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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 ============== 54.543
LDB: Largest compute 200 load 0.430521 is 1.2% of average load 36.706406
LDB: Average compute 0.051417 is 0.1% of average load 36.706406
LDB: Partitioning computes with target load 3.670641
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055625
LDB: ============== END OF LOAD BALANCING =============== 54.5451
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.546
Info: Initial time: 4 CPUs 0.472517 s/step 5.46894 days/ns 3221.4 MB memory
TIMING: 100 CPU: 48.2237, 0.471584/step Wall: 48.2237, 0.471584/step, 0.0523983 hours remaining, 3221.402344 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 ============== 63.9589
LDB: ============== END OF LOAD BALANCING =============== 63.959
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9594
TIMING: 120 CPU: 57.6355, 0.47059/step Wall: 57.6355, 0.47059/step, 0.0496734 hours remaining, 3221.531250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 140 CPU: 67.0409, 0.47027/step Wall: 67.0409, 0.47027/step, 0.047027 hours remaining, 3221.851562 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 160 CPU: 76.4354, 0.469723/step Wall: 76.4354, 0.469723/step, 0.0443628 hours remaining, 3222.007812 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 18508.1493 5697.2826 183.0024 -333202.6495 20887.8856 0.0000 0.0000 43070.6067 -222342.9104 156.6790 -265413.5171 -222161.4906 156.6790 -5004.1553 -2859.8870 921491.4634 -5004.1553 -2859.8870
ENERGY: 163 21937.9851 18346.8657 5696.1509 188.4544 -332368.8223 20884.6196 0.0000 0.0000 43005.6961 -222309.0504 156.4429 -265314.7466 -222160.7801 156.4429 -4776.8219 -2868.7270 921491.4634 -4776.8219 -2868.7270
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ENERGY: 168 21619.4182 19999.6889 5775.3367 206.4584 -333382.4928 20963.4338 0.0000 0.0000 42492.3351 -222325.8217 154.5754 -264818.1568 -222149.7708 154.5754 -1735.9905 -2933.5976 921491.4634 -1735.9905 -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 21917.7900 18733.9559 5737.6245 154.5770 -332975.2977 21015.2133 0.0000 0.0000 43101.1545 -222314.9825 156.7902 -265416.1370 -222126.1322 156.7902 -2936.2257 -2665.7683 921491.4634 -2936.2257 -2665.7683
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TIMING: 180 CPU: 85.8203, 0.469245/step Wall: 85.8203, 0.469245/step, 0.0417106 hours remaining, 3222.148438 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 -332240.0939 21043.7459 0.0000 0.0000 44391.5887 -222435.3691 161.4844 -266826.9579 -222129.2888 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2968 19471.4303 5678.7398 184.6336 -333156.1128 21076.9265 0.0000 0.0000 42449.0057 -222222.0801 154.4178 -264671.0858 -222130.9080 154.4178 -3641.8537 -2802.0867 921491.4634 -3641.8537 -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 19122.7580 5714.1451 184.7200 -332668.2732 21129.4588 0.0000 0.0000 42574.3654 -222242.4588 154.8738 -264816.8242 -222086.7181 154.8738 -3040.7437 -2596.5494 921491.4634 -3040.7437 -2596.5494
ENERGY: 198 21224.0061 18800.3005 5711.3574 186.3640 -333385.4998 21161.1534 0.0000 0.0000 43911.2863 -222391.0322 159.7372 -266302.3184 -222090.4393 159.7372 -4381.6809 -2646.7679 921491.4634 -4381.6809 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.53
LDB: Largest compute 200 load 0.425101 is 1.2% of average load 36.527132
LDB: Average compute 0.051161 is 0.1% of average load 36.527132
LDB: TIME 101.532 LOAD: AVG 36.5271 MAX 37.5705 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.5 MB
LDB: TIME 101.534 LOAD: AVG 36.5271 MAX 37.4675 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.5 MB
LDB: ============== END OF LOAD BALANCING =============== 101.536
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.539
Info: Initial time: 4 CPUs 0.469783 s/step 5.4373 days/ns 3223.88 MB memory
TIMING: 200 CPU: 95.2117, 0.46957/step Wall: 95.2117, 0.46957/step, 0.0391308 hours remaining, 3223.878906 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
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ENERGY: 202 23622.8116 18850.8450 5722.5980 192.1474 -334305.3006 21243.2752 0.0000 0.0000 42432.5587 -222241.0648 154.3580 -264673.6235 -222096.8292 154.3580 -3005.0518 -2588.0013 921491.4634 -3005.0518 -2588.0013
ENERGY: 203 20743.8945 19130.0390 5729.2400 192.0764 -333501.9373 21215.8254 0.0000 0.0000 44059.6985 -222431.1635 160.2771 -266490.8620 -222093.6428 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6125 19486.9556 5734.1463 191.2124 -332722.2201 21188.8403 0.0000 0.0000 45629.4718 -222628.9812 165.9875 -268258.4530 -222116.7005 165.9875 452.9932 -2462.2930 921491.4634 452.9932 -2462.2930
ENERGY: 205 18189.0791 19868.9414 5735.7153 189.6741 -332398.2553 21197.9186 0.0000 0.0000 44690.7148 -222526.2120 162.5725 -267216.9268 -222099.8063 162.5725 731.8534 -2447.6354 921491.4634 731.8534 -2447.6354
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ENERGY: 208 20293.2703 20371.8903 5718.1572 182.8654 -334789.2377 21322.2411 0.0000 0.0000 44428.6269 -222472.1864 161.6191 -266900.8134 -222122.6313 161.6191 -3669.0642 -2719.7951 921491.4634 -3669.0642 -2719.7951
