 19947.6807 19324.9003 5722.5430 194.3235 -335494.5706 23276.0439 0.0000 0.0000 44620.2954 -222408.7839 162.3164 -267029.0793 -222046.1620 162.3164 -1800.7521 -2216.7297 921491.4634 -1800.7521 -2216.7297
ENERGY: 447 19914.2850 19416.0208 5722.2107 191.8641 -335769.4401 23282.7446 0.0000 0.0000 44816.5099 -222425.8050 163.0301 -267242.3149 -222046.8343 163.0301 -1993.3117 -2253.0607 921491.4634 -1993.3117 -2253.0607
ENERGY: 448 20187.5923 19583.6798 5722.5765 188.5554 -336503.1802 23303.8893 0.0000 0.0000 45065.6688 -222451.2182 163.9365 -267516.8870 -222059.3477 163.9365 -2372.1882 -2303.7901 921491.4634 -2372.1882 -2303.7901
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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 21754.4856 20108.1299 5724.4776 181.0897 -338419.3255 23364.6233 0.0000 0.0000 44854.3111 -222432.2083 163.1677 -267286.5194 -222048.7857 163.1677 -3116.6760 -2394.3898 921491.4634 -3116.6760 -2394.3898
ENERGY: 451 22355.5905 20357.7255 5724.7144 177.6517 -338952.0915 23381.7998 0.0000 0.0000 44542.7000 -222411.9097 162.0341 -266954.6097 -222048.8242 162.0341 -3074.2536 -2405.7799 921491.4634 -3074.2536 -2405.7799
ENERGY: 452 22246.2016 20536.0134 5723.8953 174.8859 -338927.1546 23378.0936 0.0000 0.0000 44452.9209 -222415.1439 161.7075 -266868.0647 -222059.6369 161.7075 -2659.9608 -2384.7570 921491.4634 -2659.9608 -2384.7570
ENERGY: 453 21399.8726 20641.1312 5722.2878 173.1350 -338392.7941 23354.5901 0.0000 0.0000 44683.7044 -222418.0730 162.5470 -267101.7774 -222043.5371 162.5470 -2048.3340 -2342.4670 921491.4634 -2048.3340 -2342.4670
ENERGY: 454 20248.3381 20654.1375 5720.2217 172.3637 -337567.1421 23320.6896 0.0000 0.0000 45008.1473 -222443.2441 163.7273 -267451.3914 -222041.8391 163.7273 -1453.4579 -2293.1452 921491.4634 -1453.4579 -2293.1452
ENERGY: 455 19486.7908 20584.7121 5718.4844 172.5169 -336790.6457 23290.4019 0.0000 0.0000 45086.5793 -222451.1602 164.0126 -267537.7395 -222040.8569 164.0126 -1151.8824 -2255.8572 921491.4634 -1151.8824 -2255.8572
ENERGY: 456 19493.3723 20440.6801 5717.7556 173.4248 -336350.1077 23274.9629 0.0000 0.0000 44811.4728 -222438.4393 163.0118 -267249.9120 -222055.3483 163.0118 -1305.5004 -2245.5823 921491.4634 -1305.5004 -2245.5823
ENERGY: 457 20047.4929 20251.9434 5718.5580 174.9241 -336395.8165 23277.8273 0.0000 0.0000 44521.8707 -222403.2000 161.9583 -266925.0707 -222049.4130 161.9583 -1906.4165 -2263.5013 921491.4634 -1906.4165 -2263.5013
ENERGY: 458 20585.8434 20019.2722 5720.7061 176.6081 -336835.0959 23294.7173 0.0000 0.0000 44632.7891 -222405.1596 162.3618 -267037.9488 -222051.2819 162.3618 -2684.6987 -2301.0426 921491.4634 -2684.6987 -2301.0426
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TIMING: 460 CPU: 216.321, 0.457904/step Wall: 216.321, 0.457904/step, 0.00508783 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 21262.6141 19597.9062 5728.0971 179.4910 -338014.3768 23341.8005 0.0000 0.0000 45423.8564 -222480.6115 165.2395 -267904.4679 -222064.6834 165.2395 -3669.8202 -2365.2411 921491.4634 -3669.8202 -2365.2411
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ENERGY: 462 22264.2256 19487.8110 5736.4822 180.9531 -337988.7171 23351.1092 0.0000 0.0000 44559.9287 -222408.2073 162.0968 -266968.1359 -222056.7212 162.0968 -2954.8198 -2323.4249 921491.4634 -2954.8198 -2323.4249
