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ENERGY:      82     23281.9358     18596.7909      5764.2397       189.9463        -336325.0806     23318.6737         0.0000         0.0000     42895.4653        -222278.0290       156.0419   -265173.4943   -222383.3807       156.0419          -3616.8099     -2297.6228    921491.4634     -3616.8099     -2297.6228

ENERGY:      83     17463.4115     17611.3785      5761.4800       185.4557        -334548.5447     23165.5264         0.0000         0.0000     47631.4998        -222729.7928       173.2703   -270361.2926   -222380.7996       173.2703          -2245.6201     -2209.9239    921491.4634     -2245.6201     -2209.9239

ENERGY:      84     15692.0180     17521.7595      5761.2958       180.7102        -333070.6343     23043.3534         0.0000         0.0000     48072.9174        -222798.5800       174.8761   -270871.4975   -222420.9190       174.8761          -1264.6407     -2119.1646    921491.4634     -1264.6407     -2119.1646

ENERGY:      85     19034.4748     18377.7083      5761.3316       176.5397        -332350.3362     22972.2187         0.0000         0.0000     43641.9417        -222386.1215       158.7574   -266028.0631   -222396.4595       158.7574          -1101.4911     -2031.8233    921491.4634     -1101.4911     -2031.8233

ENERGY:      86     22361.2995     19720.3242      5758.5583       173.6091        -332514.8437     22921.5212         0.0000         0.0000     39480.2343        -222099.2971       143.6182   -261579.5314   -222396.4726       143.6182          -1408.4308     -1992.0456    921491.4634     -1408.4308     -1992.0456

ENERGY:      87     21898.5873     20858.8153      5750.7775       172.4431        -333299.4427     22859.7331         0.0000         0.0000     39513.3019        -222245.7845       143.7385   -261759.0863   -222398.3220       143.7385          -1739.2136     -2002.6067    921491.4634     -1739.2136     -2002.6067

ENERGY:      88     19807.2124     21236.1263      5737.2297       173.3188        -334313.4195     22793.0785         0.0000         0.0000     42007.3339        -222559.1199       152.8111   -264566.4538   -222408.9128       152.8111          -2036.3959     -2043.8955    921491.4634     -2036.3959     -2043.8955

ENERGY:      89     20138.2922     20745.5547      5719.3133       176.3160        -335202.8322     22743.6988         0.0000         0.0000     43113.7498        -222565.9075       156.8360   -265679.6572   -222389.0013       156.8360          -2409.8247     -2071.1686    921491.4634     -2409.8247     -2071.1686

ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:      90     22711.6048     19691.0677      5699.8921       181.1111        -335712.1131     22705.2745         0.0000         0.0000     42377.6758        -222345.4870       154.1583   -264723.1628   -222389.2092       154.1583          -2670.9832     -2080.5818    921491.4634     -2670.9832     -2080.5818

ENERGY:      91     23737.5988     18627.1145      5683.0577       187.2277        -335678.4156     22643.5818         0.0000         0.0000     42539.3830        -222260.4521       154.7466   -264799.8351   -222388.3580       154.7466          -2499.0954     -2078.8098    921491.4634     -2499.0954     -2078.8098

ENERGY:      92     21523.8221     18060.4536      5672.6738       194.0387        -335129.0783     22543.7115         0.0000         0.0000     44665.3079        -222469.0708       162.4801   -267134.3787   -222389.6058       162.4801          -1910.9683     -2078.9076    921491.4634     -1910.9683     -2078.9076

ENERGY:      93     18788.3597     18281.5994      5671.3717       200.9119        -334319.2922     22433.7892         0.0000         0.0000     46311.8833        -222631.3769       168.4699   -268943.2602   -222367.8860       168.4699          -1385.1718     -2068.2565    921491.4634     -1385.1718     -2068.2565

ENERGY:      94     18530.9328     19242.9914      5679.4418       207.1113        -333693.3059     22351.2077         0.0000         0.0000     45144.9171        -222536.7039       164.2248   -267681.6209   -222367.0863       164.2248          -1347.2600     -2063.4575    921491.4634     -1347.2600     -2063.4575

ENERGY:      95     20040.4585     20654.3435      5695.3527       212.0382        -333603.6974     22302.2586         0.0000         0.0000     42387.6997        -222311.5461       154.1948   -264699.2458   -222367.4632       154.1948          -1793.7082     -2083.6407    921491.4634     -1793.7082     -2083.6407

ENERGY:      96     20584.1063     22050.3788      5716.0483       215.1945        -334091.8990     22265.7316         0.0000         0.0000     40970.7076        -222289.7317       149.0402   -263260.4393   -222356.3661       149.0402          -2389.6990     -2142.8256    921491.4634     -2389.6990     -2142.8256

ENERGY:      97     19809.1308     22949.2011      5737.7476       216.2279        -334886.9639     22225.8322         0.0000         0.0000     41505.2398        -222443.5845       150.9847   -263948.8243   -222346.5816       150.9847          -2891.9374     -2214.1665    921491.4634     -2891.9374     -2214.1665

ENERGY:      98     19979.7556     22958.8353      5756.3117       214.8681        -335616.8430     22188.2114         0.0000         0.0000     41993.4227        -222525.4383       152.7605   -264518.8609   -222347.6398       152.7605          -3206.5490     -2272.3421    921491.4634     -3206.5490     -2272.3421

ENERGY:      99     22029.8952     22024.0795      5768.5777       211.0972        -336009.8229     22159.4701         0.0000         0.0000     41425.1769        -222391.5264       150.6934   -263816.7032   -222348.0705       150.6934          -3235.8098     -2296.7688    921491.4634     -3235.8098     -2296.7688

LDB: ============= START OF LOAD BALANCING ============== 54.4002
LDB: Largest compute 200 load 0.429652 is 1.2% of average load 36.813571
LDB: Average compute 0.051574 is 0.1% of average load 36.813571
LDB: Partitioning computes with target load 3.681357
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055605
LDB: ============== END OF LOAD BALANCING =============== 54.4023
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.4031
Info: Initial time: 4 CPUs 0.475247 s/step 5.50055 days/ns 3221.51 MB memory
TIMING: 100  CPU: 48.4959, 0.474279/step  Wall: 48.4959, 0.474279/step, 0.0526977 hours remaining, 3221.507812 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:     100     23587.3020     20475.3729      5773.0376       205.1509        -335896.4621     22125.7987         0.0000         0.0000     41455.8050        -222273.9949       150.8048   -263729.8000   -222326.1725       150.8048          -2788.3920     -2294.3880    921491.4634     -2788.3920     -2294.3880

ENERGY:     101     22287.2999     18933.8502      5770.3900       197.5201        -335238.2411     22065.3980         0.0000         0.0000     43590.2956        -222393.4874       158.5695   -265983.7830   -222319.4706       158.5695          -1880.2674     -2262.6846    921491.4634     -1880.2674     -2262.6846

ENERGY:     102     19420.3335     17951.6561      5762.8059       188.8891        -334088.2232     21980.7895         0.0000         0.0000     46153.7218        -222630.0273       167.8946   -268783.7491   -222317.3981       167.8946           -924.5794     -2215.2271    921491.4634      -924.5794     -2215.2271

ENERGY:     103     18429.6588     17794.2511      5753.5002       180.0834        -332765.4444     21898.9792         0.0000         0.0000     46061.5884        -222647.3833       167.5594   -268708.9718   -222315.0114       167.5594           -521.9323     -2162.1475    921491.4634      -521.9323     -2162.1475

ENERGY:     104     20135.5161     18313.1192      5745.4365       171.9705        -331716.6191     21838.6802         0.0000         0.0000     43114.8219        -222397.0747       156.8399   -265511.8966   -222300.0341       156.8399           -904.7452     -2132.5694    921491.4634      -904.7452     -2132.5694

ENERGY:     105     21674.8147     19112.5119      5740.5773       165.3638        -331353.5904     21791.8563         0.0000         0.0000     40663.3131        -222205.1532       147.9220   -262868.4664   -222297.2861       147.9220          -1781.0302     -2140.0925    921491.4634     -1781.0302     -2140.0925

ENERGY:     106     20688.3525     19760.1603      5739.0355       160.9482        -331684.6911     21743.4748         0.0000         0.0000     41270.8909        -222321.8288       150.1322   -263592.7197   -222299.8102       150.1322          -2687.8655     -2192.8737    921491.4634     -2687.8655     -2192.8737

ENERGY:     107     18828.1851     20041.3660      5739.7936       159.1631        -332486.5660     21693.8616         0.0000         0.0000     43452.4232        -222571.7735       158.0680   -266024.1966   -222302.3923       158.0680          -3435.4056     -2264.9714    921491.4634     -3435.4056     -2264.9714

ENERGY:     108     19374.7527     19955.6335      5740.9974       160.1493        -333435.9265     21654.4582         0.0000         0.0000     43952.1729        -222597.7626       159.8859   -266549.9354   -222305.0564       159.8859          -3989.5484     -2325.7046    921491.4634     -3989.5484     -2325.7046

ENERGY:     109     22394.0522     19651.8555      5740.7059       163.7566        -334323.6679     21623.9119         0.0000         0.0000     42380.9038        -222368.4820       154.1701   -264749.3858   -222289.2483       154.1701          -4162.2878     -2354.5143    921491.4634     -4162.2878     -2354.5143

ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     110     24310.7313     19315.3191      5736.8740       169.5643        -334907.1601     21583.6716         0.0000         0.0000     41568.0398        -222222.9600       151.2131   -263790.9998   -222288.3778       151.2131          -3608.1963     -2356.1915    921491.4634     -3608.1963     -2356.1915

ENERGY:     111     22660.5936     19186.3867      5728.6091       176.9885        -335028.8261     21518.8536         0.0000         0.0000     43385.4035        -222371.9911       157.8242   -265757.3945   -222286.8997       157.8242          -2331.3778     -2338.2312    921491.4634     -2331.3778     -2338.2312

ENERGY:     112     19381.8199     19463.5169      5716.4074       185.3624        -334677.6373     21440.9489         0.0000         0.0000     45860.8186        -222628.7633       166.8291   -268489.5818   -222302.4567       166.8291           -894.2292     -2309.1963    921491.4634      -894.2292     -2309.1963

ENERGY:     113     18216.1581     20180.8083      5702.4491       194.0323        -334046.4823     21376.2231         0.0000         0.0000     45761.5816        -222615.2299       166.4681   -268376.8115   -222273.7400       166.4681            -55.6424     -2273.8625    921491.4634       -55.6424     -2273.8625

ENERGY:     114     19843.9971     21062.4094      5689.3793       202.2945        -333472.4287     21337.7637         0.0000         0.0000     42964.6871        -222371.8976       156.2937   -265336.5847   -222272.2451       156.2937           -128.5962     -2261.6571    921491.4634      -128.5962     -2261.6571

ENERGY:     115     21448.4484     21679.6561      5680.2429       209.5308        -333239.9678     21316.4507         0.0000         0.0000     40710.1057        -222195.5331       148.0922   -262905.6387   -222272.7005       148.0922           -905.3246     -2296.5621    921491.4634      -905.3246     -2296.5621

ENERGY:     116     20838.2582     21694.4196      5677.2615       215.2237        -333429.0368     21301.4964         0.0000         0.0000     41385.0932        -222317.2843       150.5476   -263702.3775   -222276.5258       150.5476          -2000.5239     -2380.1423    921491.4634     -2000.5239     -2380.1423

ENERGY:     117     19309.7303     21105.1712      5681.4215       219.0426        -333858.2254     21295.0741         0.0000         0.0000     43733.0003        -222514.7855       159.0886   -266247.7858   -222254.7026       159.0886          -3196.9893     -2479.5443    921491.4634     -3196.9893     -2479.5443

ENERGY:     118     19488.7485     20180.1711      5691.5867       220.7069        -334305.8419     21303.6951         0.0000         0.0000     44852.5145        -222568.4191       163.1611   -267420.9336   -222257.5958       163.1611          -4287.8519     -2560.8627    921491.4634     -4287.8519     -2560.8627

ENERGY:     119     21608.8171     19327.4369      5705.7183       220.1523        -334582.5768     21318.6507         0.0000         0.0000     43971.5398        -222430.2618       159.9564   -266401.8015   -222258.7220       159.9564          -4948.0952     -2603.4635    921491.4634     -4948.0952     -2603.4635

LDB: ============= START OF LOAD BALANCING ============== 63.868
LDB: ============== END OF LOAD BALANCING =============== 63.8681
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.8685
TIMING: 120  CPU: 57.9589, 0.473152/step  Wall: 57.9589, 0.473152/step, 0.0499438 hours remaining, 3221.656250 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:     120     23278.7483     18843.5008      5721.1112       217.5091        -334559.3219     21317.8986         0.0000         0.0000     42838.0030        -222342.5510       155.8329   -265180.5539   -222260.9693       155.8329          -4802.3839     -2609.8233    921491.4634     -4802.3839     -2609.8233

ENERGY:     121     22753.8286     18833.9840      5735.1155       213.1885        -334109.3886     21287.1663         0.0000         0.0000     42902.9082        -222383.1976       156.0690   -265286.1057   -222238.8455       156.0690          -3789.7329     -2573.0323    921491.4634     -3789.7329     -2573.0323

ENERGY:     122     20911.3203     19183.7910      5744.9150       207.6394        -333246.0909     21235.0875         0.0000         0.0000     43471.2678        -222492.0698       158.1365   -265963.3376   -222236.2048       158.1365          -2259.2350     -2503.9465    921491.4634     -2259.2350     -2503.9465

ENERGY:     123     19716.6565     19702.2261      5748.9495       201.5074        -332195.6663     21181.3172         0.0000         0.0000     43159.1486        -222485.8609       157.0011   -265645.0096   -222233.3016       157.0011           -827.7757     -2423.1751    921491.4634      -827.7757     -2423.1751

ENERGY:     124     19701.7330     20151.8502      5747.1965       195.4812        -331340.9822     21138.0467         0.0000         0.0000     42008.6529        -222398.0217       152.8159   -264406.6746   -222234.8509       152.8159              8.3517     -2371.2952    921491.4634         8.3517     -2371.2952