ENERGY: 209 19428.8172 20325.0059 5710.3389 180.5135 -335910.2413 21349.5045 0.0000 0.0000 46273.6800 -222642.3814 168.3309 -268916.0614 -222106.7899 168.3309 -5197.7273 -2836.6305 921491.4634 -5197.7273 -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 21385.1735 20194.2569 5705.3139 178.4614 -336615.7767 21385.1097 0.0000 0.0000 45251.4333 -222516.0281 164.6123 -267767.4614 -222108.2015 164.6123 -6091.3662 -2896.2626 921491.4634 -6091.3662 -2896.2626
ENERGY: 211 24099.1928 19985.8632 5704.9373 176.9105 -336667.8927 21415.1478 0.0000 0.0000 43031.7285 -222254.1127 156.5376 -265285.8412 -222106.8540 156.5376 -5900.2976 -2885.1009 921491.4634 -5900.2976 -2885.1009
ENERGY: 212 23739.2709 19730.8223 5710.0295 176.0352 -336013.6228 21412.5984 0.0000 0.0000 42995.1638 -222249.7027 156.4046 -265244.8665 -222104.2320 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2160 19524.5249 5720.1722 175.9508 -334874.6445 21380.5553 0.0000 0.0000 45418.7805 -222504.4448 165.2210 -267923.2253 -222097.3836 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5530 19421.7448 5733.3059 176.6827 -333645.3939 21358.4486 0.0000 0.0000 46958.4702 -222681.1886 170.8220 -269639.6588 -222093.7408 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5057 19441.9744 5746.5772 178.1492 -332787.3325 21379.5597 0.0000 0.0000 45302.6745 -222527.8918 164.7987 -267830.5663 -222091.0448 164.7987 784.0014 -2554.0368 921491.4634 784.0014 -2554.0368
ENERGY: 216 20973.4718 19522.5062 5756.9571 180.1770 -332560.1066 21436.4837 0.0000 0.0000 42442.1788 -222248.3321 154.3930 -264690.5108 -222073.6159 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3867 19581.4820 5762.2416 182.5517 -333010.6762 21497.2707 0.0000 0.0000 41983.6750 -222225.0685 152.7251 -264208.7436 -222064.4467 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9157 19540.0891 5761.2415 184.9927 -333856.1151 21546.6562 0.0000 0.0000 44178.6836 -222478.5363 160.7099 -266657.2199 -222068.8158 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
ENERGY: 219 19429.8641 19413.3931 5754.3577 187.2447 -334778.0712 21596.8809 0.0000 0.0000 45751.9296 -222644.4010 166.4329 -268396.3306 -222073.1723 166.4329 -4457.7332 -2810.5237 921491.4634 -4457.7332 -2810.5237
TIMING: 220 CPU: 104.616, 0.470235/step Wall: 104.616, 0.470235/step, 0.0365739 hours remaining, 3223.878906 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: 220 21580.9145 19260.1136 5743.1672 189.1021 -335473.8433 21655.3185 0.0000 0.0000 44539.5738 -222505.6537 162.0227 -267045.2275 -222092.6291 162.0227 -5898.3511 -2876.6577 921491.4634 -5898.3511 -2876.6577
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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: 114.013, 0.469856/step Wall: 114.013, 0.469856/step, 0.033934 hours remaining, 3223.878906 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
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ENERGY: 242 22110.7717 20111.8208 5758.5348 169.0441 -335904.8197 21831.0568 0.0000 0.0000 43526.8721 -222396.7194 158.3388 -265923.5915 -222063.5735 158.3388 -4623.1690 -2633.0913 921491.4634 -4623.1690 -2633.0913
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ENERGY: 246 20878.5481 19853.7024 5716.8932 174.1558 -334213.1206 21705.0851 0.0000 0.0000 43600.4184 -222284.3175 158.6063 -265884.7359 -222067.4293 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5287 19979.6440 5712.7400 177.5412 -334802.1842 21719.8455 0.0000 0.0000 44912.1913 -222431.6934 163.3782 -267343.8848 -222068.1391 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4925 20164.4297 5713.8450 181.3144 -335623.1354 21746.4311 0.0000 0.0000 46185.9363 -222595.6864 168.0117 -268781.6226 -222090.3126 168.0117 -1359.1245 -2608.3066 921491.4634 -1359.1245 -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 -336093.2678 21826.9296 0.0000 0.0000 43905.3722 -222425.8456 159.7157 -266331.2177 -222091.3305 159.7157 -3843.4682 -2758.0338 921491.4634 -3843.4682 -2758.0338
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TIMING: 260 CPU: 123.401, 0.46938/step Wall: 123.401, 0.46938/step, 0.031292 hours remaining, 3224.183594 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 20140.5622 5703.8103 187.9445 -335614.9714 21924.4741 0.0000 0.0000 45349.7771 -222527.2803 164.9700 -267877.0574 -222051.1546 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2261 20436.4306 5710.6950 187.5052 -334855.9514 21907.7773 0.0000 0.0000 44751.4784 -222476.8389 162.7936 -267228.3172 -222069.1983 162.7936 -2191.1927 -2723.5293 921491.4634 -2191.1927 -2723.5293
ENERGY: 265 19946.8416 20681.9926 5713.6241 187.4392 -334395.6635 21906.0164 0.0000 0.0000 43607.6375 -222352.1121 158.6326 -265959.7495 -222054.3372 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7899 20788.8701 5712.1327 187.6137 -334399.4580 21914.4806 0.0000 0.0000 43399.3797 -222348.1912 157.8750 -265747.5710 -222054.3634 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0906 20691.2679 5707.0583 187.8501 -334831.4858 21930.8375 0.0000 0.0000 44220.2169 -222446.1646 160.8610 -266666.3814 -222055.6585 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9161 20375.7516 5700.1930 187.9286 -335513.7451 21959.1258 0.0000 0.0000 44823.5377 -222504.2923 163.0557 -267327.8300 -222075.9874 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 22620.1933 19450.9167 5690.3173 187.1618 -336650.6777 22028.8071 0.0000 0.0000 44308.0077 -222365.2737 161.1804 -266673.2814 -222067.0433 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