ENERGY: 463 21821.1789 19513.9017 5738.9361 181.1160 -337284.1029 23326.9485 0.0000 0.0000 44313.4566 -222388.5651 161.2002 -266702.0217 -222054.6240 161.2002 -2012.4421 -2264.0776 921491.4634 -2012.4421 -2264.0776
ENERGY: 464 20535.2458 19559.9274 5739.2518 181.0096 -336389.3844 23291.1951 0.0000 0.0000 44654.0261 -222428.7286 162.4391 -267082.7547 -222058.5730 162.4391 -1050.9224 -2205.5267 921491.4634 -1050.9224 -2205.5267
ENERGY: 465 19322.7826 19631.8857 5737.2898 180.7155 -335701.1539 23259.7402 0.0000 0.0000 45094.5681 -222474.1721 164.0416 -267568.7402 -222052.9389 164.0416 -512.3344 -2174.4007 921491.4634 -512.3344 -2174.4007
ENERGY: 466 19088.4510 19708.3584 5733.2107 180.2808 -335443.7733 23245.0615 0.0000 0.0000 45020.7901 -222467.6208 163.7733 -267488.4109 -222052.9787 163.7733 -630.3312 -2182.6709 921491.4634 -630.3312 -2182.6709
ENERGY: 467 19841.8069 19783.1745 5727.6704 179.7757 -335721.0961 23249.4543 0.0000 0.0000 44523.6660 -222415.5484 161.9649 -266939.2144 -222054.3496 161.9649 -1393.6027 -2232.5922 921491.4634 -1393.6027 -2232.5922
ENERGY: 468 20761.8481 19845.4944 5721.5089 179.2779 -336451.5675 23265.8139 0.0000 0.0000 44291.6581 -222385.9661 161.1209 -266677.6242 -222056.3589 161.1209 -2508.6711 -2314.1336 921491.4634 -2508.6711 -2314.1336
ENERGY: 469 21236.3016 19910.2023 5715.6824 178.8504 -337458.3213 23284.3977 0.0000 0.0000 44720.3198 -222412.5671 162.6802 -267132.8869 -222046.0748 162.6802 -3596.7403 -2405.7968 921491.4634 -3596.7403 -2405.7968
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1733 19972.8936 5710.9491 178.5947 -338383.2519 23297.0688 0.0000 0.0000 45346.4569 -222466.1155 164.9579 -267812.5724 -222047.6087 164.9579 -4259.6992 -2477.6827 921491.4634 -4259.6992 -2477.6827
ENERGY: 471 21732.8679 20054.6837 5707.9626 178.5890 -338913.2464 23297.5102 0.0000 0.0000 45471.3361 -222470.2969 165.4122 -267941.6330 -222047.5358 165.4122 -4290.5680 -2504.3171 921491.4634 -4290.5680 -2504.3171
ENERGY: 472 22081.2361 20161.5553 5707.0091 178.9047 -338870.6778 23279.4508 0.0000 0.0000 45028.5291 -222433.9926 163.8014 -267462.5218 -222059.5055 163.8014 -3659.7355 -2479.9179 921491.4634 -3659.7355 -2479.9179
ENERGY: 473 21866.1361 20289.3427 5707.9843 179.6165 -338307.7201 23240.7381 0.0000 0.0000 44634.5168 -222389.3857 162.3681 -267023.9025 -222043.8537 162.3681 -2556.3610 -2408.1652 921491.4634 -2556.3610 -2408.1652
ENERGY: 474 20842.9703 20372.0986 5710.2161 180.7466 -337438.4563 23189.2366 0.0000 0.0000 44733.2301 -222409.9579 162.7272 -267143.1880 -222041.2617 162.7272 -1295.5518 -2316.2723 921491.4634 -1295.5518 -2316.2723
ENERGY: 475 19674.2081 20371.7673 5712.9876 182.2512 -336604.2324 23142.3835 0.0000 0.0000 45070.2133 -222450.4214 163.9530 -267520.6347 -222039.4527 163.9530 -344.6443 -2232.2121 921491.4634 -344.6443 -2232.2121
ENERGY: 476 19235.7863 20282.0272 5715.7683 184.0125 -336100.0916 23115.8484 0.0000 0.0000 45106.0629 -222460.5859 164.0835 -267566.6488 -222053.6136 164.0835 -92.4044 -2183.0648 921491.4634 -92.4044 -2183.0648
ENERGY: 477 19704.7251 20145.9810 5718.4976 185.9230 -336101.8803 23114.2956 0.0000 0.0000 44812.3207 -222420.1373 163.0149 -267232.4579 -222044.8409 163.0149 -667.4941 -2171.8224 921491.4634 -667.4941 -2171.8224
ENERGY: 478 20493.4777 19974.7635 5721.0254 187.7262 -336537.4050 23131.2476 0.0000 0.0000 44627.0333 -222402.1313 162.3409 -267029.1645 -222047.4105 162.3409 -1807.1600 -2198.7952 921491.4634 -1807.1600 -2198.7952