ENERGY:     125     19961.8489     20319.7042      5741.5018       190.2907        -331002.3873     21106.9631         0.0000         0.0000     41347.6159        -222334.4628       150.4113   -263682.0787   -222218.5351       150.4113             16.1240     -2370.5229    921491.4634        16.1240     -2370.5229

ENERGY:     126     19913.8781     20060.3740      5734.4101       186.3237        -331257.3386     21089.4917         0.0000         0.0000     41888.6055        -222384.2556       152.3792   -264272.8611   -222220.0404       152.3792           -757.3346     -2430.8872    921491.4634      -757.3346     -2430.8872

ENERGY:     127     20034.1248     19457.5519      5728.8730       183.8512        -331985.2680     21088.4979         0.0000         0.0000     43047.2720        -222445.0972       156.5941   -265492.3692   -222223.2517       156.5941          -2122.5055     -2533.3235    921491.4634     -2122.5055     -2533.3235

ENERGY:     128     20681.9269     18818.3078      5727.0308       182.9174        -332977.2826     21101.0436         0.0000         0.0000     44006.3124        -222459.7437       160.0829   -266466.0561   -222232.5706       160.0829          -3698.9566     -2655.1908    921491.4634     -3698.9566     -2655.1908

ENERGY:     129     21368.2886     18554.7976      5729.8505       183.4688        -333997.8249     21115.0501         0.0000         0.0000     44607.0893        -222439.2800       162.2683   -267046.3693   -222215.2564       162.2683          -4993.9821     -2763.9222    921491.4634     -4993.9821     -2763.9222

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     18898.7762      5736.4508       185.0194        -334776.0136     21118.0422         0.0000         0.0000     44811.1496        -222472.9666       163.0106   -267284.1162   -222216.5363       163.0106          -5536.0556     -2842.3154    921491.4634     -5536.0556     -2842.3154

ENERGY:     131     21530.9956     19804.6628      5745.0872       187.0957        -335083.2642     21105.7069         0.0000         0.0000     44221.5102        -222488.2058       160.8657   -266709.7160   -222215.1803       160.8657          -5164.7863     -2872.9597    921491.4634     -5164.7863     -2872.9597

ENERGY:     132     21696.5183     20951.9797      5753.4447       189.2233        -334841.7368     21081.3851         0.0000         0.0000     42732.1266        -222437.0591       155.4477   -265169.1857   -222222.8147       155.4477          -4015.6410     -2856.5553    921491.4634     -4015.6410     -2856.5553

ENERGY:     133     21569.7009     21939.4305      5759.4053       191.1377        -334187.7138     21049.8506         0.0000         0.0000     41346.5715        -222331.6172       150.4075   -263678.1888   -222209.0243       150.4075          -2436.6192     -2806.2333    921491.4634     -2436.6192     -2806.2333

ENERGY:     134     20380.1718     22407.7421      5761.0449       192.4922        -333420.8524     21018.0949         0.0000         0.0000     41320.1609        -222341.1456       150.3114   -263661.3065   -222206.0448       150.3114           -846.9779     -2759.4267    921491.4634      -846.9779     -2759.4267

ENERGY:     135     18735.1491     22221.9399      5757.7067       193.2251        -332860.3439     20999.0422         0.0000         0.0000     42497.1277        -222456.1531       154.5929   -264953.2808   -222204.4871       154.5929            191.9084     -2745.1432    921491.4634       191.9084     -2745.1432

ENERGY:     136     18381.4539     21453.0791      5750.0867       193.4037        -332655.7486     21006.3294         0.0000         0.0000     43348.3541        -222523.0418       157.6894   -265871.3959   -222211.0693       157.6894            198.1850     -2776.3543    921491.4634       198.1850     -2776.3543

ENERGY:     137     19975.5716     20347.8312      5740.3098       193.2572        -332832.5917     21040.1067         0.0000         0.0000     43092.4470        -222443.0683       156.7585   -265535.5153   -222209.8937       156.7585           -927.2503     -2841.0685    921491.4634      -927.2503     -2841.0685

ENERGY:     138     21874.8525     19195.4801      5730.8549       192.8766        -333203.4343     21083.5324         0.0000         0.0000     42784.9639        -222340.8739       155.6399   -265125.8378   -222213.1815       155.6399          -2704.7056     -2927.3525    921491.4634     -2704.7056     -2927.3525

ENERGY:     139     22116.0297     18330.1124      5724.2506       192.4679        -333575.3363     21115.6333         0.0000         0.0000     43705.6789        -222391.1635       158.9892   -266096.8425   -222217.3488       158.9892          -4443.4109     -3015.1529    921491.4634     -4443.4109     -3015.1529

TIMING: 140  CPU: 67.4158, 0.472846/step  Wall: 67.4158, 0.472846/step, 0.0472846 hours remaining, 3221.789062 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     20992.5977     17997.1577      5722.1741       192.2140        -333726.9441     21127.4061         0.0000         0.0000     45144.2513        -222551.1432       164.2224   -267695.3946   -222224.0361       164.2224          -5617.7628     -3080.3638    921491.4634     -5617.7628     -3080.3638

ENERGY:     141     20605.2148     18251.9195      5725.3083       192.2642        -333525.1323     21120.3060         0.0000         0.0000     45039.8864        -222590.2331       163.8427   -267630.1195   -222215.3919       163.8427          -6017.5038     -3087.0005    921491.4634     -6017.5038     -3087.0005

ENERGY:     142     21702.7399     18860.4298      5732.9228       192.6003        -332879.0279     21093.2714         0.0000         0.0000     42868.0673        -222428.9962       155.9422   -265297.0636   -222213.3920       155.9422          -5532.0375     -3029.5546    921491.4634     -5532.0375     -3029.5546

ENERGY:     143     22457.6178     19468.7636      5743.5741       193.1827        -331957.5930     21040.0377         0.0000         0.0000     40797.9947        -222256.4223       148.4119   -263054.4170   -222209.6223       148.4119          -4179.8276     -2928.5086    921491.4634     -4179.8276     -2928.5086

ENERGY:     144     21007.3338     19787.0058      5755.2166       193.9151        -331097.8396     20965.2215         0.0000         0.0000     41087.3101        -222301.8367       149.4643   -263389.1468   -222194.0943       149.4643          -2265.2406     -2825.3503    921491.4634     -2265.2406     -2825.3503

ENERGY:     145     18390.7599     19760.7603      5765.7577       194.6436        -330692.1923     20892.9233         0.0000         0.0000     43191.0817        -222496.2658       157.1173   -265687.3475   -222180.9594       157.1173           -495.5028     -2742.5238    921491.4634      -495.5028     -2742.5238

ENERGY:     146     17494.3905     19517.0964      5773.0763       195.1974        -330883.4476     20850.7305         0.0000         0.0000     44468.0626        -222584.8939       161.7626   -267052.9564   -222180.0854       161.7626            380.5832     -2698.3695    921491.4634       380.5832     -2698.3695

ENERGY:     147     19349.0816     19284.4052      5776.1299       195.3841        -331633.2794     20843.7953         0.0000         0.0000     43729.9297        -222454.5536       159.0775   -266184.4833   -222180.7858       159.0775             12.4495     -2697.6200    921491.4634        12.4495     -2697.6200

ENERGY:     148     21731.1610     19240.1451      5775.1361       195.0156        -332748.3461     20852.0478         0.0000         0.0000     42647.1433        -222307.6971       155.1386   -264954.8404   -222173.9042       155.1386          -1313.5163     -2742.2255    921491.4634     -1313.5163     -2742.2255

ENERGY:     149     22154.0983     19476.6232      5771.6403       193.9272        -333952.9657     20853.5364         0.0000         0.0000     43165.2619        -222337.8784       157.0234   -265503.1403   -222149.8011       157.0234          -2998.4813     -2814.2281    921491.4634     -2998.4813     -2814.2281

ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     150     21015.8993     19956.3835      5767.3089       192.0924        -334899.3754     20845.5771         0.0000         0.0000     44606.5897        -222515.5245       162.2665   -267122.1142   -222153.2666       162.2665          -4472.9374     -2881.9211    921491.4634     -4472.9374     -2881.9211

ENERGY:     151     20656.1100     20586.9276      5763.7530       189.5631        -335303.4337     20835.7247         0.0000         0.0000     44710.6378        -222560.7176       162.6450   -267271.3554   -222155.1380       162.6450          -5407.8406     -2907.6330    921491.4634     -5407.8406     -2907.6330

ENERGY:     152     21757.0222     21203.4202      5761.8055       186.4838        -335072.1084     20820.7501         0.0000         0.0000     42914.6705        -222427.9562       156.1118   -265342.6266   -222175.0513       156.1118          -5552.0270     -2878.0875    921491.4634     -5552.0270     -2878.0875

ENERGY:     153     22396.4535     21618.6021      5761.5688       183.0547        -334307.6856     20787.1625         0.0000         0.0000     41296.2810        -222264.5629       150.2245   -263560.8440   -222152.0202       150.2245          -4765.4775     -2800.4121    921491.4634     -4765.4775     -2800.4121

ENERGY:     154     20952.1342     21640.3346      5761.9239       179.5647        -333344.9131     20735.3659         0.0000         0.0000     41746.1291        -222329.4606       151.8609   -264075.5898   -222148.7913       151.8609          -3178.1873     -2707.3605    921491.4634     -3178.1873     -2707.3605

ENERGY:     155     18734.5491     21249.5939      5761.4992       176.3183        -332564.0952     20691.4724         0.0000         0.0000     43448.4574        -222502.2049       158.0535   -265950.6623   -222145.9852       158.0535          -1408.3063     -2623.9031    921491.4634     -1408.3063     -2623.9031

ENERGY:     156     18312.4484     20599.9073      5758.8570       173.6449        -332218.9146     20684.3830         0.0000         0.0000     44137.5522        -222552.1219       160.5603   -266689.6741   -222166.8048       160.5603           -219.5096     -2571.5313    921491.4634      -219.5096     -2571.5313

ENERGY:     157     20043.0837     19943.2665      5753.0946       171.8900        -332363.0659     20715.7865         0.0000         0.0000     43325.6934        -222410.2511       157.6070   -265735.9445   -222155.5010       157.6070            -38.8544     -2554.7665    921491.4634       -38.8544     -2554.7665

ENERGY:     158     21695.0847     19425.3239      5743.5666       171.3409        -332829.8102     20761.5806         0.0000         0.0000     42713.6820        -222319.2316       155.3806   -265032.9136   -222157.3221       155.3806           -715.5937     -2586.7969    921491.4634      -715.5937     -2586.7969

ENERGY:     159     21695.6536     19084.6409      5730.9315       172.1899        -333376.4007     20800.7930         0.0000         0.0000     43483.6004        -222408.5913       158.1814   -265892.1917   -222160.0970       158.1814          -1882.1014     -2660.7875    921491.4634     -1882.1014     -2660.7875

TIMING: 160  CPU: 76.8635, 0.472381/step  Wall: 76.8635, 0.472381/step, 0.0446138 hours remaining, 3221.953125 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:     160     21093.2844     18859.3046      5717.0749       174.4915        -333735.9155     20833.5472         0.0000         0.0000     44515.8596        -222542.3533       161.9365   -267058.2129   -222175.6786       161.9365          -3202.8706     -2752.7604    921491.4634     -3202.8706     -2752.7604

ENERGY:     161     21561.6002     18685.5960      5704.9781       178.2042        -333710.7597     20865.7133         0.0000         0.0000     44220.7113        -222493.9566       160.8628   -266714.6679   -222160.9738       160.8628          -4385.1101     -2823.4851    921491.4634     -4385.1101     -2823.4851

ENERGY:     162     22512.8124     18508.1493      5697.2826       183.0024        -333202.6496     20887.8857         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     21937.9850     18346.8657      5696.1509       188.4544        -332368.8223     20884.6196         0.0000         0.0000     43005.6962        -222309.0504       156.4429   -265314.7467   -222160.7801       156.4429          -4776.8218     -2868.7270    921491.4634     -4776.8218     -2868.7270

ENERGY:     164     19652.8064     18261.0400      5702.5306       194.0206        -331567.4469     20861.9109         0.0000         0.0000     44426.5345        -222468.6039       161.6115   -266895.1383   -222170.9034       161.6115          -3836.1731     -2870.4449    921491.4634     -3836.1731     -2870.4449

ENERGY:     165     18074.0951     18343.8150      5716.1638       199.2019        -331183.0466     20849.6743         0.0000         0.0000     45425.8564        -222574.2401       165.2468   -268000.0965   -222153.1698       165.2468          -2737.5185     -2867.1446    921491.4634     -2737.5185     -2867.1446

ENERGY:     166     18979.7069     18650.1654      5734.9735       203.3281        -331407.1003     20870.8940         0.0000         0.0000     44483.6890        -222484.3435       161.8194   -266968.0325   -222151.2327       161.8194          -1964.3635     -2870.3839    921491.4634     -1964.3635     -2870.3839

ENERGY:     167     21026.8307     19216.2867      5755.9248       205.8794        -332212.1862     20917.6389         0.0000         0.0000     42775.8063        -222313.8196       155.6066   -265089.6258   -222150.5298       155.6066          -1671.2499     -2889.5868    921491.4634     -1671.2499     -2889.5868

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          -1735.9906     -2933.5976    921491.4634     -1735.9906     -2933.5976

ENERGY:     169     20648.4666     20870.4069      5789.9166       204.9287        -334596.5072     20994.5723         0.0000         0.0000     43600.1911        -222488.0252       158.6055   -266088.2162   -222133.5316       158.6055          -2095.8777     -2988.7947    921491.4634     -2095.8777     -2988.7947

ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     170     20485.0015     21574.3800      5797.0542       201.1981        -335480.2503     21017.8094         0.0000         0.0000     43834.2689        -222570.5382       159.4570   -266404.8071   -222135.2421       159.4570          -2696.1968     -3030.4960    921491.4634     -2696.1968     -3030.4960