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ENERGY: 272 21021.5585 18896.0662 5692.8269 184.9335 -335921.4617 22015.0581 0.0000 0.0000 45607.7077 -222503.3108 165.9083 -268111.0185 -222081.1570 165.9083 -2551.9684 -2501.8805 921491.4634 -2551.9684 -2501.8805
ENERGY: 273 20123.2138 18932.9081 5697.5117 183.8526 -334925.7015 21985.5297 0.0000 0.0000 45502.7161 -222499.9693 165.5264 -268002.6854 -222069.0457 165.5264 -1837.1976 -2434.6760 921491.4634 -1837.1976 -2434.6760
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ENERGY: 276 19401.8502 19594.7508 5701.2546 182.4904 -333292.1284 21971.0411 0.0000 0.0000 44028.5273 -222412.2139 160.1637 -266440.7412 -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 21997.2389 0.0000 0.0000 44632.8113 -222481.8216 162.3619 -267114.6329 -222061.0987 162.3619 -2311.7544 -2498.0544 921491.4634 -2311.7544 -2498.0544
ENERGY: 278 20199.4578 19713.7759 5686.9122 183.6585 -334821.1006 22041.3361 0.0000 0.0000 44532.2542 -222463.7060 161.9961 -266995.9602 -222063.4130 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3649 19593.9430 5677.5176 184.5187 -335888.5803 22096.4201 0.0000 0.0000 43975.0883 -222376.7278 159.9693 -266351.8160 -222065.2022 159.9693 -4044.3212 -2682.8389 921491.4634 -4044.3212 -2682.8389
TIMING: 280 CPU: 132.771, 0.468483/step Wall: 132.771, 0.468483/step, 0.0286295 hours remaining, 3224.183594 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 282 20943.7900 19615.5378 5669.9796 186.8360 -336942.5039 22176.7657 0.0000 0.0000 45823.3372 -222526.2576 166.6927 -268349.5948 -222063.3315 166.6927 -2992.3271 -2779.3667 921491.4634 -2992.3271 -2779.3667
ENERGY: 283 20432.1063 19966.6615 5678.8137 187.1634 -336251.9206 22171.0651 0.0000 0.0000 45328.8521 -222487.2585 164.8939 -267816.1107 -222060.8458 164.8939 -2008.7736 -2748.2305 921491.4634 -2008.7736 -2748.2305
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ENERGY: 285 20203.3287 20789.9630 5707.3565 186.7145 -334827.1970 22167.0168 0.0000 0.0000 43418.2633 -222354.5543 157.9437 -265772.8176 -222053.5964 157.9437 -1010.8437 -2700.0819 921491.4634 -1010.8437 -2700.0819
ENERGY: 286 19396.6309 20966.5623 5721.5031 185.8230 -334658.1152 22176.6866 0.0000 0.0000 43785.6883 -222425.2210 159.2803 -266210.9093 -222054.0580 159.2803 -1306.7501 -2717.2846 921491.4634 -1306.7501 -2717.2846
ENERGY: 287 19176.1191 20856.7824 5731.9346 184.4714 -334918.1483 22200.2913 0.0000 0.0000 44282.9438 -222485.6057 161.0892 -266768.5495 -222055.7251 161.0892 -2148.9612 -2753.3343 921491.4634 -2148.9612 -2753.3343
ENERGY: 288 20263.2089 20475.2852 5736.9557 182.7335 -335468.3150 22237.9040 0.0000 0.0000 44116.9905 -222455.2373 160.4855 -266572.2277 -222066.9050 160.4855 -3310.5878 -2790.1552 921491.4634 -3310.5878 -2790.1552
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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: 290 22615.9843 19325.5266 5730.3279 178.6973 -336571.4576 22308.2177 0.0000 0.0000 44027.4236 -222385.2800 160.1597 -266412.7036 -222063.4681 160.1597 -4815.3285 -2796.0389 921491.4634 -4815.3285 -2796.0389
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LDB: ============= START OF LOAD BALANCING ============== 148.482
LDB: Largest compute 200 load 0.521141 is 1.1% of average load 45.627122
LDB: Average compute 0.063910 is 0.1% of average load 45.627122
LDB: TIME 148.484 LOAD: AVG 45.6271 MAX 46.9431 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.38 MB
LDB: TIME 148.484 LOAD: AVG 45.6271 MAX 46.9431 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.38 MB
LDB: TIME 148.5 LOAD: AVG 45.6271 MAX 46.1454 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.38 MB
LDB: ============== END OF LOAD BALANCING =============== 148.501
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.503
Info: Initial time: 4 CPUs 0.469132 s/step 5.42976 days/ns 3224.38 MB memory
TIMING: 300 CPU: 142.146, 0.468754/step Wall: 142.146, 0.468754/step, 0.0260419 hours remaining, 3224.382812 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: 151.352, 0.460326/step Wall: 151.352, 0.460326/step, 0.0230163 hours remaining, 3224.382812 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: 327 20020.7820 19506.2794 5669.7116 187.2139 -334851.2529 22513.0146 0.0000 0.0000 44550.7426 -222403.5088 162.0634 -266954.2514 -222059.8759 162.0634 -657.4989 -2506.5013 921491.4634 -657.4989 -2506.5013
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 337 20420.1632 19649.7061 5693.3319 179.7347 -334824.3557 22536.4223 0.0000 0.0000 43995.6000 -222349.3975 160.0439 -266344.9974 -222040.1023 160.0439 -1064.7181 -2460.5859 921491.4634 -1064.7181 -2460.5859