ENERGY: 479 21125.3060 19793.3953 5723.3295 189.2099 -337215.5853 23156.6787 0.0000 0.0000 44802.1578 -222425.5081 162.9779 -267227.6658 -222050.5458 162.9779 -3089.8513 -2246.7914 921491.4634 -3089.8513 -2246.7914
TIMING: 480 CPU: 225.469, 0.457383/step Wall: 225.469, 0.457383/step, 0.00254102 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 21624.0330 19623.1962 5725.3111 190.1901 -337854.6803 23181.5132 0.0000 0.0000 45051.6814 -222458.7552 163.8856 -267510.4366 -222064.6211 163.8856 -4077.7327 -2291.4891 921491.4634 -4077.7327 -2291.4891
ENERGY: 481 22092.4857 19510.0432 5727.0953 190.6351 -338199.2499 23196.7972 0.0000 0.0000 45041.3369 -222440.8565 163.8480 -267482.1934 -222052.5267 163.8480 -4466.2394 -2305.6732 921491.4634 -4466.2394 -2305.6732
ENERGY: 482 22186.3468 19466.6794 5728.4964 190.3598 -338044.5436 23192.7487 0.0000 0.0000 44865.8523 -222414.0602 163.2096 -267279.9126 -222051.4114 163.2096 -4059.3098 -2278.0615 921491.4634 -4059.3098 -2278.0615
ENERGY: 483 21553.1414 19511.5745 5729.5660 189.3227 -337426.2204 23165.8753 0.0000 0.0000 44861.8973 -222414.8432 163.1953 -267276.7405 -222048.7674 163.1953 -2964.1722 -2216.4116 921491.4634 -2964.1722 -2216.4116
ENERGY: 484 20460.8928 19631.1940 5730.2465 187.5455 -336590.8897 23126.1363 0.0000 0.0000 45003.6034 -222451.2712 163.7107 -267454.8746 -222059.8737 163.7107 -1565.2421 -2143.1847 921491.4634 -1565.2421 -2143.1847
ENERGY: 485 19688.7724 19800.2992 5730.5256 185.2458 -335902.5879 23092.8482 0.0000 0.0000 44955.5726 -222449.3241 163.5360 -267404.8967 -222045.9601 163.5360 -422.1566 -2086.8733 921491.4634 -422.1566 -2086.8733
ENERGY: 486 19602.5430 19954.8177 5729.7198 182.4662 -335612.3580 23080.3818 0.0000 0.0000 44645.9118 -222416.5177 162.4096 -267062.4295 -222044.6756 162.4096 87.3184 -2070.0980 921491.4634 87.3184 -2070.0980
ENERGY: 487 19881.0927 20072.0214 5727.4348 179.4360 -335846.4494 23091.0554 0.0000 0.0000 44503.3497 -222392.0595 161.8910 -266895.4092 -222045.2402 161.8910 -192.2344 -2106.8838 921491.4634 -192.2344 -2106.8838
ENERGY: 488 20125.2100 20156.1362 5723.5441 176.4338 -336552.5469 23118.8626 0.0000 0.0000 44827.0560 -222425.3042 163.0685 -267252.3602 -222057.1939 163.0685 -1145.7534 -2194.6680 921491.4634 -1145.7534 -2194.6680
ENERGY: 489 20526.8874 20236.4610 5718.5749 173.8639 -337540.4670 23156.7319 0.0000 0.0000 45266.1006 -222461.8474 164.6656 -267727.9480 -222045.6086 164.6656 -2511.2405 -2316.7067 921491.4634 -2511.2405 -2316.7067
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7493 20292.9023 5712.8912 171.8438 -338458.1375 23196.4886 0.0000 0.0000 45213.5630 -222459.6994 164.4745 -267673.2624 -222048.2208 164.4745 -3823.4040 -2437.4155 921491.4634 -3823.4040 -2437.4155
ENERGY: 491 22430.4641 20312.1361 5707.3795 170.5404 -338984.5806 23226.0945 0.0000 0.0000 44733.0091 -222404.9569 162.7264 -267137.9660 -222049.4639 162.7264 -4629.6935 -2524.6215 921491.4634 -4629.6935 -2524.6215
ENERGY: 492 22612.9546 20289.6811 5702.9944 170.0207 -338937.5824 23232.7213 0.0000 0.0000 44542.1954 -222387.0149 162.0323 -266929.2103 -222060.3859 162.0323 -4606.8524 -2557.4728 921491.4634 -4606.8524 -2557.4728
ENERGY: 493 21558.2187 20260.7374 5700.7779 170.3200 -338358.0641 23214.0544 0.0000 0.0000 45033.8233 -222420.1325 163.8207 -267453.9557 -222046.5899 163.8207 -3796.3818 -2540.0995 921491.4634 -3796.3818 -2540.0995