ENERGY:     171     22225.3641     21884.1726      5796.1347       195.5169        -335757.0016     21036.7488         0.0000         0.0000     42205.8540        -222413.2105       153.5333   -264619.0644   -222135.5892       153.5333          -3373.1626     -3035.3578    921491.4634     -3373.1626     -3035.3578

ENERGY:     172     23612.5240     21689.2904      5788.4217       188.3823        -335345.7508     21036.2040         0.0000         0.0000     40787.7258        -222243.2027       148.3745   -263030.9285   -222132.3043       148.3745          -3754.4378     -3004.4812    921491.4634     -3754.4378     -3004.4812

ENERGY:     173     22089.5490     21081.4670      5776.7002       180.5475        -334414.6777     21003.0505         0.0000         0.0000     41986.3987        -222296.9648       152.7350   -264283.3635   -222121.1462       152.7350          -3608.5984     -2944.3813    921491.4634     -3608.5984     -2944.3813

ENERGY:     174     18699.8471     20250.6916      5763.7521       172.7179        -333314.9342     20954.5022         0.0000         0.0000     44924.4954        -222548.9279       163.4230   -267473.4233   -222120.6680       163.4230          -3086.0085     -2871.4630    921491.4634     -3086.0085     -2871.4630

ENERGY:     175     17219.9374     19455.5734      5752.1494       165.6559        -332464.6996     20928.3118         0.0000         0.0000     46291.0146        -222652.0571       168.3940   -268943.0717   -222120.1887       168.3940          -2676.4053     -2794.4451    921491.4634     -2676.4053     -2794.4451

ENERGY:     176     19195.1038     18891.7629      5743.5896       160.0071        -332124.2128     20943.2095         0.0000         0.0000     44722.5121        -222468.0277       162.6882   -267190.5398   -222127.3369       162.6882          -2658.3220     -2727.5044    921491.4634     -2658.3220     -2727.5044

ENERGY:     177     21863.3196     18664.1735      5738.9484       156.2659        -332371.2413     20981.6519         0.0000         0.0000     42714.2625        -222252.6195       155.3827   -264966.8820   -222125.5136       155.3827          -2870.6846     -2681.8089    921491.4634     -2870.6846     -2681.8089

ENERGY:     178     21917.7901     18733.9559      5737.6245       154.5770        -332975.2977     21015.2133         0.0000         0.0000     43101.1545        -222314.9824       156.7902   -265416.1369   -222126.1321       156.7902          -2936.2257     -2665.7682    921491.4634     -2936.2257     -2665.7682

ENERGY:     179     20058.5721     19018.0840      5738.2698       154.9022        -333648.1820     21038.3004         0.0000         0.0000     45070.9164        -222569.1372       163.9556   -267640.0536   -222127.1793       163.9556          -2805.2709     -2668.3444    921491.4634     -2805.2709     -2668.3444

TIMING: 180  CPU: 86.3, 0.471826/step  Wall: 86.3, 0.471826/step, 0.0419401 hours remaining, 3222.093750 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:     180     19770.2944     19384.7965      5738.8341       156.9935        -334084.3524     21065.2916         0.0000         0.0000     45324.2213        -222643.9210       164.8771   -267968.1423   -222142.6343       164.8771          -2684.8630     -2671.3561    921491.4634     -2684.8630     -2671.3561

ENERGY:     181     22122.8094     19693.8084      5737.3498       160.4696        -334134.1967     21097.1423         0.0000         0.0000     42906.0429        -222416.5744       156.0804   -265322.6173   -222134.4680       156.0804          -2655.0378     -2656.7563    921491.4634     -2655.0378     -2656.7563

ENERGY:     182     23922.3456     19800.0773      5732.0748       164.8150        -333691.2981     21109.5294         0.0000         0.0000     40770.0179        -222192.4382       148.3101   -262962.4561   -222132.7633       148.3101          -2461.5985     -2635.7203    921491.4634     -2461.5985     -2635.7203

ENERGY:     183     22149.3485     19677.1534      5722.7616       169.5349        -332921.8734     21084.4911         0.0000         0.0000     41834.8234        -222283.7605       152.1836   -264118.5839   -222131.2588       152.1836          -1990.8044     -2626.5157    921491.4634     -1990.8044     -2626.5157

ENERGY:     184     18376.8754     19424.9915      5710.5469       174.1844        -332181.9077     21042.4479         0.0000         0.0000     44880.5527        -222572.3089       163.2631   -267452.8616   -222144.6140       163.2631          -1576.6174     -2645.2273    921491.4634     -1576.6174     -2645.2273

ENERGY:     185     16957.7743     19234.6873      5697.7241       178.4155        -331895.6959     21023.9443         0.0000         0.0000     46149.4988        -222653.6516       167.8792   -268803.1504   -222128.1654       167.8792          -1752.9882     -2679.2076    921491.4634     -1752.9882     -2679.2076

ENERGY:     186     19266.0405     19234.9571      5686.4352       181.9571        -332240.0936     21043.7459         0.0000         0.0000     44391.5887        -222435.3689       161.4844   -266826.9577   -222129.2886       161.4844          -2596.4732     -2731.4263    921491.4634     -2596.4732     -2731.4263

ENERGY:     187     22073.2968     19471.4303      5678.7398       184.6336        -333156.1126     21076.9265         0.0000         0.0000     42449.0056        -222222.0799       154.4178   -264671.0855   -222130.9078       154.4178          -3641.8536     -2802.0866    921491.4634     -3641.8536     -2802.0866

ENERGY:     188     22101.1831     19886.6773      5676.0120       186.3502        -334382.7611     21093.9045         0.0000         0.0000     43113.1615        -222325.4725       156.8338   -265438.6340   -222135.3907       156.8338          -4316.2656     -2887.0591    921491.4634     -4316.2656     -2887.0591

ENERGY:     189     20394.2463     20391.8601      5678.8863       187.1154        -335558.5039     21096.5840         0.0000         0.0000     45245.6387        -222564.1730       164.5912   -267809.8117   -222116.4322       164.5912          -4451.6371     -2950.0786    921491.4634     -4451.6371     -2950.0786

ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     190     20342.0727     20848.4447      5686.3598       187.0164        -336318.7429     21106.5488         0.0000         0.0000     45533.2634        -222615.0373       165.6375   -268148.3007   -222116.1589       165.6375          -4141.9210     -2962.8209    921491.4634     -4141.9210     -2962.8209

ENERGY:     191     22534.8505     21157.2825      5696.5257       186.2614        -336419.5246     21124.8644         0.0000         0.0000     43330.7336        -222389.0065       157.6253   -265719.7401   -222114.1139       157.6253          -3471.5975     -2915.5480    921491.4634     -3471.5975     -2915.5480

ENERGY:     192     23768.4828     21244.3746      5706.8010       185.1520        -335814.4789     21125.1404         0.0000         0.0000     41560.2538        -222224.2742       151.1848   -263784.5280   -222108.6419       151.1848          -2412.4654     -2830.7902    921491.4634     -2412.4654     -2830.7902

ENERGY:     193     21710.8593     21097.1072      5714.9848       184.0569        -334711.3256     21092.9042         0.0000         0.0000     42578.8349        -222332.5783       154.8901   -264911.4132   -222093.8904       154.8901          -1181.4693     -2735.1546    921491.4634     -1181.4693     -2735.1546

ENERGY:     194     18383.3648     20711.5281      5719.3482       183.2863        -333492.4630     21054.1040         0.0000         0.0000     44867.8136        -222573.0180       163.2168   -267440.8317   -222092.1689       163.2168           -314.8315     -2651.4482    921491.4634      -314.8315     -2651.4482

ENERGY:     195     17581.7011     20169.9815      5719.7968       183.0839        -332603.8308     21048.2209         0.0000         0.0000     45307.7485        -222593.2981       164.8171   -267901.0466   -222091.6062       164.8171           -398.0878     -2592.7756    921491.4634      -398.0878     -2592.7756

ENERGY:     196     19755.8662     19594.9320      5717.4229       183.5644        -332319.6952     21082.8579         0.0000         0.0000     43603.6155        -222381.4362       158.6180   -265985.0518   -222096.3128       158.6180          -1480.5941     -2574.8092    921491.4634     -1480.5941     -2574.8092

ENERGY:     197     21700.3671     19122.7580      5714.1451       184.7200        -332668.2734     21129.4588         0.0000         0.0000     42574.3655        -222242.4588       154.8738   -264816.8243   -222086.7181       154.8738          -3040.7438     -2596.5494    921491.4634     -3040.7438     -2596.5494

ENERGY:     198     21224.0062     18800.3006      5711.3574       186.3640        -333385.5001     21161.1534         0.0000         0.0000     43911.2864        -222391.0322       159.7372   -266302.3185   -222090.4393       159.7372          -4381.6810     -2646.7679    921491.4634     -4381.6810     -2646.7679

ENERGY:     199     20113.4049     18634.4040      5710.3429       188.2374        -334151.8590     21182.1777         0.0000         0.0000     45722.9588        -222600.3331       166.3276   -268323.2920   -222093.2752       166.3276          -5152.2286     -2691.5412    921491.4634     -5152.2286     -2691.5412

LDB: ============= START OF LOAD BALANCING ============== 101.646
LDB: Largest compute 200 load 0.425005 is 1.2% of average load 36.626639
LDB: Average compute 0.051310 is 0.1% of average load 36.626639
LDB: TIME 101.648 LOAD: AVG 36.6266 MAX 37.7771  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.41 MB
LDB: TIME 101.65 LOAD: AVG 36.6266 MAX 37.5209  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.41 MB
LDB: ============== END OF LOAD BALANCING =============== 101.652
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.655
Info: Initial time: 4 CPUs 0.472379 s/step 5.46735 days/ns 3223.28 MB memory
TIMING: 200  CPU: 95.7434, 0.47217/step  Wall: 95.7434, 0.47217/step, 0.0393475 hours remaining, 3223.277344 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:     200     21073.6837     18595.6350      5711.8747       190.0258        -334670.2811     21209.9248         0.0000         0.0000     45319.1601        -222569.9771       164.8586   -267889.1372   -222114.5244       164.8586          -5241.8525     -2703.6812    921491.4634     -5241.8525     -2703.6812

ENERGY:     201     23380.1029     18674.3333      5716.2802       191.4189        -334751.7131     21239.1341         0.0000         0.0000     43222.4696        -222327.9742       157.2315   -265550.4437   -222100.1078       157.2315          -4546.2003     -2661.1900    921491.4634     -4546.2003     -2661.1900

ENERGY:     202     23622.8115     18850.8450      5722.5980       192.1474        -334305.3005     21243.2752         0.0000         0.0000     42432.5589        -222241.0646       154.3580   -264673.6235   -222096.8290       154.3580          -3005.0516     -2588.0013    921491.4634     -3005.0516     -2588.0013

ENERGY:     203     20743.8943     19130.0390      5729.2400       192.0764        -333501.9371     21215.8254         0.0000         0.0000     44059.6987        -222431.1633       160.2771   -266490.8621   -222093.6426       160.2771          -1046.8256     -2512.4435    921491.4634     -1046.8256     -2512.4435

ENERGY:     204     17862.6123     19486.9556      5734.1463       191.2124        -332722.2198     21188.8403         0.0000         0.0000     45629.4720        -222628.9809       165.9875   -268258.4529   -222116.7002       165.9875            452.9934     -2462.2929    921491.4634       452.9934     -2462.2929

ENERGY:     205     18189.0790     19868.9413      5735.7153       189.6741        -332398.2550     21197.9186         0.0000         0.0000     44690.7149        -222526.2117       162.5725   -267216.9266   -222099.8061       162.5725            731.8536     -2447.6353    921491.4634       731.8536     -2447.6353

ENERGY:     206     20668.8902     20170.9985      5732.9811       187.6404        -332716.3434     21241.8391         0.0000         0.0000     42439.0585        -222274.9357       154.3816   -264713.9942   -222100.3397       154.3816           -230.6569     -2488.2937    921491.4634      -230.6569     -2488.2937

ENERGY:     207     21693.8033     20338.2889      5726.5434       185.3060        -333603.9792     21289.9002         0.0000         0.0000     42143.6914        -222226.4459       153.3072   -264370.1374   -222103.0932       153.3072          -1896.3479     -2585.9682    921491.4634     -1896.3479     -2585.9682

ENERGY:     208     20293.2704     20371.8902      5718.1572       182.8654        -334789.2377     21322.2410         0.0000         0.0000     44428.6271        -222472.1863       161.6191   -266900.8134   -222122.6312       161.6191          -3669.0643     -2719.7951    921491.4634     -3669.0643     -2719.7951

ENERGY:     209     19428.8172     20325.0057      5710.3389       180.5135        -335910.2412     21349.5045         0.0000         0.0000     46273.6801        -222642.3813       168.3309   -268916.0615   -222106.7898       168.3309          -5197.7275     -2836.6305    921491.4634     -5197.7275     -2836.6305

ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     210     21385.1736     20194.2567      5705.3139       178.4614        -336615.7766     21385.1096         0.0000         0.0000     45251.4335        -222516.0280       164.6123   -267767.4614   -222108.2014       164.6123          -6091.3663     -2896.2626    921491.4634     -6091.3663     -2896.2626

ENERGY:     211     24099.1928     19985.8630      5704.9373       176.9105        -336667.8925     21415.1477         0.0000         0.0000     43031.7286        -222254.1126       156.5376   -265285.8412   -222106.8539       156.5376          -5900.2976     -2885.1009    921491.4634     -5900.2976     -2885.1009

ENERGY:     212     23739.2708     19730.8221      5710.0295       176.0352        -336013.6226     21412.5983         0.0000         0.0000     42995.1639        -222249.7027       156.4046   -265244.8667   -222104.2320       156.4046          -4424.1001     -2820.3211    921491.4634     -4424.1001     -2820.3211

ENERGY:     213     20150.2159     19524.5248      5720.1722       175.9508        -334874.6443     21380.5552         0.0000         0.0000     45418.7806        -222504.4448       165.2210   -267923.2255   -222097.3836       165.2210          -2174.3116     -2725.0841    921491.4634     -2174.3116     -2725.0841