ENERGY: 338 21007.5744 19722.4642 5687.5590 179.5437 -335808.8620 22564.1945 0.0000 0.0000 44285.9175 -222361.6087 161.1000 -266647.5261 -222041.5956 161.1000 -1500.9497 -2462.8575 921491.4634 -1500.9497 -2462.8575
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TIMING: 340 CPU: 160.549, 0.459852/step Wall: 160.549, 0.459852/step, 0.0204379 hours remaining, 3224.382812 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: 347 20669.8294 19583.9410 5696.3949 182.8447 -334881.4383 22581.1983 0.0000 0.0000 43831.1327 -222336.0974 159.4456 -266167.2301 -222056.9472 159.4456 -1358.8144 -2194.9212 921491.4634 -1358.8144 -2194.9212
ENERGY: 348 21062.2470 19315.9903 5689.3479 182.7918 -335425.6669 22604.2202 0.0000 0.0000 44195.9877 -222375.0821 160.7729 -266571.0698 -222064.0949 160.7729 -1766.2765 -2218.9157 921491.4634 -1766.2765 -2218.9157
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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: 352 22912.9251 19180.1282 5672.7329 182.2243 -336794.7860 22708.6921 0.0000 0.0000 43795.3993 -222342.6840 159.3156 -266138.0833 -222059.3896 159.3156 -3190.0137 -2394.0289 921491.4634 -3190.0137 -2394.0289
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ENERGY: 356 19622.4370 20015.8110 5694.4280 181.9402 -334758.7695 22674.4080 0.0000 0.0000 44153.0888 -222416.6565 160.6168 -266569.7453 -222053.0961 160.6168 -1622.0261 -2446.8265 921491.4634 -1622.0261 -2446.8265
ENERGY: 357 20687.2711 20255.1056 5697.1707 182.0215 -335288.0651 22700.2950 0.0000 0.0000 43438.0181 -222328.1830 158.0156 -265766.2011 -222042.2329 158.0156 -2061.3606 -2486.6662 921491.4634 -2061.3606 -2486.6662
ENERGY: 358 20785.4066 20424.8430 5696.9832 182.1295 -336225.9485 22730.2420 0.0000 0.0000 44019.5827 -222386.7615 160.1311 -266406.3442 -222043.9944 160.1311 -2636.8581 -2541.3593 921491.4634 -2636.8581 -2541.3593
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TIMING: 360 CPU: 169.743, 0.459671/step Wall: 169.743, 0.459671/step, 0.0178761 hours remaining, 3224.382812 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: 364 19323.8975 19612.6013 5699.8913 181.0103 -336175.2003 22790.5194 0.0000 0.0000 46034.3493 -222532.9312 167.4603 -268567.2805 -222068.5917 167.4603 -1420.0424 -2476.3757 921491.4634 -1420.0424 -2476.3757
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ENERGY: 368 20561.5938 19748.2118 5739.6691 179.8275 -335728.0877 22808.6653 0.0000 0.0000 44272.8411 -222417.2792 161.0524 -266690.1202 -222068.2910 161.0524 -2928.4886 -2487.3069 921491.4634 -2928.4886 -2487.3069
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 377 20646.4607 20251.1593 5706.5521 182.3248 -335763.5805 22794.3774 0.0000 0.0000 43848.2758 -222334.4302 159.5080 -266182.7061 -222041.4013 159.5080 -1819.5856 -2472.4985 921491.4634 -1819.5856 -2472.4985
ENERGY: 378 20473.8099 20495.6595 5711.4639 183.2952 -336584.2284 22821.5838 0.0000 0.0000 44474.7540 -222423.6621 161.7869 -266898.4161 -222044.3967 161.7869 -2972.9873 -2523.3498 921491.4634 -2972.9873 -2523.3498
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TIMING: 380 CPU: 178.929, 0.45929/step Wall: 178.929, 0.45929/step, 0.0153097 hours remaining, 3224.382812 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: 383 21263.6994 19910.9247 5714.6670 180.7420 -337128.0232 22911.2846 0.0000 0.0000 44707.9446 -222438.7610 162.6352 -267146.7056 -222048.1879 162.6352 -2023.0802 -2294.0131 921491.4634 -2023.0802 -2294.0131
ENERGY: 384 19625.4114 19596.0354 5710.5349 179.0647 -336052.0490 22884.2535 0.0000 0.0000 45539.1834 -222517.5657 165.6590 -268056.7491 -222062.0925 165.6590 -569.2378 -2166.9357 921491.4634 -569.2378 -2166.9357
ENERGY: 385 19327.8181 19356.8912 5707.7751 177.4354 -335210.6403 22871.6145 0.0000 0.0000 45299.7171 -222469.3888 164.7879 -267769.1060 -222051.0992 164.7879 215.3517 -2064.3636 921491.4634 215.3517 -2064.3636
ENERGY: 386 19981.2272 19220.9464 5707.6637 175.9384 -334865.1818 22880.7959 0.0000 0.0000 44519.8587 -222378.7515 161.9510 -266898.6102 -222051.0436 161.9510 122.6672 -2011.2427 921491.4634 122.6672 -2011.2427
ENERGY: 387 20367.2859 19202.4844 5710.9354 174.6759 -335109.8727 22905.2745 0.0000 0.0000 44377.1817 -222372.0348 161.4320 -266749.2166 -222053.0049 161.4320 -738.9583 -2019.1688 921491.4634 -738.9583 -2019.1688
ENERGY: 388 20282.3987 19280.0167 5717.2934 173.7038 -335824.1522 22938.2901 0.0000 0.0000 44972.7762 -222459.6732 163.5986 -267432.4494 -222067.4818 163.5986 -2063.8554 -2076.2822 921491.4634 -2063.8554 -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 19692.8116 20133.3594 5716.9814 176.0456 -336812.3382 23014.0586 0.0000 0.0000 45592.7322 -222486.3494 165.8538 -268079.0817 -222045.7220 165.8538 -1710.2235 -2443.6964 921491.4634 -1710.2235 -2443.6964
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LDB: ============= START OF LOAD BALANCING ============== 194.475
LDB: Largest compute 230 load 0.527279 is 1.2% of average load 45.538259
LDB: Average compute 0.063761 is 0.1% of average load 45.538259
LDB: TIME 194.477 LOAD: AVG 45.5383 MAX 45.9725 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.38 MB