ENERGY: 494 20068.3367 20225.0261 5700.9805 171.2193 -337454.3843 23183.0802 0.0000 0.0000 45622.2477 -222483.4938 165.9612 -268105.7415 -222044.0866 165.9612 -2500.8991 -2482.1068 921491.4634 -2500.8991 -2482.1068
ENERGY: 495 19383.2466 20186.8300 5703.5926 172.5416 -336566.9895 23159.4632 0.0000 0.0000 45484.1233 -222477.1924 165.4587 -267961.3156 -222041.5562 165.4587 -1249.6835 -2407.3055 921491.4634 -1249.6835 -2407.3055
ENERGY: 496 19722.4836 20130.6471 5708.0350 174.0933 -335998.7167 23154.2642 0.0000 0.0000 44699.5275 -222409.6660 162.6046 -267109.1935 -222049.0671 162.6046 -478.8996 -2343.4751 921491.4634 -478.8996 -2343.4751
ENERGY: 497 20212.6668 20059.9174 5713.4613 175.7242 -335952.5054 23166.3551 0.0000 0.0000 44261.0296 -222363.3511 161.0095 -266624.3807 -222042.7500 161.0095 -421.0231 -2316.7928 921491.4634 -421.0231 -2316.7928
ENERGY: 498 20182.0164 19957.1214 5718.5596 177.2604 -336366.4946 23189.3590 0.0000 0.0000 44728.2543 -222413.9234 162.7091 -267142.1777 -222044.5220 162.7091 -993.4679 -2331.6473 921491.4634 -993.4679 -2331.6473
ENERGY: 499 20158.0680 19847.7308 5722.4089 178.6361 -337058.4838 23219.2409 0.0000 0.0000 45439.2652 -222493.1339 165.2956 -267932.3991 -222047.2062 165.2956 -2020.8689 -2376.3391 921491.4634 -2020.8689 -2376.3391
Info: Benchmark time: 4 CPUs 0.457243 s/step 5.29216 days/ns 3224.09 MB memory
TIMING: 500 CPU: 234.546, 0.453826/step Wall: 234.546, 0.453826/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 20974.8940 19756.6583 5724.4523 179.8271 -337741.4203 23251.1013 0.0000 0.0000 45359.0785 -222495.4087 165.0039 -267854.4872 -222061.0905 165.0039 -3197.5168 -2425.4140 921491.4634 -3197.5168 -2425.4140
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, 3229.734 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.734 MB of memory in use
====================================================
WallClock: 241.687012 CPUTime: 241.687012 Memory: 3229.734375 MB
[Partition 0][Node 0] End of program
Application 1110384 resources: utime ~949s, stime ~19s, Rss ~126900, inblocks ~66551, outblocks ~71878
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.687012
CPU=241.687012
MEM=3229.734375
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 15 22:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 15 22:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 15 22:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 15 22:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189502 Dec 15 22:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505293 Dec 15 22:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 15 22:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 15 22:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 15 22:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 15 22:22 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 15 22:22 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 15 22:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 15 22:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 15 22:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 15 22:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 15 22:21 retest
drwxr-xr-x 12 bwjenkins BW_System 4096 Sep 8 2010 tcl8.5.9
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins14042240963419952929.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}