ENERGY:     214     17315.5528     19421.7448      5733.3059       176.6827        -333645.3937     21358.4486         0.0000         0.0000     46958.4703        -222681.1886       170.8220   -269639.6589   -222093.7408       170.8220           -143.6684     -2626.0578    921491.4634      -143.6684     -2626.0578

ENERGY:     215     18210.5055     19441.9744      5746.5772       178.1492        -332787.3324     21379.5596         0.0000         0.0000     45302.6746        -222527.8918       164.7987   -267830.5664   -222091.0448       164.7987            784.0015     -2554.0368    921491.4634       784.0015     -2554.0368

ENERGY:     216     20973.4717     19522.5063      5756.9571       180.1770        -332560.1064     21436.4836         0.0000         0.0000     42442.1788        -222248.3319       154.3930   -264690.5106   -222073.6157       154.3930            420.9901     -2541.5428    921491.4634       420.9901     -2541.5428

ENERGY:     217     21778.3868     19581.4821      5762.2416       182.5517        -333010.6762     21497.2706         0.0000         0.0000     41983.6750        -222225.0683       152.7251   -264208.7434   -222064.4465       152.7251           -882.1700     -2598.7243    921491.4634      -882.1700     -2598.7243

ENERGY:     218     20165.9159     19540.0892      5761.2415       184.9927        -333856.1151     21546.6561         0.0000         0.0000     44178.6836        -222478.5361       160.7099   -266657.2197   -222068.8156       160.7099          -2628.0654     -2703.9746    921491.4634     -2628.0654     -2703.9746

ENERGY:     219     19429.8642     19413.3933      5754.3577       187.2447        -334778.0713     21596.8809         0.0000         0.0000     45751.9297        -222644.4008       166.4329   -268396.3305   -222073.1720       166.4329          -4457.7333     -2810.5237    921491.4634     -4457.7333     -2810.5237

TIMING: 220  CPU: 105.19, 0.472338/step  Wall: 105.19, 0.472338/step, 0.0367374 hours remaining, 3223.277344 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     19260.1137      5743.1672       189.1021        -335473.8433     21655.3185         0.0000         0.0000     44539.5739        -222505.6535       162.0227   -267045.2274   -222092.6288       162.0227          -5898.3511     -2876.6576    921491.4634     -5898.3511     -2876.6576

ENERGY:     221     24234.7391     19146.8279      5730.1601       190.4777        -335718.7275     21699.4245         0.0000         0.0000     42467.0190        -222250.0792       154.4833   -264717.0982   -222077.7834       154.4833          -6342.7096     -2884.3551    921491.4634     -6342.7096     -2884.3551

ENERGY:     222     23735.1222     19085.7308      5717.7679       191.2893        -335388.9913     21700.3077         0.0000         0.0000     42702.0391        -222256.7343       155.3383   -264958.7734   -222075.6637       155.3383          -5368.7276     -2838.7016    921491.4634     -5368.7276     -2838.7016

ENERGY:     223     20286.4334     19110.8425      5708.3528       191.5578        -334633.3911     21665.5243         0.0000         0.0000     45168.7533        -222501.9269       164.3115   -267670.6802   -222072.2456       164.3115          -3322.8073     -2753.9474    921491.4634     -3322.8073     -2753.9474

ENERGY:     224     17721.9817     19276.3016      5703.4616       191.3517        -333831.1558     21637.4893         0.0000         0.0000     46650.8782        -222649.6917       169.7031   -269300.5699   -222098.2847       169.7031          -1151.0968     -2650.6854    921491.4634     -1151.0968     -2650.6854

ENERGY:     225     18451.5608     19639.7348      5703.5482       190.8347        -333424.4648     21647.4589         0.0000         0.0000     45301.5806        -222489.7469       164.7947   -267791.3275   -222079.9380       164.7947            226.2574     -2563.9720    921491.4634       226.2574     -2563.9720

ENERGY:     226     20569.7732     20147.6374      5707.2430       190.0457        -333606.5696     21686.9381         0.0000         0.0000     43034.1678        -222270.7643       156.5465   -265304.9322   -222078.6804       156.5465            530.9032     -2526.3323    921491.4634       530.9032     -2526.3323

ENERGY:     227     21011.1677     20670.4531      5712.3895       189.0769        -334317.7222     21728.2284         0.0000         0.0000     42721.7945        -222284.6119       155.4101   -265006.4065   -222080.2098       155.4101           -104.6491     -2553.6074    921491.4634      -104.6491     -2553.6074

ENERGY:     228     19866.2930     21035.8343      5716.6482       188.0080        -335312.4268     21761.2924         0.0000         0.0000     44242.5385        -222501.8123       160.9422   -266744.3507   -222102.7891       160.9422          -1440.0183     -2625.9672    921491.4634     -1440.0183     -2625.9672

ENERGY:     229     19874.0815     21137.5586      5718.5477       187.0043        -336264.4468     21796.8121         0.0000         0.0000     44976.5836        -222573.8590       163.6124   -267550.4426   -222086.0489       163.6124          -3234.4608     -2710.7214    921491.4634     -3234.4608     -2710.7214

ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     230     21999.2456     20926.2537      5717.1889       185.9786        -336838.6564     21834.6451         0.0000         0.0000     43751.0552        -222424.2893       159.1543   -266175.3445   -222088.6908       159.1543          -4902.3780     -2766.0556    921491.4634     -4902.3780     -2766.0556

ENERGY:     231     23806.6617     20470.3272      5713.0793       184.9073        -336794.0750     21849.7234         0.0000         0.0000     42506.4015        -222262.9746       154.6266   -264769.3761   -222089.4821       154.6266          -5730.6840     -2773.7614    921491.4634     -5730.6840     -2773.7614

ENERGY:     232     22812.6529     19886.6600      5707.7133       183.7520        -336072.1013     21820.0136         0.0000         0.0000     43315.5694        -222345.7401       157.5701   -265661.3095   -222098.2754       157.5701          -5301.5935     -2731.4985    921491.4634     -5301.5935     -2731.4985

ENERGY:     233     20035.6402     19318.2042      5703.4910       182.6157        -334889.2829     21760.7377         0.0000         0.0000     45350.0988        -222538.4952       164.9712   -267888.5940   -222089.6821       164.9712          -3899.2114     -2646.7386    921491.4634     -3899.2114     -2646.7386

ENERGY:     234     18553.6065     18856.0075      5702.3325       181.3395        -333642.4871     21712.9299         0.0000         0.0000     46049.0872        -222587.1839       167.5139   -268636.2711   -222086.3330       167.5139          -2187.7191     -2534.9736    921491.4634     -2187.7191     -2534.9736

ENERGY:     235     19419.0964     18603.4161      5705.8180       179.9133        -332789.1749     21702.6097         0.0000         0.0000     44750.4957        -222427.8257       162.7900   -267178.3214   -222083.1203       162.7900           -820.1736     -2429.4348    921491.4634      -820.1736     -2429.4348

ENERGY:     236     20566.0777     18629.1001      5714.2865       178.3391        -332585.8846     21721.5013         0.0000         0.0000     43477.4013        -222299.1786       158.1588   -265776.5799   -222073.0117       158.1588           -108.6482     -2371.7043    921491.4634      -108.6482     -2371.7043

ENERGY:     237     20196.0058     18940.2031      5726.8243       176.7459        -333068.3185     21749.0157         0.0000         0.0000     43898.3779        -222381.1457       159.6902   -266279.5237   -222063.3603       159.6902           -172.1589     -2373.2011    921491.4634      -172.1589     -2373.2011

ENERGY:     238     19419.4414     19404.0884      5740.6977       175.0128        -333964.3152     21778.9044         0.0000         0.0000     44901.2436        -222544.9268       163.3384   -267446.1704   -222065.9776       163.3384           -987.6014     -2425.5309    921491.4634      -987.6014     -2425.5309

ENERGY:     239     20428.8617     19846.5440      5752.8836       173.1946        -334966.8377     21816.7510         0.0000         0.0000     44416.4633        -222532.1395       161.5749   -266948.6028   -222068.9823       161.5749          -2385.1782     -2499.0795    921491.4634     -2385.1782     -2499.0795

TIMING: 240  CPU: 114.628, 0.471874/step  Wall: 114.628, 0.471874/step, 0.0340798 hours remaining, 3223.277344 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:     240     22861.0420     20119.9134      5760.6909       171.4212        -335766.3625     21854.4254         0.0000         0.0000     42641.4776        -222357.3918       155.1180   -264998.8694   -222074.0952       155.1180          -3844.9085     -2568.3896    921491.4634     -3844.9085     -2568.3896

ENERGY:     241     23920.0052     20195.4872      5762.7124       169.9827        -336129.3250     21865.1033         0.0000         0.0000     41957.8936        -222258.1406       152.6313   -264216.0342   -222063.9157       152.6313          -4724.4491     -2616.3453    921491.4634     -4724.4491     -2616.3453

ENERGY:     242     22110.7715     20111.8207      5758.5348       169.0441        -335904.8193     21831.0568         0.0000         0.0000     43526.8720        -222396.7194       158.3388   -265923.5914   -222063.5735       158.3388          -4623.1688     -2633.0913    921491.4634     -4623.1688     -2633.0913

ENERGY:     243     19462.3619     19969.6444      5749.3614       168.8705        -335233.7065     21770.4749         0.0000         0.0000     45537.0690        -222575.9244       165.6513   -268112.9934   -222061.6673       165.6513          -3760.4504     -2614.6992    921491.4634     -3760.4504     -2614.6992

ENERGY:     244     18822.2464     19849.3933      5737.4544       169.6534        -334482.6009     21720.5677         0.0000         0.0000     45629.1663        -222554.1194       165.9864   -268183.2857   -222078.7771       165.9864          -2667.7297     -2573.2149    921491.4634     -2667.7297     -2573.2149

ENERGY:     245     20148.2368     19811.7598      5725.7784       171.4559        -334087.5947     21701.2471         0.0000         0.0000     44168.5249        -222360.5918       160.6730   -266529.1166   -222068.6366       160.6730          -1771.6901     -2533.5454    921491.4634     -1771.6901     -2533.5454

ENERGY:     246     20878.5482     19853.7023      5716.8932       174.1558        -334213.1207     21705.0851         0.0000         0.0000     43600.4183        -222284.3178       158.6063   -265884.7361   -222067.4296       158.6063          -1173.7930     -2523.3912    921491.4634     -1173.7930     -2523.3912

ENERGY:     247     19868.5288     19979.6439      5712.7400       177.5412        -334802.1845     21719.8455         0.0000         0.0000     44912.1913        -222431.6937       163.3782   -267343.8850   -222068.1394       163.3782           -983.0001     -2552.5930    921491.4634      -983.0001     -2552.5930

ENERGY:     248     19035.4927     20164.4295      5713.8450       181.3144        -335623.1354     21746.4312         0.0000         0.0000     46185.9363        -222595.6864       168.0117   -268781.6226   -222090.3126       168.0117          -1359.1248     -2608.3066    921491.4634     -1359.1248     -2608.3066

ENERGY:     249     20484.3306     20353.6192      5719.1623       185.0800        -336433.0067     21788.9034         0.0000         0.0000     45370.8153        -222531.0958       165.0466   -267901.9111   -222082.9710       165.0466          -2308.0287     -2671.2385    921491.4634     -2308.0287     -2671.2385

ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     250     23155.2056     20422.5256      5726.1009       188.5682        -336907.4409     21832.9290         0.0000         0.0000     43252.1660        -222329.9456       157.3395   -265582.1116   -222084.2877       157.3395          -3365.2094     -2722.3879    921491.4634     -3365.2094     -2722.3879

ENERGY:     251     24002.1397     20302.5995      5731.6573       191.5295        -336816.8447     21849.8674         0.0000         0.0000     42475.2393        -222263.8120       154.5132   -264739.0513   -222084.8988       154.5132          -3958.0337     -2753.0723    921491.4634     -3958.0337     -2753.0723

ENERGY:     252     21994.9040     20013.1599      5733.2541       193.8023        -336093.2676     21826.9296         0.0000         0.0000     43905.3721        -222425.8457       159.7157   -266331.2178   -222091.3306       159.7157          -3843.4679     -2758.0338    921491.4634     -3843.4679     -2758.0338

ENERGY:     253     19499.8636     19667.1122      5729.5496       195.2411        -334977.1807     21784.0537         0.0000         0.0000     45520.0192        -222581.3413       165.5893   -268101.3605   -222082.7206       165.5893          -3300.1271     -2735.8131    921491.4634     -3300.1271     -2735.8131

ENERGY:     254     19073.0881     19348.2296      5720.5008       195.9622        -333839.8799     21752.6525         0.0000         0.0000     45220.9195        -222528.5273       164.5013   -267749.4468   -222080.4687       164.5013          -2707.1336     -2696.1700    921491.4634     -2707.1336     -2696.1700

ENERGY:     255     20324.2311     19109.4102      5707.6062       196.0620        -333099.9235     21746.1516         0.0000         0.0000     43667.4212        -222349.0412       158.8501   -266016.4624   -222078.3977       158.8501          -2282.5425     -2662.7814    921491.4634     -2282.5425     -2662.7814

ENERGY:     256     20899.4410     18950.9579      5693.4518       195.6570        -332975.5974     21757.6849         0.0000         0.0000     43181.1612        -222297.2437       157.0812   -265478.4049   -222071.2739       157.0812          -2042.2410     -2664.5198    921491.4634     -2042.2410     -2664.5198

ENERGY:     257     20029.5655     18878.1874      5681.1759       194.7976        -333481.0041     21780.2420         0.0000         0.0000     44488.5468        -222428.4890       161.8371   -266917.0358   -222060.1683       161.8371          -2035.5363     -2692.1441    921491.4634     -2035.5363     -2692.1441

ENERGY:     258     19453.5868     18882.0666      5673.2911       193.6684        -334373.1547     21817.5079         0.0000         0.0000     45796.2578        -222556.7761       166.5942   -268353.0339   -222062.0607       166.5942          -2331.2329     -2737.1919    921491.4634     -2331.2329     -2737.1919