LDB: TIME 194.478 LOAD: AVG 45.5383 MAX 45.9725 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.38 MB
LDB: TIME 194.478 LOAD: AVG 45.5383 MAX 45.9725 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.38 MB
LDB: ============== END OF LOAD BALANCING =============== 194.478
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.479
Info: Benchmark time: 4 CPUs 0.459669 s/step 5.32024 days/ns 3224.38 MB memory
TIMING: 400 CPU: 188.117, 0.459414/step Wall: 188.117, 0.459414/step, 0.0127615 hours remaining, 3224.382812 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 402 22444.0480 19835.9107 5715.8942 173.8391 -338107.6289 23109.6379 0.0000 0.0000 44436.8099 -222391.4890 161.6489 -266828.2989 -222049.2226 161.6489 -4939.3796 -2681.7024 921491.4634 -4939.3796 -2681.7024
ENERGY: 403 20784.9695 19778.4826 5715.7218 174.2695 -337239.9784 23077.8403 0.0000 0.0000 45225.5963 -222483.0984 164.5183 -267708.6947 -222046.6854 164.5183 -3613.5978 -2605.7428 921491.4634 -3613.5978 -2605.7428
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ENERGY: 408 19735.8471 19387.6641 5692.2151 187.5226 -335902.8217 23017.8174 0.0000 0.0000 45394.4122 -222487.3431 165.1324 -267881.7553 -222063.5310 165.1324 -920.8281 -2294.1555 921491.4634 -920.8281 -2294.1555
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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: 413 21130.1418 20138.5247 5699.9334 199.7191 -337872.5323 23125.1117 0.0000 0.0000 45113.2147 -222465.8869 164.1095 -267579.1016 -222055.3453 164.1095 -3850.6270 -2398.9549 921491.4634 -3850.6270 -2398.9549
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ENERGY: 416 19942.3169 20661.9898 5710.0857 195.6954 -336157.5866 23063.1716 0.0000 0.0000 44200.2853 -222384.0420 160.7885 -266584.3273 -222052.9643 160.7885 -282.7612 -2224.6897 921491.4634 -282.7612 -2224.6897
ENERGY: 417 20031.3749 20631.3212 5709.0494 192.4696 -336373.1081 23072.1099 0.0000 0.0000 44338.4622 -222398.3209 161.2911 -266736.7831 -222044.6993 161.2911 -112.4552 -2227.1699 921491.4634 -112.4552 -2227.1699
ENERGY: 418 20154.6650 20457.0913 5705.5847 188.6536 -336970.7875 23098.6727 0.0000 0.0000 44915.1424 -222450.9778 163.3889 -267366.1202 -222046.7092 163.3889 -671.8546 -2269.9921 921491.4634 -671.8546 -2269.9921
ENERGY: 419 20790.7635 20185.5527 5700.4810 184.6055 -337717.8764 23139.8024 0.0000 0.0000 45250.3102 -222466.3613 164.6082 -267716.6714 -222049.5950 164.6082 -1783.9423 -2336.6465 921491.4634 -1783.9423 -2336.6465
TIMING: 420 CPU: 197.278, 0.458038/step Wall: 197.278, 0.458038/step, 0.0101786 hours remaining, 3224.382812 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: 424 20531.3310 19270.7816 5692.6542 170.6563 -336406.2765 23140.4647 0.0000 0.0000 45151.0458 -222449.3429 164.2471 -267600.3887 -222060.4125 164.2471 -3030.1606 -2370.2032 921491.4634 -3030.1606 -2370.2032
ENERGY: 425 19942.3360 19314.5608 5697.3263 169.6876 -335607.5206 23103.7921 0.0000 0.0000 44956.0482 -222423.7695 163.5377 -267379.8177 -222050.7961 163.5377 -1980.9650 -2297.0088 921491.4634 -1980.9650 -2297.0088
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ENERGY: 428 20140.4230 19760.4170 5710.4628 168.5259 -336199.9856 23087.7679 0.0000 0.0000 44884.2594 -222448.1296 163.2766 -267332.3890 -222058.0548 163.2766 -935.5731 -2206.9583 921491.4634 -935.5731 -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
ENERGY: 430 22013.9876 20024.3737 5712.1700 168.1897 -338096.9209 23149.4494 0.0000 0.0000 44626.3100 -222402.4405 162.3383 -267028.7505 -222047.3914 162.3383 -2472.2456 -2268.0463 921491.4634 -2472.2456 -2268.0463
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ENERGY: 432 21768.3705 20188.6724 5710.3546 168.1086 -338651.2106 23176.0847 0.0000 0.0000 45177.9911 -222461.6286 164.3451 -267639.6197 -222065.9059 164.3451 -3350.2741 -2296.1496 921491.4634 -3350.2741 -2296.1496
ENERGY: 433 21200.9073 20275.9664 5710.3763 168.4633 -338164.0640 23162.2912 0.0000 0.0000 45192.9283 -222453.1312 164.3995 -267646.0595 -222052.5983 164.3995 -3187.3731 -2272.1275 921491.4634 -3187.3731 -2272.1275
ENERGY: 434 20730.3413 20338.1501 5711.6061 169.3247 -337394.2706 23140.7736 0.0000 0.0000 44883.0995 -222420.9752 163.2724 -267304.0747 -222051.1463 163.2724 -2694.3105 -2227.7884 921491.4634 -2694.3105 -2227.7884
ENERGY: 435 20235.2200 20362.4018 5714.0003 170.8455 -336680.6556 23123.4098 0.0000 0.0000 44675.9837 -222398.7945 162.5190 -267074.7782 -222049.5889 162.5190 -2061.3580 -2179.8950 921491.4634 -2061.3580 -2179.8950
ENERGY: 436 19670.9240 20349.9985 5717.2345 173.0864 -336303.8813 23119.9079 0.0000 0.0000 44847.0982 -222425.6317 163.1414 -267272.7299 -222059.6959 163.1414 -1520.6596 -2145.1616 921491.4634 -1520.6596 -2145.1616
ENERGY: 437 19434.5515 20329.5096 5720.9893 175.9827 -336411.9787 23136.3869 0.0000 0.0000 45159.2686 -222455.2901 164.2770 -267614.5587 -222050.7503 164.2770 -1319.1168 -2134.4848 921491.4634 -1319.1168 -2134.4848
ENERGY: 438 19935.1534 20278.6098 5724.6883 179.3849 -336899.4581 23173.5521 0.0000 0.0000 45148.1322 -222459.9374 164.2365 -267608.0696 -222051.5668 164.2365 -1493.0941 -2145.0881 921491.4634 -1493.0941 -2145.0881