ENERGY:     259     20717.7709     18984.1028      5671.3007       192.3773        -335369.5278     21871.0067         0.0000         0.0000     45431.1555        -222501.8138       165.2661   -267932.9694   -222063.7306       165.2661          -2890.3670     -2780.4960    921491.4634     -2890.3670     -2780.4960

TIMING: 260  CPU: 124.057, 0.471459/step  Wall: 124.057, 0.471459/step, 0.0314306 hours remaining, 3223.656250 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:     260     22744.9541     19188.2461      5675.1875       191.0393        -336169.7729     21924.7894         0.0000         0.0000     44083.4306        -222362.1257       160.3634   -266445.5563   -222069.6813       160.3634          -3407.4792     -2810.9877    921491.4634     -3407.4792     -2810.9877

ENERGY:     261     23215.5571     19485.4654      5683.6413       189.7700        -336523.9799     21953.3903         0.0000         0.0000     43676.0234        -222320.1323       158.8814   -265996.1557   -222052.8236       158.8814          -3555.3692     -2822.8647    921491.4634     -3555.3692     -2822.8647

ENERGY:     262     21606.2723     19814.6776      5694.0656       188.7122        -336291.7858     21947.6075         0.0000         0.0000     44601.6346        -222438.8160       162.2485   -267040.4506   -222052.4323       162.2485          -3214.7558     -2810.4636    921491.4634     -3214.7558     -2810.4636

ENERGY:     263     19781.1227     20140.5621      5703.8103       187.9445        -335614.9712     21924.4741         0.0000         0.0000     45349.7771        -222527.2804       164.9700   -267877.0575   -222051.1547       164.9700          -2647.8113     -2773.3902    921491.4634     -2647.8113     -2773.3902

ENERGY:     264     19385.2259     20436.4304      5710.6950       187.5052        -334855.9510     21907.7773         0.0000         0.0000     44751.4784        -222476.8388       162.7936   -267228.3172   -222069.1982       162.7936          -2191.1925     -2723.5293    921491.4634     -2191.1925     -2723.5293

ENERGY:     265     19946.8415     20681.9924      5713.6241       187.4392        -334395.6632     21906.0164         0.0000         0.0000     43607.6375        -222352.1120       158.6326   -265959.7495   -222054.3371       158.6326          -2038.0573     -2683.6034    921491.4634     -2038.0573     -2683.6034

ENERGY:     266     20048.7899     20788.8699      5712.1327       187.6137        -334399.4578     21914.4806         0.0000         0.0000     43399.3798        -222348.1911       157.8750   -265747.5709   -222054.3633       157.8750          -2130.7242     -2664.5956    921491.4634     -2130.7242     -2664.5956

ENERGY:     267     19648.0907     20691.2677      5707.0583       187.8501        -334831.4857     21930.8375         0.0000         0.0000     44220.2169        -222446.1645       160.8610   -266666.3814   -222055.6584       160.8610          -2435.4236     -2662.6783    921491.4634     -2435.4236     -2662.6783

ENERGY:     268     19962.9162     20375.7514      5700.1930       187.9286        -335513.7451     21959.1258         0.0000         0.0000     44823.5378        -222504.2923       163.0557   -267327.8301   -222075.9874       163.0557          -2903.2126     -2658.6181    921491.4634     -2903.2126     -2658.6181

ENERGY:     269     21396.7814     19927.1701      5694.0390       187.7640        -336221.0663     21997.2161         0.0000         0.0000     44586.5100        -222431.5856       162.1935   -267018.0957   -222066.1971       162.1935          -3401.4129     -2647.2949    921491.4634     -3401.4129     -2647.2949

ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     270     22620.1932     19450.9167      5690.3173       187.1618        -336650.6775     22028.8071         0.0000         0.0000     44308.0076        -222365.2736       161.1804   -266673.2813   -222067.0432       161.1804          -3583.3633     -2617.7583    921491.4634     -3583.3633     -2617.7583

ENERGY:     271     22345.5822     19078.8065      5690.0209       186.1610        -336571.7891     22035.2502         0.0000         0.0000     44829.4473        -222406.5210       163.0772   -267235.9683   -222066.8384       163.0772          -3261.2173     -2569.2622    921491.4634     -3261.2173     -2569.2622

ENERGY:     272     21021.5583     18896.0662      5692.8269       184.9335        -335921.4613     22015.0581         0.0000         0.0000     45607.7076        -222503.3109       165.9083   -268111.0184   -222081.1570       165.9083          -2551.9682     -2501.8804    921491.4634     -2551.9682     -2501.8804

ENERGY:     273     20123.2135     18932.9081      5697.5118       183.8526        -334925.7011     21985.5297         0.0000         0.0000     45502.7160        -222499.9694       165.5264   -268002.6855   -222069.0458       165.5264          -1837.1973     -2434.6760    921491.4634     -1837.1973     -2434.6760

ENERGY:     274     20074.7415     19121.4863      5701.6806       183.0070        -333931.6256     21965.2977         0.0000         0.0000     44478.5175        -222406.8951       161.8006   -266885.4126   -222066.8027       161.8006          -1366.5212     -2384.6634    921491.4634     -1366.5212     -2384.6634

ENERGY:     275     20005.4317     19374.0681      5703.3424       182.5376        -333318.5603     21960.8300         0.0000         0.0000     43741.9683        -222350.3823       159.1213   -266092.3506   -222065.7691       159.1213          -1269.7931     -2374.8869    921491.4634     -1269.7931     -2374.8869

ENERGY:     276     19401.8503     19594.7508      5701.2547       182.4904        -333292.1280     21971.0410         0.0000         0.0000     44028.5272        -222412.2137       160.1637   -266440.7409   -222072.9392       160.1637          -1580.1301     -2417.6040    921491.4634     -1580.1301     -2417.6040

ENERGY:     277     19149.2974     19724.7159      5695.5210       182.9396        -333864.3453     21997.2388         0.0000         0.0000     44632.8112        -222481.8215       162.3619   -267114.6327   -222061.0985       162.3619          -2311.7546     -2498.0545    921491.4634     -2311.7546     -2498.0545

ENERGY:     278     20199.4579     19713.7759      5686.9122       183.6585        -334821.1003     22041.3360         0.0000         0.0000     44532.2541        -222463.7058       161.9961   -266995.9599   -222063.4128       161.9961          -3254.8158     -2593.7696    921491.4634     -3254.8158     -2593.7696

ENERGY:     279     21984.3650     19593.9430      5677.5176       184.5187        -335888.5799     22096.4200         0.0000         0.0000     43975.0880        -222376.7276       159.9693   -266351.8157   -222065.2021       159.9693          -4044.3214     -2682.8389    921491.4634     -4044.3214     -2682.8389

TIMING: 280  CPU: 133.475, 0.470925/step  Wall: 133.475, 0.470925/step, 0.0287787 hours remaining, 3223.656250 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     22859.3230     19458.4365      5670.0026       185.3899        -336752.6631     22145.1355         0.0000         0.0000     44066.7339        -222367.6417       160.3027   -266434.3756   -222073.4245       160.3027          -4286.3893     -2748.0546    921491.4634     -4286.3893     -2748.0546

ENERGY:     281     22172.5958     19445.1182      5667.0588       186.2206        -337154.6801     22172.1193         0.0000         0.0000     45063.2423        -222448.3251       163.9277   -267511.5674   -222064.8517       163.9277          -3881.2949     -2782.5902    921491.4634     -3881.2949     -2782.5902

ENERGY:     282     20943.7897     19615.5378      5669.9796       186.8360        -336942.5031     22176.7655         0.0000         0.0000     45823.3370        -222526.2576       166.6927   -268349.5946   -222063.3314       166.6927          -2992.3269     -2779.3667    921491.4634     -2992.3269     -2779.3667

ENERGY:     283     20432.1059     19966.6614      5678.8137       187.1634        -336251.9198     22171.0649         0.0000         0.0000     45328.8520        -222487.2585       164.8939   -267816.1105   -222060.8458       164.8939          -2008.7734     -2748.2306    921491.4634     -2008.7734     -2748.2306

ENERGY:     284     20506.3998     20401.8821      5692.0830       187.1346        -335412.6298     22166.2911         0.0000         0.0000     44071.4480        -222387.3912       160.3198   -266458.8393   -222061.5538       160.3198          -1267.2789     -2712.3901    921491.4634     -1267.2789     -2712.3901

ENERGY:     285     20203.3287     20789.9628      5707.3565       186.7145        -334827.1965     22167.0167         0.0000         0.0000     43418.2631        -222354.5543       157.9437   -265772.8174   -222053.5965       157.9437          -1010.8437     -2700.0819    921491.4634     -1010.8437     -2700.0819

ENERGY:     286     19396.6311     20966.5622      5721.5031       185.8229        -334658.1149     22176.6864         0.0000         0.0000     43785.6881        -222425.2210       159.2803   -266210.9091   -222054.0580       159.2803          -1306.7503     -2717.2846    921491.4634     -1306.7503     -2717.2846

ENERGY:     287     19176.1193     20856.7822      5731.9346       184.4714        -334918.1481     22200.2912         0.0000         0.0000     44282.9437        -222485.6057       161.0892   -266768.5494   -222055.7251       161.0892          -2148.9614     -2753.3344    921491.4634     -2148.9614     -2753.3344

ENERGY:     288     20263.2090     20475.2851      5736.9557       182.7335        -335468.3151     22237.9039         0.0000         0.0000     44116.9904        -222455.2375       160.4855   -266572.2279   -222066.9052       160.4855          -3310.5881     -2790.1554    921491.4634     -3310.5881     -2790.1554

ENERGY:     289     21886.4835     19928.6979      5736.1905       180.7560        -336126.9124     22279.0692         0.0000         0.0000     43733.4512        -222382.2641       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

ENERGY:     290     22615.9844     19325.5266      5730.3279       178.6973        -336571.4574     22308.2176         0.0000         0.0000     44027.4234        -222385.2802       160.1597   -266412.7036   -222063.4683       160.1597          -4815.3286     -2796.0390    921491.4634     -4815.3286     -2796.0390

ENERGY:     291     22115.7701     18802.2910      5721.4122       176.7646        -336554.3557     22315.5632         0.0000         0.0000     44963.0864        -222459.4682       163.5634   -267422.5546   -222063.1774       163.5634          -4450.6672     -2738.1108    921491.4634     -4450.6672     -2738.1108

ENERGY:     292     21262.5908     18472.4017      5712.2431       175.1751        -335987.2697     22302.8786         0.0000         0.0000     45560.3452        -222501.6354       165.7360   -268061.9805   -222072.5160       165.7360          -3435.4153     -2639.3511    921491.4634     -3435.4153     -2639.3511

ENERGY:     293     20783.4659     18411.7343      5705.7252       174.1484        -335092.9703     22279.1183         0.0000         0.0000     45283.4158        -222455.3624       164.7286   -267738.7782   -222061.5453       164.7286          -2166.7333     -2517.2543    921491.4634     -2166.7333     -2517.2543

ENERGY:     294     20398.6127     18589.6436      5703.5791       173.8101        -334179.1785     22254.0801         0.0000         0.0000     44662.2336        -222397.2192       162.4689   -267059.4528   -222058.8850       162.4689          -1006.6040     -2405.5592    921491.4634     -1006.6040     -2405.5592

ENERGY:     295     19706.6742     18924.3583      5706.2255       174.2141        -333602.5015     22236.6571         0.0000         0.0000     44449.5910        -222404.7813       161.6954   -266854.3723   -222057.5860       161.6954           -311.5565     -2335.1538    921491.4634      -311.5565     -2335.1538

ENERGY:     296     19122.8993     19301.4532      5712.5929       175.3096        -333576.4725     22236.1191         0.0000         0.0000     44573.6027        -222454.4957       162.1465   -267028.0984   -222067.3936       162.1465           -347.2084     -2322.9739    921491.4634      -347.2084     -2322.9739

ENERGY:     297     19439.7492     19641.8016      5720.7182       176.9777        -334148.9754     22258.2527         0.0000         0.0000     44466.2676        -222445.2083       161.7561   -266911.4760   -222050.8184       161.7561          -1189.5389     -2359.0875    921491.4634     -1189.5389     -2359.0875

ENERGY:     298     20578.5049     19886.6663      5727.8935       178.9488        -335137.5239     22299.1413         0.0000         0.0000     44067.5343        -222398.8348       160.3056   -266466.3691   -222053.6273       160.3056          -2519.0815     -2427.9308    921491.4634     -2519.0815     -2427.9308

ENERGY:     299     21598.9657     20050.9659      5731.9440       180.9390        -336266.8203     22346.0660         0.0000         0.0000     43977.6322        -222380.3075       159.9785   -266357.9397   -222056.3725       159.9785          -3820.1264     -2506.2687    921491.4634     -3820.1264     -2506.2687

LDB: ============= START OF LOAD BALANCING ============== 148.824
LDB: Largest compute 200 load 0.519710 is 1.1% of average load 45.676168
LDB: Average compute 0.063978 is 0.1% of average load 45.676168
LDB: TIME 148.826 LOAD: AVG 45.6762 MAX 47.1693  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.11 MB
LDB: TIME 148.827 LOAD: AVG 45.6762 MAX 47.1693  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.11 MB
LDB: TIME 148.844 LOAD: AVG 45.6762 MAX 46.1922  PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.11 MB
LDB: ============== END OF LOAD BALANCING =============== 148.844
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.846
Info: Initial time: 4 CPUs 0.471413 s/step 5.45617 days/ns 3224.11 MB memory
TIMING: 300  CPU: 142.907, 0.471584/step  Wall: 142.907, 0.471584/step, 0.0261991 hours remaining, 3224.113281 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:     300     21869.9883     20174.1888      5731.6695       182.6816        -337209.9030     22385.4782         0.0000         0.0000     44423.7997        -222442.0971       161.6016   -266865.8967   -222076.5866       161.6016          -4600.9408     -2563.6018    921491.4634     -4600.9408     -2563.6018

ENERGY:     301     21754.7697     20299.7851      5727.3852       184.0330        -337665.0998     22409.6629         0.0000         0.0000     44817.7467        -222471.7172       163.0346   -267289.4639   -222059.2466       163.0346          -4657.8461     -2584.2292    921491.4634     -4657.8461     -2584.2292

ENERGY:     302     21723.0645     20395.7906      5720.2599       184.8676        -337483.0149     22416.9294         0.0000         0.0000     44599.2670        -222442.8358       162.2399   -267042.1028   -222057.3397       162.2399          -3958.8646     -2554.2735    921491.4634     -3958.8646     -2554.2735

ENERGY:     303     21512.5326     20430.0800      5712.5286       185.2198        -336784.9547     22409.2051         0.0000         0.0000     44154.6911        -222380.6977       160.6226   -266535.3887   -222054.2086       160.6226          -2717.2715     -2487.9821    921491.4634     -2717.2715     -2487.9821

ENERGY:     304     20579.5055     20379.6043      5706.6112       185.2163        -335895.7344     22392.3089         0.0000         0.0000     44259.5533        -222392.9348       161.0041   -266652.4881   -222063.7236       161.0041          -1310.8208     -2411.5370    921491.4634     -1310.8208     -2411.5370

ENERGY:     305     19294.2488     20267.1925      5704.5649       185.0761        -335184.3677     22377.9878         0.0000         0.0000     44903.5552        -222451.7424       163.3468   -267355.2977   -222049.0628       163.3468           -285.4664     -2359.8439    921491.4634      -285.4664     -2359.8439

ENERGY:     306     18813.6235     20091.4461      5706.8791       184.8700        -334861.4717     22380.1172         0.0000         0.0000     45195.6070        -222488.9286       164.4092   -267684.5357   -222048.9452       164.4092            -34.4476     -2342.9900    921491.4634       -34.4476     -2342.9900

ENERGY:     307     19699.8293     19880.2870      5712.8835       184.6555        -334994.2784     22404.6081         0.0000         0.0000     44676.1363        -222435.8787       162.5195   -267112.0150   -222050.4562       162.5195           -686.7127     -2362.0196    921491.4634      -686.7127     -2362.0196

ENERGY:     308     21066.5791     19666.1168      5720.7563       184.4262        -335495.7182     22443.3092         0.0000         0.0000     44039.4395        -222375.0910       160.2034   -266414.5305   -222060.2280       160.2034          -1960.6043     -2406.6006    921491.4634     -1960.6043     -2406.6006

ENERGY:     309     21696.0236     19507.1879      5728.2464       184.2113        -336171.4701     22480.8023         0.0000         0.0000     44190.3409        -222384.6577       160.7523   -266574.9986   -222050.0294       160.7523          -3383.0056     -2467.8898    921491.4634     -3383.0056     -2467.8898

ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     310     21508.7275     19421.0239      5732.7586       183.9063        -336693.8612     22505.8458         0.0000         0.0000     44871.0067        -222470.5923       163.2284   -267341.5990   -222052.4937       163.2284          -4424.6314     -2515.2222    921491.4634     -4424.6314     -2515.2222

ENERGY:     311     21459.6722     19421.2607      5732.5580       183.4896        -336798.7866     22515.0561         0.0000         0.0000     44986.9608        -222499.7891       163.6502   -267486.7499   -222053.3067       163.6502          -4795.7693     -2523.0992    921491.4634     -4795.7693     -2523.0992

ENERGY:     312     21894.2736     19475.0867      5727.0398       182.9545        -336390.8677     22507.7151         0.0000         0.0000     44171.5549        -222432.2430       160.6840   -266603.7980   -222064.5092       160.6840          -4390.5732     -2479.7745    921491.4634     -4390.5732     -2479.7745

ENERGY:     313     21935.6981     19529.7470      5717.1323       182.3602        -335633.4774     22483.0131         0.0000         0.0000     43439.9890        -222345.5377       158.0227   -265785.5267   -222050.9854       158.0227          -3324.4411     -2406.1159    921491.4634     -3324.4411     -2406.1159

ENERGY:     314     20774.0371     19507.1855      5704.6248       181.6523        -334801.1005     22445.5166         0.0000         0.0000     43813.5137        -222374.5705       159.3815   -266188.0842   -222048.2691       159.3815          -1862.2380     -2326.9765    921491.4634     -1862.2380     -2326.9765

ENERGY:     315     19161.1204     19408.2595      5692.2116       180.8666        -334233.4704     22410.8359         0.0000         0.0000     44907.4429        -222472.7335       163.3609   -267380.1764   -222046.1397       163.3609           -549.3941     -2270.2359    921491.4634      -549.3941     -2270.2359

ENERGY:     316     18669.4294     19303.6206      5682.5271       180.0732        -334172.3647     22398.3991         0.0000         0.0000     45428.4348        -222509.8805       165.2562   -267938.3153   -222062.0709       165.2562             64.5861     -2251.8058    921491.4634        64.5861     -2251.8058

ENERGY:     317     19739.5969     19309.4451      5677.5265       179.4130        -334705.9341     22416.0671         0.0000         0.0000     44959.2154        -222424.6701       163.5493   -267383.8855   -222046.6268       163.5493           -296.1490     -2282.4173    921491.4634      -296.1490     -2282.4173

ENERGY:     318     21109.3878     19471.3042      5677.4840       178.9393        -335675.6979     22454.1811         0.0000         0.0000     44425.4200        -222358.9816       161.6075   -266784.4016   -222048.7804       161.6075          -1378.4202     -2356.1401    921491.4634     -1378.4202     -2356.1401

ENERGY:     319     21567.4386     19787.0342      5681.4413       178.7485        -336801.6070     22496.5475         0.0000         0.0000     44691.1808        -222399.2161       162.5742   -267090.3969   -222051.9249       162.5742          -2725.8798     -2457.2025    921491.4634     -2725.8798     -2457.2025

TIMING: 320  CPU: 152.115, 0.460409/step  Wall: 152.115, 0.460409/step, 0.0230204 hours remaining, 3224.113281 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:     320     21393.3836     20196.2689      5687.3971       178.9168        -337738.1160     22532.5476         0.0000         0.0000     45250.4876        -222499.1144       164.6088   -267749.6020   -222076.2070       164.6088          -3895.6022     -2553.5002    921491.4634     -3895.6022     -2553.5002

ENERGY:     321     21615.1672     20628.0216      5693.0806       179.5146        -338181.7103     22557.3347         0.0000         0.0000     45018.7805        -222489.8110       163.7660   -267508.5915   -222064.2787       163.7660          -4609.2357     -2621.5362    921491.4634     -4609.2357     -2621.5362

ENERGY:     322     22179.0067     20957.0455      5696.1855       180.4970        -337965.9628     22565.0704         0.0000         0.0000     43989.5240        -222398.6337       160.0218   -266388.1576   -222063.6576       160.0218          -4596.8826     -2640.5012    921491.4634     -4596.8826     -2640.5012

ENERGY:     323     21976.7003     21085.8079      5695.4506       181.8003        -337194.0743     22550.8104         0.0000         0.0000     43361.4904        -222342.0145       157.7372   -265703.5049   -222061.4465       157.7372          -3808.3602     -2616.6943    921491.4634     -3808.3602     -2616.6943

ENERGY:     324     20558.5067     20952.0213      5690.8582       183.3007        -336170.3973     22520.5742         0.0000         0.0000     43857.2501        -222407.8862       159.5406   -266265.1363   -222068.7481       159.5406          -2506.6898     -2573.6930    921491.4634     -2506.6898     -2573.6930

ENERGY:     325     19096.1753     20584.7377      5683.7433       184.8441        -335297.0513     22494.0545         0.0000         0.0000     44763.3955        -222490.1009       162.8369   -267253.4964   -222060.9511       162.8369          -1264.0244     -2529.6545    921491.4634     -1264.0244     -2529.6545

ENERGY:     326     18959.6363     20052.8004      5675.9627       186.2078        -334820.0106     22490.4170         0.0000         0.0000     44971.8223        -222483.1641       163.5951   -267454.9864   -222059.6107       163.5951           -572.2142     -2503.0558    921491.4634      -572.2142     -2503.0558

ENERGY:     327     20020.7823     19506.2795      5669.7116       187.2139        -334851.2533     22513.0147         0.0000         0.0000     44550.7426        -222403.5088       162.0634   -266954.2514   -222059.8759       162.0634           -657.4993     -2506.5013    921491.4634      -657.4993     -2506.5013

ENERGY:     328     20934.1980     19092.0093      5666.7484       187.7399        -335303.4714     22549.7454         0.0000         0.0000     44493.2357        -222379.7947       161.8542   -266873.0304   -222061.7258       161.8542          -1393.2039     -2547.3518    921491.4634     -1393.2039     -2547.3518

ENERGY:     329     21066.6666     18910.0878      5668.0553       187.7546        -335996.4130     22586.9567         0.0000         0.0000     45124.3166        -222452.5754       164.1499   -267576.8920   -222059.3365       164.1499          -2499.2291     -2610.9951    921491.4634     -2499.2291     -2610.9951

ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     330     21142.6835     18933.5043      5673.1988       187.2569        -336566.3120     22617.7581         0.0000         0.0000     45495.0147        -222516.8956       165.4984   -268011.9103   -222062.1149       165.4984          -3602.9589     -2673.3211    921491.4634     -3602.9589     -2673.3211

ENERGY:     331     21864.6855     19091.0591      5680.9136       186.3262        -336735.1752     22637.2717         0.0000         0.0000     44806.2164        -222468.7028       162.9927   -267274.9192   -222063.3971       162.9927          -4373.7646     -2707.8810    921491.4634     -4373.7646     -2707.8810

ENERGY:     332     22513.8605     19292.8540      5689.3391       185.0892        -336383.5022     22636.4046         0.0000         0.0000     43697.6288        -222368.3260       158.9600   -266065.9548   -222061.8459       158.9600          -4514.5068     -2704.7030    921491.4634     -4514.5068     -2704.7030

ENERGY:     333     21854.9973     19482.7895      5696.6505       183.7309        -335681.4582     22608.9732         0.0000         0.0000     43501.2421        -222353.0747       158.2456   -265854.3168   -222052.0751       158.2456          -3943.3084     -2666.2161    921491.4634     -3943.3084     -2666.2161

ENERGY:     334     20023.4849     19603.2612      5701.0454       182.3864        -334880.5300     22564.8644         0.0000         0.0000     44357.3054        -222448.1824       161.3597   -266805.4878   -222049.6959       161.3597          -2855.3036     -2607.1876    921491.4634     -2855.3036     -2607.1876

ENERGY:     335     18726.9584     19647.0446      5701.6423       181.1975        -334325.9455     22528.7347         0.0000         0.0000     45026.6267        -222513.7413       163.7945   -267540.3680   -222047.5431       163.7945          -1753.1268     -2542.6964    921491.4634     -1753.1268     -2542.6964

ENERGY:     336     19127.9136     19639.0991      5698.6022       180.2744        -334271.7857     22519.7000         0.0000         0.0000     44649.6650        -222456.5315       162.4232   -267106.1965   -222055.6200       162.4232          -1093.5005     -2488.8701    921491.4634     -1093.5005     -2488.8701

ENERGY:     337     20420.1636     19649.7060      5693.3319       179.7347        -334824.3560     22536.4225         0.0000         0.0000     43995.5999        -222349.3975       160.0439   -266344.9974   -222040.1024       160.0439          -1064.7184     -2460.5859    921491.4634     -1064.7184     -2460.5859

ENERGY:     338     21007.5748     19722.4640      5687.5590       179.5437        -335808.8623     22564.1946         0.0000         0.0000     44285.9174        -222361.6087       161.1000   -266647.5261   -222041.5957       161.1000          -1500.9500     -2462.8575    921491.4634     -1500.9500     -2462.8575

ENERGY:     339     20742.6012     19892.4863      5683.2969       179.6501        -336924.5163     22593.0220         0.0000         0.0000     45359.3480        -222474.1118       165.0048   -267833.4598   -222043.8629       165.0048          -2199.9377     -2485.1214    921491.4634     -2199.9377     -2485.1214

TIMING: 340  CPU: 161.327, 0.460576/step  Wall: 161.327, 0.460576/step, 0.0204701 hours remaining, 3224.113281 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:     340     20898.6069     20139.5371      5681.9995       179.9655        -337821.3683     22621.7138         0.0000         0.0000     45758.5730        -222540.9725       166.4571   -268299.5454   -222070.3953       166.4571          -2966.9709     -2503.9484    921491.4634     -2966.9709     -2503.9484

ENERGY:     341     22051.8627     20407.8962      5684.3134       180.4786        -338209.1666     22646.3201         0.0000         0.0000     44797.5820        -222440.7137       162.9613   -267238.2957   -222054.5347       162.9613          -3585.3813     -2498.5442    921491.4634     -3585.3813     -2498.5442

ENERGY:     342     22895.9213     20582.1011      5689.2420       181.0293        -337942.4474     22653.2573         0.0000         0.0000     43612.4990        -222328.3975       158.6503   -265940.8965   -222054.3602       158.6503          -3711.7544     -2460.9855    921491.4634     -3711.7544     -2460.9855

ENERGY:     343     21993.5594     20596.8906      5695.1198       181.5548        -337132.3418     22633.1275         0.0000         0.0000     43686.5576        -222345.5322       158.9197   -266032.0898   -222053.2448       158.9197          -3217.8261     -2399.3476    921491.4634     -3217.8261     -2399.3476

ENERGY:     344     19898.5078     20447.2067      5699.9573       182.0106        -336095.2677     22596.5930         0.0000         0.0000     44790.9364        -222480.0558       162.9371   -267270.9922   -222071.3576       162.9371          -2338.1157     -2329.7491    921491.4634     -2338.1157     -2329.7491

ENERGY:     345     18694.7358     20199.0882      5702.3270       182.4513        -335224.1276     22568.7538         0.0000         0.0000     45351.4660        -222525.3054       164.9762   -267876.7714   -222058.0554       164.9762          -1576.2388     -2261.7959    921491.4634     -1576.2388     -2261.7959

ENERGY:     346     19350.9890     19892.9543      5701.0894       182.7368        -334783.0725     22565.1339         0.0000         0.0000     44652.5018        -222437.6672       162.4335   -267090.1690   -222056.8254       162.4335          -1239.3022     -2211.7781    921491.4634     -1239.3022     -2211.7781