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TIMING: 440 CPU: 206.431, 0.457679/step Wall: 206.431, 0.457679/step, 0.00762799 hours remaining, 3224.382812 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 186.7202 -338123.1814 23276.2488 0.0000 0.0000 44417.5460 -222405.1079 161.5788 -266822.6539 -222059.4773 161.5788 -2408.4615 -2197.9672 921491.4634 -2408.4615 -2197.9672
ENERGY: 441 22355.5488 19860.0409 5730.3487 190.1146 -338361.1723 23313.2047 0.0000 0.0000 44502.6967 -222409.2179 161.8886 -266911.9146 -222050.0859 161.8886 -2716.1030 -2221.5315 921491.4634 -2716.1030 -2221.5315
ENERGY: 442 21853.6119 19664.5349 5729.4854 192.9412 -338090.1539 23327.1570 0.0000 0.0000 44880.6322 -222441.7913 163.2634 -267322.4235 -222049.7755 163.2634 -2710.5578 -2229.0697 921491.4634 -2710.5578 -2229.0697
ENERGY: 443 21064.3317 19487.0723 5727.6164 194.9329 -337369.3155 23320.0160 0.0000 0.0000 45118.1108 -222457.2354 164.1273 -267575.3462 -222048.5995 164.1273 -2448.1650 -2220.3532 921491.4634 -2448.1650 -2220.3532
ENERGY: 444 20449.3363 19357.2690 5725.4095 195.8735 -336464.1926 23301.5278 0.0000 0.0000 44987.7177 -222447.0588 163.6530 -267434.7765 -222057.9797 163.6530 -2090.2099 -2206.4400 921491.4634 -2090.2099 -2206.4400
ENERGY: 445 20125.5607 19307.2517 5723.6513 195.6942 -335759.3917 23283.8141 0.0000 0.0000 44708.7155 -222414.7041 162.6380 -267123.4197 -222046.5428 162.6380 -1846.9626 -2201.6926 921491.4634 -1846.9626 -2201.6926
ENERGY: 446 19947.6803 19324.9005 5722.5429 194.3235 -335494.5712 23276.0453 0.0000 0.0000 44620.2947 -222408.7839 162.3164 -267029.0785 -222046.1620 162.3164 -1800.7518 -2216.7294 921491.4634 -1800.7518 -2216.7294
ENERGY: 447 19914.2849 19416.0209 5722.2107 191.8641 -335769.4405 23282.7460 0.0000 0.0000 44816.5089 -222425.8050 163.0301 -267242.3139 -222046.8343 163.0301 -1993.3113 -2253.0604 921491.4634 -1993.3113 -2253.0604
ENERGY: 448 20187.5924 19583.6799 5722.5764 188.5554 -336503.1805 23303.8907 0.0000 0.0000 45065.6674 -222451.2183 163.9365 -267516.8857 -222059.3479 163.9365 -2372.1878 -2303.7898 921491.4634 -2372.1878 -2303.7898
ENERGY: 449 20877.4063 19832.6985 5723.5712 184.8596 -337500.9077 23334.5925 0.0000 0.0000 45101.1678 -222446.6117 164.0657 -267547.7795 -222047.7097 164.0657 -2827.1082 -2356.1407 921491.4634 -2827.1082 -2356.1407
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 23364.6245 0.0000 0.0000 44854.3097 -222432.2084 163.1677 -267286.5182 -222048.7858 163.1677 -3116.6757 -2394.3896 921491.4634 -3116.6757 -2394.3896
ENERGY: 451 22355.5903 20357.7255 5724.7144 177.6517 -338952.0913 23381.8009 0.0000 0.0000 44542.6987 -222411.9098 162.0341 -266954.6086 -222048.8244 162.0341 -3074.2533 -2405.7797 921491.4634 -3074.2533 -2405.7797
ENERGY: 452 22246.2016 20536.0135 5723.8953 174.8859 -338927.1546 23378.0946 0.0000 0.0000 44452.9196 -222415.1442 161.7075 -266868.0638 -222059.6373 161.7075 -2659.9607 -2384.7569 921491.4634 -2659.9607 -2384.7569
ENERGY: 453 21399.8727 20641.1313 5722.2878 173.1350 -338392.7942 23354.5910 0.0000 0.0000 44683.7031 -222418.0733 162.5470 -267101.7764 -222043.5374 162.5470 -2048.3340 -2342.4669 921491.4634 -2048.3340 -2342.4669
ENERGY: 454 20248.3381 20654.1377 5720.2217 172.3637 -337567.1423 23320.6904 0.0000 0.0000 45008.1463 -222443.2444 163.7273 -267451.3907 -222041.8394 163.7273 -1453.4579 -2293.1451 921491.4634 -1453.4579 -2293.1451
ENERGY: 455 19486.7905 20584.7123 5718.4844 172.5169 -336790.6461 23290.4026 0.0000 0.0000 45086.5787 -222451.1606 164.0126 -267537.7393 -222040.8573 164.0126 -1151.8824 -2255.8573 921491.4634 -1151.8824 -2255.8573
ENERGY: 456 19493.3720 20440.6803 5717.7556 173.4248 -336350.1081 23274.9633 0.0000 0.0000 44811.4726 -222438.4394 163.0118 -267249.9120 -222055.3485 163.0118 -1305.5002 -2245.5822 921491.4634 -1305.5002 -2245.5822
ENERGY: 457 20047.4929 20251.9436 5718.5580 174.9241 -336395.8171 23277.8276 0.0000 0.0000 44521.8706 -222403.2002 161.9583 -266925.0708 -222049.4132 161.9583 -1906.4163 -2263.5011 921491.4634 -1906.4163 -2263.5011
ENERGY: 458 20585.8436 20019.2723 5720.7061 176.6081 -336835.0966 23294.7175 0.0000 0.0000 44632.7892 -222405.1598 162.3618 -267037.9490 -222051.2821 162.3618 -2684.6986 -2301.0426 921491.4634 -2684.6986 -2301.0426
ENERGY: 459 20903.4947 19784.9689 5724.0021 178.1985 -337468.1651 23318.6984 0.0000 0.0000 45113.9373 -222444.8652 164.1121 -267558.8024 -222053.1410 164.1121 -3350.5832 -2341.5795 921491.4634 -3350.5832 -2341.5795
TIMING: 460 CPU: 215.578, 0.457351/step Wall: 215.578, 0.457351/step, 0.00508168 hours remaining, 3224.382812 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6140 19597.9063 5728.0972 179.4910 -338014.3774 23341.8003 0.0000 0.0000 45423.8572 -222480.6115 165.2395 -267904.4687 -222064.6834 165.2395 -3669.8203 -2365.2412 921491.4634 -3669.8203 -2365.2412
ENERGY: 461 21862.8764 19507.1075 5732.5753 180.4333 -338251.6222 23355.3936 0.0000 0.0000 45154.6145 -222458.6218 164.2601 -267613.2362 -222058.0505 164.2601 -3556.1668 -2361.1799 921491.4634 -3556.1668 -2361.1799
ENERGY: 462 22264.2257 19487.8109 5736.4823 180.9531 -337988.7175 23351.1086 0.0000 0.0000 44559.9296 -222408.2073 162.0968 -266968.1369 -222056.7212 162.0968 -2954.8201 -2323.4251 921491.4634 -2954.8201 -2323.4251