ENERGY:     347     20669.8297     19583.9411      5696.3949       182.8447        -334881.4389     22581.1984         0.0000         0.0000     43831.1327        -222336.0974       159.4456   -266167.2301   -222056.9472       159.4456          -1358.8147     -2194.9212    921491.4634     -1358.8147     -2194.9212

ENERGY:     348     21062.2473     19315.9904      5689.3479       182.7918        -335425.6675     22604.2203         0.0000         0.0000     44195.9876        -222375.0821       160.7729   -266571.0697   -222064.0949       160.7729          -1766.2769     -2218.9158    921491.4634     -1766.2769     -2218.9158

ENERGY:     349     20718.9517     19143.3232      5681.9008       182.6959        -336197.3789     22630.4376         0.0000         0.0000     45349.6295        -222490.4402       164.9695   -267840.0696   -222056.3111       164.9695          -2336.6409     -2270.6250    921491.4634     -2336.6409     -2270.6250

ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     350     21009.3453     19066.8676      5675.7227       182.5405        -336836.8360     22661.9756         0.0000         0.0000     45710.0736        -222530.3107       166.2807   -268240.3843   -222058.0878       166.2807          -2896.5510     -2326.8868    921491.4634     -2896.5510     -2326.8868

ENERGY:     351     22235.3180     19085.8715      5672.3994       182.3761        -337072.3450     22693.2958         0.0000         0.0000     44770.4136        -222432.6706       162.8625   -267203.0842   -222058.6357       162.8625          -3254.0186     -2369.0508    921491.4634     -3254.0186     -2369.0508

ENERGY:     352     22912.9248     19180.1282      5672.7329       182.2243        -336794.7857     22708.6921         0.0000         0.0000     43795.3992        -222342.6842       159.3156   -266138.0834   -222059.3898       159.3156          -3190.0135     -2394.0290    921491.4634     -3190.0135     -2394.0290

ENERGY:     353     21825.9773     19344.0936      5676.6445       182.1014        -336147.6549     22699.4233         0.0000         0.0000     44043.1856        -222376.2291       160.2170   -266419.4148   -222047.6763       160.2170          -2709.1539     -2407.4664    921491.4634     -2709.1539     -2407.4664

ENERGY:     354     19814.0380     19544.5090      5682.7360       181.9868        -335375.1822     22676.8667         0.0000         0.0000     44983.0757        -222491.9699       163.6361   -267475.0456   -222046.2243       163.6361          -2040.9896     -2415.4742    921491.4634     -2040.9896     -2415.4742

ENERGY:     355     18879.8417     19773.7506      5689.2466       181.9196        -334823.9955     22664.4421         0.0000         0.0000     45120.2678        -222514.5271       164.1351   -267634.7949   -222044.8382       164.1351          -1600.3167     -2424.6827    921491.4634     -1600.3167     -2424.6827

ENERGY:     356     19622.4372     20015.8107      5694.4280       181.9402        -334758.7691     22674.4079         0.0000         0.0000     44153.0885        -222416.6565       160.6168   -266569.7451   -222053.0962       160.6168          -1622.0263     -2446.8266    921491.4634     -1622.0263     -2446.8266

ENERGY:     357     20687.2714     20255.1053      5697.1708       182.0215        -335288.0646     22700.2949         0.0000         0.0000     43438.0178        -222328.1830       158.0156   -265766.2008   -222042.2330       158.0156          -2061.3609     -2486.6663    921491.4634     -2061.3609     -2486.6663

ENERGY:     358     20785.4070     20424.8427      5696.9833       182.1295        -336225.9481     22730.2419         0.0000         0.0000     44019.5822        -222386.7615       160.1311   -266406.3438   -222043.9945       160.1311          -2636.8584     -2541.3593    921491.4634     -2636.8584     -2541.3593

ENERGY:     359     20493.6445     20484.4983      5694.4425       182.1894        -337270.5931     22762.0668         0.0000         0.0000     45152.8978        -222500.8539       164.2538   -267653.7517   -222046.1001       164.2538          -3161.2180     -2593.4281    921491.4634     -3161.2180     -2593.4281

TIMING: 360  CPU: 170.53, 0.460159/step  Wall: 170.53, 0.460159/step, 0.0178951 hours remaining, 3224.113281 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:     360     21112.5814     20418.0333      5690.9152       182.1442        -338077.5510     22797.1677         0.0000         0.0000     45362.4568        -222514.2524       165.0162   -267876.7092   -222065.3876       165.0162          -3505.9505     -2622.8572    921491.4634     -3505.9505     -2622.8572

ENERGY:     361     22462.8275     20259.6925      5688.3192       181.9496        -338397.1526     22827.2220         0.0000         0.0000     44580.8521        -222396.2897       162.1729   -266977.1418   -222052.4540       162.1729          -3542.5442     -2618.5019    921491.4634     -3542.5442     -2618.5019

ENERGY:     362     22808.6000     20031.2789      5688.3204       181.6678        -338079.7612     22835.7525         0.0000         0.0000     44200.9553        -222333.1862       160.7909   -266534.1415   -222051.2757       160.7909          -3087.0694     -2583.1905    921491.4634     -3087.0694     -2583.1905

ENERGY:     363     21303.6018     19794.1188      5692.1162       181.3427        -337235.0089     22818.0651         0.0000         0.0000     45033.6628        -222412.1015       163.8201   -267445.7643   -222049.5300       163.8201          -2242.6815     -2529.7064    921491.4634     -2242.6815     -2529.7064

ENERGY:     364     19323.8974     19612.6014      5699.8913       181.0103        -336175.1997     22790.5193         0.0000         0.0000     46034.3490        -222532.9310       167.4603   -268567.2800   -222068.5916       167.4603          -1420.0422     -2476.3757    921491.4634     -1420.0422     -2476.3757

ENERGY:     365     18830.5839     19548.3421      5710.7559       180.6856        -335316.0970     22775.7830         0.0000         0.0000     45760.0889        -222509.8574       166.4626   -268269.9464   -222057.4400       166.4626          -1100.2605     -2433.4823    921491.4634     -1100.2605     -2433.4823

ENERGY:     366     19854.2639     19578.5650      5722.5903       180.3919        -334923.1932     22780.3502         0.0000         0.0000     44422.2473        -222384.7846       161.5959   -266807.0319   -222057.2774       161.5959          -1392.6926     -2417.6863    921491.4634     -1392.6926     -2417.6863

ENERGY:     367     20741.0599     19662.8836      5732.9484       180.1165        -335098.3163     22794.3495         0.0000         0.0000     43662.6187        -222324.3398       158.8326   -265986.9585   -222058.3711       158.8326          -2104.1276     -2437.9269    921491.4634     -2104.1276     -2437.9269

ENERGY:     368     20561.5941     19748.2121      5739.6691       179.8275        -335728.0882     22808.6653         0.0000         0.0000     44272.8409        -222417.2792       161.0524   -266690.1200   -222068.2911       161.0524          -2928.4888     -2487.3069    921491.4634     -2928.4888     -2487.3069

ENERGY:     369     20346.9682     19812.6207      5741.6370       179.5048        -336580.3315     22825.3360         0.0000         0.0000     45155.6311        -222518.6339       164.2638   -267674.2649   -222061.1000       164.2638          -3666.9892     -2542.4573    921491.4634     -3666.9892     -2542.4573

ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     370     21302.3708     19815.7283      5738.6028       179.1429        -337296.0560     22846.3050         0.0000         0.0000     44920.4946        -222493.4115       163.4084   -267413.9061   -222062.2624       163.4084          -4081.4436     -2576.8189    921491.4634     -4081.4436     -2576.8189

ENERGY:     371     22799.2771     19758.4807      5731.5881       178.8004        -337606.4373     22861.3511         0.0000         0.0000     43904.8965        -222372.0432       159.7139   -266276.9397   -222061.9337       159.7139          -3956.1478     -2578.2816    921491.4634     -3956.1478     -2578.2816

ENERGY:     372     22964.3595     19665.2849      5722.4284       178.5955        -337391.7870     22854.0838         0.0000         0.0000     43672.6559        -222334.3790       158.8691   -266007.0350   -222060.3194       158.8691          -3189.3378     -2552.6171    921491.4634     -3189.3378     -2552.6171

ENERGY:     373     21253.1595     19603.3415      5713.4759       178.7080        -336784.3112     22822.4882         0.0000         0.0000     44782.9955        -222430.1426       162.9082   -267213.1381   -222050.3112       162.9082          -2037.0645     -2511.6655    921491.4634     -2037.0645     -2511.6655

ENERGY:     374     19285.9364     19613.0718      5706.5680       179.1985        -336019.1232     22785.5049         0.0000         0.0000     45912.3283        -222536.5153       167.0164   -268448.8436   -222048.2688       167.0164           -983.4302     -2469.0309    921491.4634      -983.4302     -2469.0309

ENERGY:     375     18893.7028     19735.2392      5703.0316       180.0533        -335443.7685     22766.6834         0.0000         0.0000     45660.9723        -222504.0859       166.1021   -268165.0582   -222047.0942       166.1021           -539.4858     -2439.8660    921491.4634      -539.4858     -2439.8660

ENERGY:     376     19884.0274     19962.1761      5703.2011       181.1433        -335321.8634     22772.8702         0.0000         0.0000     44434.3278        -222384.1175       161.6399   -266818.4453   -222050.5529       161.6399           -874.6222     -2439.6902    921491.4634      -874.6222     -2439.6902

ENERGY:     377     20646.4611     20251.1591      5706.5522       182.3248        -335763.5805     22794.3775         0.0000         0.0000     43848.2756        -222334.4302       159.5080   -266182.7058   -222041.4012       159.5080          -1819.5859     -2472.4985    921491.4634     -1819.5859     -2472.4985

ENERGY:     378     20473.8103     20495.6593      5711.4639       183.2952        -336584.2283     22821.5838         0.0000         0.0000     44474.7538        -222423.6620       161.7869   -266898.4158   -222044.3967       161.7869          -2972.9875     -2523.3498    921491.4634     -2972.9875     -2523.3498

ENERGY:     379     20419.4580     20623.8790      5716.2160       183.8420        -337495.6100     22854.5154         0.0000         0.0000     45185.6415        -222512.0581       164.3729   -267697.6996   -222047.0128       164.3729          -3997.4174     -2563.3072    921491.4634     -3997.4174     -2563.3072

TIMING: 380  CPU: 179.728, 0.459916/step  Wall: 179.728, 0.459916/step, 0.0153305 hours remaining, 3224.113281 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:     380     21458.1133     20605.4119      5719.3306       183.8284        -338176.3454     22892.6531         0.0000         0.0000     44833.7902        -222483.2179       163.0930   -267317.0081   -222063.6477       163.0930          -4580.2702     -2564.2100    921491.4634     -4580.2702     -2564.2100

ENERGY:     381     22824.3127     20467.0310      5720.1164       183.2929        -338395.2411     22923.6571         0.0000         0.0000     43906.3005        -222370.5306       159.7191   -266276.8311   -222053.0344       159.7191          -4470.7193     -2514.6119    921491.4634     -4470.7193     -2514.6119

ENERGY:     382     22844.1902     20220.4985      5718.3197       182.2157        -338010.6531     22930.5475         0.0000         0.0000     43766.5298        -222348.3517       159.2106   -266114.8815   -222051.0360       159.2106          -3524.7145     -2418.5487    921491.4634     -3524.7145     -2418.5487

ENERGY:     383     21263.6991     19910.9245      5714.6670       180.7420        -337128.0223     22911.2847         0.0000         0.0000     44707.9442        -222438.7608       162.6352   -267146.7051   -222048.1877       162.6352          -2023.0798     -2294.0130    921491.4634     -2023.0798     -2294.0130

ENERGY:     384     19625.4112     19596.0353      5710.5349       179.0647        -336052.0483     22884.2536         0.0000         0.0000     45539.1831        -222517.5656       165.6590   -268056.7486   -222062.0923       165.6590           -569.2376     -2166.9356    921491.4634      -569.2376     -2166.9356

ENERGY:     385     19327.8180     19356.8911      5707.7752       177.4354        -335210.6398     22871.6145         0.0000         0.0000     45299.7168        -222469.3887       164.7879   -267769.1055   -222051.0991       164.7879            215.3517     -2064.3635    921491.4634       215.3517     -2064.3635

ENERGY:     386     19981.2274     19220.9464      5707.6638       175.9384        -334865.1816     22880.7959         0.0000         0.0000     44519.8583        -222378.7513       161.9510   -266898.6097   -222051.0435       161.9510            122.6670     -2011.2426    921491.4634       122.6670     -2011.2426

ENERGY:     387     20367.2863     19202.4844      5710.9355       174.6759        -335109.8726     22905.2746         0.0000         0.0000     44377.1813        -222372.0347       161.4320   -266749.2160   -222053.0047       161.4320           -738.9585     -2019.1687    921491.4634      -738.9585     -2019.1687

ENERGY:     388     20282.3991     19280.0167      5717.2935       173.7038        -335824.1519     22938.2902         0.0000         0.0000     44972.7758        -222459.6728       163.5986   -267432.4486   -222067.4815       163.5986          -2063.8555     -2076.2820    921491.4634     -2063.8555     -2076.2820

ENERGY:     389     20685.9717     19431.2564      5725.6291       173.0778        -336772.2803     22978.5921         0.0000         0.0000     45279.3790        -222498.3743       164.7139   -267777.7533   -222059.2963       164.7139          -3501.7340     -2158.1991    921491.4634     -3501.7340     -2158.1991

ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     390     21929.5053     19598.7448      5733.9032       172.7580        -337596.2511     23021.3364         0.0000         0.0000     44698.9834        -222441.0200       162.6026   -267140.0034   -222061.4793       162.6026          -4540.4922     -2229.7772    921491.4634     -4540.4922     -2229.7772

ENERGY:     391     22937.3144     19764.3495      5740.3108       172.7562        -338017.7274     23051.7302         0.0000         0.0000     43987.0069        -222364.2595       160.0126   -266351.2664   -222061.6919       160.0126          -4746.5204     -2270.9346    921491.4634     -4746.5204     -2270.9346