ENERGY: 463 21821.1792 19513.9016 5738.9361 181.1160 -337284.1032 23326.9477 0.0000 0.0000 44313.4575 -222388.5650 161.2002 -266702.0225 -222054.6240 161.2002 -2012.4424 -2264.0778 921491.4634 -2012.4424 -2264.0778
ENERGY: 464 20535.2460 19559.9272 5739.2519 181.0096 -336389.3846 23291.1942 0.0000 0.0000 44654.0272 -222428.7285 162.4391 -267082.7557 -222058.5730 162.4391 -1050.9227 -2205.5269 921491.4634 -1050.9227 -2205.5269
ENERGY: 465 19322.7826 19631.8854 5737.2899 180.7155 -335701.1539 23259.7391 0.0000 0.0000 45094.5694 -222474.1720 164.0416 -267568.7414 -222052.9389 164.0416 -512.3346 -2174.4009 921491.4634 -512.3346 -2174.4009
ENERGY: 466 19088.4510 19708.3581 5733.2107 180.2808 -335443.7732 23245.0603 0.0000 0.0000 45020.7914 -222467.6207 163.7733 -267488.4121 -222052.9786 163.7733 -630.3314 -2182.6711 921491.4634 -630.3314 -2182.6711
ENERGY: 467 19841.8071 19783.1742 5727.6704 179.7757 -335721.0958 23249.4529 0.0000 0.0000 44523.6671 -222415.5483 161.9649 -266939.2154 -222054.3495 161.9649 -1393.6030 -2232.5925 921491.4634 -1393.6030 -2232.5925
ENERGY: 468 20761.8484 19845.4942 5721.5090 179.2779 -336451.5670 23265.8125 0.0000 0.0000 44291.6590 -222385.9660 161.1209 -266677.6251 -222056.3588 161.1209 -2508.6715 -2314.1340 921491.4634 -2508.6715 -2314.1340
ENERGY: 469 21236.3018 19910.2022 5715.6824 178.8504 -337458.3207 23284.3961 0.0000 0.0000 44720.3207 -222412.5670 162.6802 -267132.8877 -222046.0748 162.6802 -3596.7408 -2405.7973 921491.4634 -3596.7408 -2405.7973
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1733 19972.8936 5710.9492 178.5947 -338383.2513 23297.0672 0.0000 0.0000 45346.4578 -222466.1154 164.9580 -267812.5732 -222047.6086 164.9580 -4259.6998 -2477.6832 921491.4634 -4259.6998 -2477.6832
ENERGY: 471 21732.8680 20054.6838 5707.9627 178.5890 -338913.2456 23297.5085 0.0000 0.0000 45471.3368 -222470.2968 165.4122 -267941.6336 -222047.5357 165.4122 -4290.5686 -2504.3176 921491.4634 -4290.5686 -2504.3176
ENERGY: 472 22081.2363 20161.5554 5707.0091 178.9047 -338870.6771 23279.4491 0.0000 0.0000 45028.5296 -222433.9928 163.8014 -267462.5224 -222059.5057 163.8014 -3659.7361 -2479.9184 921491.4634 -3659.7361 -2479.9184
ENERGY: 473 21866.1364 20289.3428 5707.9843 179.6165 -338307.7194 23240.7364 0.0000 0.0000 44634.5172 -222389.3858 162.3681 -267023.9030 -222043.8538 162.3681 -2556.3616 -2408.1657 921491.4634 -2556.3616 -2408.1657
ENERGY: 474 20842.9704 20372.0987 5710.2161 180.7466 -337438.4554 23189.2350 0.0000 0.0000 44733.2306 -222409.9580 162.7272 -267143.1886 -222041.2618 162.7272 -1295.5523 -2316.2728 921491.4634 -1295.5523 -2316.2728
ENERGY: 475 19674.2079 20371.7674 5712.9876 182.2512 -336604.2313 23142.3820 0.0000 0.0000 45070.2138 -222450.4215 163.9531 -267520.6353 -222039.4529 163.9531 -344.6447 -2232.2125 921491.4634 -344.6447 -2232.2125
ENERGY: 476 19235.7861 20282.0273 5715.7683 184.0125 -336100.0908 23115.8469 0.0000 0.0000 45106.0632 -222460.5864 164.0835 -267566.6497 -222053.6141 164.0835 -92.4049 -2183.0654 921491.4634 -92.4049 -2183.0654
ENERGY: 477 19704.7251 20145.9811 5718.4976 185.9230 -336101.8795 23114.2943 0.0000 0.0000 44812.3206 -222420.1378 163.0149 -267232.4584 -222044.8414 163.0149 -667.4946 -2171.8229 921491.4634 -667.4946 -2171.8229
ENERGY: 478 20493.4779 19974.7635 5721.0254 187.7262 -336537.4042 23131.2464 0.0000 0.0000 44627.0330 -222402.1318 162.3409 -267029.1648 -222047.4110 162.3409 -1807.1605 -2198.7957 921491.4634 -1807.1605 -2198.7957
ENERGY: 479 21125.3061 19793.3953 5723.3295 189.2099 -337215.5844 23156.6776 0.0000 0.0000 44802.1574 -222425.5086 162.9779 -267227.6660 -222050.5463 162.9779 -3089.8517 -2246.7918 921491.4634 -3089.8517 -2246.7918
TIMING: 480 CPU: 224.724, 0.457295/step Wall: 224.724, 0.457295/step, 0.00254053 hours remaining, 3224.382812 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 19623.1963 5725.3111 190.1901 -337854.6787 23181.5123 0.0000 0.0000 45051.6810 -222458.7550 163.8856 -267510.4361 -222064.6210 163.8856 -4077.7327 -2291.4891 921491.4634 -4077.7327 -2291.4891
ENERGY: 481 22092.4856 19510.0432 5727.0952 190.6351 -338199.2483 23196.7964 0.0000 0.0000 45041.3363 -222440.8563 163.8480 -267482.1926 -222052.5266 163.8480 -4466.2394 -2305.6732 921491.4634 -4466.2394 -2305.6732
ENERGY: 482 22186.3470 19466.6794 5728.4964 190.3598 -338044.5420 23192.7480 0.0000 0.0000 44865.8514 -222414.0601 163.2096 -267279.9114 -222051.4113 163.2096 -4059.3098 -2278.0614 921491.4634 -4059.3098 -2278.0614
ENERGY: 483 21553.1415 19511.5745 5729.5660 189.3227 -337426.2187 23165.8747 0.0000 0.0000 44861.8963 -222414.8430 163.1952 -267276.7393 -222048.7672 163.1952 -2964.1722 -2216.4115 921491.4634 -2964.1722 -2216.4115
ENERGY: 484 20460.8926 19631.1939 5730.2465 187.5455 -336590.8887 23126.1358 0.0000 0.0000 45003.6027 -222451.2717 163.7107 -267454.8744 -222059.8742 163.7107 -1565.2424 -2143.1850 921491.4634 -1565.2424 -2143.1850
ENERGY: 485 19688.7720 19800.2991 5730.5256 185.2458 -335902.5869 23092.8477 0.0000 0.0000 44955.5721 -222449.3246 163.5360 -267404.8967 -222045.9606 163.5360 -422.1568 -2086.8736 921491.4634 -422.1568 -2086.8736
ENERGY: 486 19602.5427 19954.8176 5729.7197 182.4662 -335612.3573 23080.3814 0.0000 0.0000 44645.9114 -222416.5182 162.4096 -267062.4296 -222044.6761 162.4096 87.3182 -2070.0982 921491.4634 87.3182 -2070.0982
ENERGY: 487 19881.0926 20072.0213 5727.4347 179.4360 -335846.4489 23091.0551 0.0000 0.0000 44503.3491 -222392.0599 161.8910 -266895.4091 -222045.2407 161.8910 -192.2345 -2106.8840 921491.4634 -192.2345 -2106.8840
ENERGY: 488 20125.2100 20156.1363 5723.5441 176.4338 -336552.5461 23118.8624 0.0000 0.0000 44827.0555 -222425.3041 163.0685 -267252.3596 -222057.1938 163.0685 -1145.7533 -2194.6679 921491.4634 -1145.7533 -2194.6679
ENERGY: 489 20526.8873 20236.4612 5718.5748 173.8639 -337540.4666 23156.7317 0.0000 0.0000 45266.1003 -222461.8473 164.6656 -267727.9476 -222045.6086 164.6656 -2511.2405 -2316.7066 921491.4634 -2511.2405 -2316.7066
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 20292.9026 5712.8912 171.8438 -338458.1373 23196.4885 0.0000 0.0000 45213.5627 -222459.6993 164.4745 -267673.2621 -222048.2208 164.4745 -3823.4040 -2437.4155 921491.4634 -3823.4040 -2437.4155
ENERGY: 491 22430.4642 20312.1365 5707.3795 170.5404 -338984.5805 23226.0944 0.0000 0.0000 44733.0088 -222404.9568 162.7264 -267137.9656 -222049.4638 162.7264 -4629.6935 -2524.6215 921491.4634 -4629.6935 -2524.6215
ENERGY: 492 22612.9548 20289.6814 5702.9944 170.0208 -338937.5827 23232.7212 0.0000 0.0000 44542.1950 -222387.0151 162.0323 -266929.2101 -222060.3860 162.0323 -4606.8524 -2557.4729 921491.4634 -4606.8524 -2557.4729
ENERGY: 493 21558.2188 20260.7377 5700.7779 170.3200 -338358.0643 23214.0543 0.0000 0.0000 45033.8231 -222420.1326 163.8207 -267453.9557 -222046.5901 163.8207 -3796.3818 -2540.0996 921491.4634 -3796.3818 -2540.0996
ENERGY: 494 20068.3366 20225.0262 5700.9805 171.2193 -337454.3843 23183.0801 0.0000 0.0000 45622.2477 -222483.4939 165.9612 -268105.7417 -222044.0868 165.9612 -2500.8991 -2482.1068 921491.4634 -2500.8991 -2482.1068
ENERGY: 495 19383.2463 20186.8301 5703.5926 172.5416 -336566.9894 23159.4630 0.0000 0.0000 45484.1234 -222477.1925 165.4587 -267961.3159 -222041.5563 165.4587 -1249.6835 -2407.3055 921491.4634 -1249.6835 -2407.3055
ENERGY: 496 19722.4834 20130.6472 5708.0350 174.0933 -335998.7161 23154.2640 0.0000 0.0000 44699.5273 -222409.6658 162.6046 -267109.1931 -222049.0669 162.6046 -478.8996 -2343.4750 921491.4634 -478.8996 -2343.4750
ENERGY: 497 20212.6669 20059.9175 5713.4613 175.7242 -335952.5047 23166.3550 0.0000 0.0000 44261.0291 -222363.3509 161.0095 -266624.3800 -222042.7499 161.0095 -421.0231 -2316.7928 921491.4634 -421.0231 -2316.7928
ENERGY: 498 20182.0166 19957.1215 5718.5596 177.2604 -336366.4938 23189.3589 0.0000 0.0000 44728.2536 -222413.9232 162.7091 -267142.1768 -222044.5218 162.7091 -993.4679 -2331.6472 921491.4634 -993.4679 -2331.6472
ENERGY: 499 20158.0680 19847.7309 5722.4089 178.6361 -337058.4828 23219.2407 0.0000 0.0000 45439.2644 -222493.1338 165.2956 -267932.3982 -222047.2061 165.2956 -2020.8688 -2376.3390 921491.4634 -2020.8688 -2376.3390
Info: Benchmark time: 4 CPUs 0.456782 s/step 5.28683 days/ns 3224.38 MB memory
TIMING: 500 CPU: 233.795, 0.453555/step Wall: 233.795, 0.453555/step, 0 hours remaining, 3224.382812 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 20974.8939 19756.6584 5724.4523 179.8271 -337741.4195 23251.1011 0.0000 0.0000 45359.0776 -222495.4090 165.0039 -267854.4867 -222061.0908 165.0039 -3197.5170 -2425.4142 921491.4634 -3197.5170 -2425.4142
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, 3229.832 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.832 MB of memory in use
====================================================
WallClock: 241.042969 CPUTime: 241.042969 Memory: 3229.832031 MB
[Partition 0][Node 0] End of program
Application 1110981 resources: utime ~946s, stime ~19s, Rss ~127244, inblocks ~66551, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.042969
CPU=241.042969
MEM=3229.832031
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 17 18:52 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 17 18:52 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 17 18:52 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 17 18:51 status
-rwxr-xr-x 1 bwjenkins BW_System 189488 Dec 17 18:51 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 17 18:46 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 17 18:46 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 17 18:36 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 17 18:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 17 18:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 17 18:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 17 18:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 17 18:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 17 18:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 17 18:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 17 18:21 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/jenkins3098935188256744971.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}