ENERGY:     392     22488.0358     19924.0528      5743.6080       173.0775        -337898.4683     23055.0075         0.0000         0.0000     44125.3365        -222389.3502       160.5158   -266514.6867   -222067.3165       160.5158          -3965.0284     -2276.9601    921491.4634     -3965.0284     -2276.9601

ENERGY:     393     20924.3594     20087.8867      5743.5041       173.6901        -337346.1123     23032.5729         0.0000         0.0000     44913.3816        -222470.7175       163.3825   -267384.0992   -222058.1707       163.3825          -2525.7423     -2257.0109    921491.4634     -2525.7423     -2257.0109

ENERGY:     394     19713.0843     20210.4902      5740.1181       174.4904        -336587.4363     23002.1146         0.0000         0.0000     45247.1170        -222500.0216       164.5966   -267747.1387   -222054.8625       164.5966           -988.4115     -2227.7232    921491.4634      -988.4115     -2227.7232

ENERGY:     395     19644.4018     20265.5068      5734.3763       175.3161        -335972.1479     22982.1022         0.0000         0.0000     44739.8935        -222430.5512       162.7514   -267170.4447   -222052.2370       162.7514             57.9323     -2215.1746    921491.4634        57.9323     -2215.1746

ENERGY:     396     20000.9210     20248.4507      5727.6303       175.9620        -335765.9669     22978.8841         0.0000         0.0000     44270.3049        -222363.8139       161.0432   -266634.1187   -222050.8946       161.0432            285.8966     -2246.0847    921491.4634       285.8966     -2246.0847

ENERGY:     397     19906.7786     20200.7711      5721.4919       176.2273        -336102.8176     22990.0378         0.0000         0.0000     44712.8671        -222394.6438       162.6531   -267107.5109   -222042.6596       162.6531           -376.0863     -2327.2100    921491.4634      -376.0863     -2327.2100

ENERGY:     398     19692.8119     20133.3593      5716.9814       176.0456        -336812.3380     23014.0588         0.0000         0.0000     45592.7317        -222486.3493       165.8538   -268079.0810   -222045.7219       165.8538          -1710.2238     -2443.6963    921491.4634     -1710.2238     -2443.6963

ENERGY:     399     20395.5110     20061.2892      5714.6367       175.4775        -337634.0285     23050.4590         0.0000         0.0000     45731.2023        -222505.4528       166.3575   -268236.6551   -222049.1600       166.3575          -3349.4393     -2564.3618    921491.4634     -3349.4393     -2564.3618

LDB: ============= START OF LOAD BALANCING ============== 194.876
LDB: Largest compute 230 load 0.523314 is 1.1% of average load 45.649004
LDB: Average compute 0.063923 is 0.1% of average load 45.649004
LDB: TIME 194.878 LOAD: AVG 45.649 MAX 46.0301  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.11 MB
LDB: TIME 194.879 LOAD: AVG 45.649 MAX 46.0301  PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.11 MB
LDB: TIME 194.879 LOAD: AVG 45.649 MAX 46.0301  PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.11 MB
LDB: ============== END OF LOAD BALANCING =============== 194.879
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.88
Info: Benchmark time: 4 CPUs 0.460221 s/step 5.32663 days/ns 3224.11 MB memory
TIMING: 400  CPU: 188.933, 0.460239/step  Wall: 188.933, 0.460239/step, 0.0127844 hours remaining, 3224.113281 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:     400     21983.9558     19981.4882      5714.2278       174.7229        -338264.6726     23090.3531         0.0000         0.0000     44890.2679        -222429.6569       163.2985   -267319.9248   -222060.6830       163.2985          -4748.6078     -2656.9997    921491.4634     -4748.6078     -2656.9997

ENERGY:     401     23053.7072     19909.1478      5715.0562       174.0723        -338477.1019     23114.9570         0.0000         0.0000     44157.6673        -222352.4942       160.6335   -266510.1615   -222050.1988       160.6335          -5384.8813     -2700.1793    921491.4634     -5384.8813     -2700.1793

ENERGY:     402     22444.0478     19835.9108      5715.8942       173.8391        -338107.6281     23109.6381         0.0000         0.0000     44436.8092        -222391.4888       161.6489   -266828.2980   -222049.2224       161.6489          -4939.3791     -2681.7023    921491.4634     -4939.3791     -2681.7023

ENERGY:     403     20784.9693     19778.4827      5715.7218       174.2695        -337239.9777     23077.8405         0.0000         0.0000     45225.5956        -222483.0982       164.5183   -267708.6939   -222046.6852       164.5183          -3613.5974     -2605.7427    921491.4634     -3613.5974     -2605.7427

ENERGY:     404     19687.5951     19735.4027      5713.8114       175.5084        -336169.1132     23038.2903         0.0000         0.0000     45313.8387        -222504.6666       164.8393   -267818.5054   -222060.2368       164.8393          -1967.0742     -2494.0437    921491.4634     -1967.0742     -2494.0437

ENERGY:     405     19798.8800     19696.7723      5710.0281       177.6161        -335317.9341     23008.3950         0.0000         0.0000     44511.4431        -222414.7995       161.9204   -266926.2426   -222047.5587       161.9204           -627.4745     -2380.7861    921491.4634      -627.4745     -2380.7861

ENERGY:     406     20210.3504     19614.0441      5704.4965       180.4779        -334953.8232     22994.4765         0.0000         0.0000     43902.7660        -222347.2118       159.7062   -266249.9778   -222046.2401       159.7062             66.0354     -2300.4794    921491.4634        66.0354     -2300.4794

ENERGY:     407     20044.4890     19493.9062      5698.1032       183.8794        -335181.5229     22996.8163         0.0000         0.0000     44376.0632        -222388.2657       161.4279   -266764.3288   -222047.0768       161.4279            -41.3220     -2272.9968    921491.4634       -41.3220     -2272.9968

ENERGY:     408     19735.8474     19387.6641      5692.2152       187.5226        -335902.8218     23017.8175         0.0000         0.0000     45394.4119        -222487.3431       165.1324   -267881.7550   -222063.5311       165.1324           -920.8284     -2294.1556    921491.4634      -920.8284     -2294.1556

ENERGY:     409     20350.1191     19376.4605      5688.4775       191.1592        -336896.6846     23057.9923         0.0000         0.0000     45733.6057        -222498.8703       166.3663   -268232.4760   -222051.6704       166.3663          -2367.4923     -2346.9325    921491.4634     -2367.4923     -2346.9325

ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     410     21850.5213     19470.1800      5687.6650       194.4179        -337813.1845     23106.2029         0.0000         0.0000     45077.0716        -222427.1259       163.9780   -267504.1975   -222054.6426       163.9780          -3838.6214     -2402.0240    921491.4634     -3838.6214     -2402.0240

ENERGY:     411     22931.8002     19651.0974      5689.8741       197.0388        -338354.2243     23140.9045         0.0000         0.0000     44380.5349        -222362.9745       161.4442   -266743.5094   -222056.2114       161.4442          -4745.1592     -2436.8802    921491.4634     -4745.1592     -2436.8802

ENERGY:     412     22535.8951     19878.8219      5694.3234       198.8205        -338356.4974     23146.2935         0.0000         0.0000     44499.5087        -222402.8343       161.8770   -266902.3430   -222068.4599       161.8770          -4717.2139     -2436.3030    921491.4634     -4717.2139     -2436.3030

ENERGY:     413     21130.1417     20138.5247      5699.9334       199.7191        -337872.5318     23125.1114         0.0000         0.0000     45113.2146        -222465.8870       164.1095   -267579.1015   -222055.3453       164.1095          -3850.6269     -2398.9551    921491.4634     -3850.6269     -2398.9551

ENERGY:     414     19987.3855     20381.5505      5705.1135       199.5118        -337122.7798     23094.4555         0.0000         0.0000     45271.6531        -222483.1098       164.6858   -267754.7629   -222052.1624       164.6858          -2501.3242     -2333.9466    921491.4634     -2501.3242     -2333.9466

ENERGY:     415     19745.2666     20572.1259      5708.7452       198.1487        -336456.1973     23071.1988         0.0000         0.0000     44733.2277        -222427.4845       162.7272   -267160.7122   -222049.0346       162.7272          -1174.6454     -2266.5618    921491.4634     -1174.6454     -2266.5618

ENERGY:     416     19942.3171     20661.9896      5710.0857       195.6953        -336157.5859     23063.1711         0.0000         0.0000     44200.2854        -222384.0418       160.7885   -266584.3272   -222052.9641       160.7885           -282.7616     -2224.6899    921491.4634      -282.7616     -2224.6899

ENERGY:     417     20031.3752     20631.3209      5709.0494       192.4696        -336373.1073     23072.1093         0.0000         0.0000     44338.4622        -222398.3206       161.2911   -266736.7829   -222044.6990       161.2911           -112.4557     -2227.1701    921491.4634      -112.4557     -2227.1701

ENERGY:     418     20154.6651     20457.0908      5705.5848       188.6536        -336970.7863     23098.6720         0.0000         0.0000     44915.1426        -222450.9775       163.3889   -267366.1201   -222046.7090       163.3889           -671.8550     -2269.9923    921491.4634      -671.8550     -2269.9923

ENERGY:     419     20790.7633     20185.5522      5700.4811       184.6054        -337717.8750     23139.8016         0.0000         0.0000     45250.3104        -222466.3610       164.6082   -267716.6714   -222049.5947       164.6082          -1783.9426     -2336.6467    921491.4634     -1783.9426     -2336.6467

TIMING: 420  CPU: 198.103, 0.458501/step  Wall: 198.103, 0.458501/step, 0.0101889 hours remaining, 3224.113281 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:     420     21812.8760     19887.3909      5695.0415       180.6770        -338321.5503     23183.0566         0.0000         0.0000     45121.9779        -222440.5303       164.1414   -267562.5082   -222061.1146       164.1414          -3051.6033     -2402.9276    921491.4634     -3051.6033     -2402.9276

ENERGY:     421     22491.6106     19639.6134      5690.9238       177.2518        -338550.3523     23210.1375         0.0000         0.0000     44931.8961        -222408.9191       163.4499   -267340.8152   -222052.6017       163.4499          -4041.3727     -2452.8638    921491.4634     -4041.3727     -2452.8638

ENERGY:     422     22275.7613     19449.5347      5688.9977       174.4058        -338225.0300     23208.5465         0.0000         0.0000     45004.7083        -222423.0756       163.7148   -267427.7839   -222052.8448       163.7148          -4363.1152     -2465.6375    921491.4634     -4363.1152     -2465.6375

ENERGY:     423     21418.8983     19324.4270      5689.6737       172.2145        -337416.8939     23180.6029         0.0000         0.0000     45183.9712        -222447.1062       164.3669   -267631.0774   -222051.5231       164.3669          -3955.8306     -2434.9307    921491.4634     -3955.8306     -2434.9307

ENERGY:     424     20531.3307     19270.7813      5692.6543       170.6563        -336406.2745     23140.4634         0.0000         0.0000     45151.0457        -222449.3429       164.2471   -267600.3886   -222060.4125       164.2471          -3030.1607     -2370.2034    921491.4634     -3030.1607     -2370.2034

ENERGY:     425     19942.3358     19314.5605      5697.3263       169.6876        -335607.5187     23103.7908         0.0000         0.0000     44956.0481        -222423.7695       163.5377   -267379.8176   -222050.7961       163.5377          -1980.9653     -2297.0091    921491.4634     -1980.9653     -2297.0091

ENERGY:     426     19603.3346     19432.3066      5702.4947       169.0990        -335270.6858     23080.2880         0.0000         0.0000     44862.7384        -222420.4244       163.1983   -267283.1629   -222049.1088       163.1983          -1125.8052     -2237.7216    921491.4634     -1125.8052     -2237.7216

ENERGY:     427     19598.5317     19595.2894      5707.1504       168.7509        -335498.4302     23074.4994         0.0000         0.0000     44915.2775        -222438.9308       163.3894   -267354.2083   -222048.7336       163.3894           -741.9012     -2207.6356    921491.4634      -741.9012     -2207.6356

ENERGY:     428     20140.4230     19760.4167      5710.4629       168.5259        -336199.9838     23087.7664         0.0000         0.0000     44884.2595        -222448.1295       163.2766   -267332.3890   -222058.0548       163.2766           -935.5737     -2206.9587    921491.4634      -935.5737     -2206.9587

ENERGY:     429     21147.3677     19912.0616      5712.1358       168.3557        -337181.5893     23116.4508         0.0000         0.0000     44706.5245        -222418.6933       162.6300   -267125.2178   -222045.4879       162.6300          -1630.8090     -2233.4564    921491.4634     -1630.8090     -2233.4564

ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     430     22013.9873     20024.3736      5712.1700       168.1897        -338096.9191     23149.4480         0.0000         0.0000     44626.3100        -222402.4405       162.3383   -267028.7505   -222047.3913       162.3383          -2472.2460     -2268.0467    921491.4634     -2472.2460     -2268.0467

ENERGY:     431     22204.1022     20111.4152      5711.2600       168.0704        -338644.7630     23172.3792         0.0000         0.0000     44858.4629        -222419.0731       163.1828   -267277.5360   -222048.7168       163.1828          -3116.2808     -2293.5594    921491.4634     -3116.2808     -2293.5594

ENERGY:     432     21768.3703     20188.6725      5710.3547       168.1086        -338651.2084     23176.0833         0.0000         0.0000     45177.9908        -222461.6282       164.3451   -267639.6190   -222065.9055       164.3451          -3350.2742     -2296.1499    921491.4634     -3350.2742     -2296.1499

ENERGY:     433     21200.9070     20275.9665      5710.3763       168.4633        -338164.0621     23162.2899         0.0000         0.0000     45192.9283        -222453.1308       164.3995   -267646.0591   -222052.5979       164.3995          -3187.3732     -2272.1277    921491.4634     -3187.3732     -2272.1277

ENERGY:     434     20730.3409     20338.1501      5711.6061       169.3247        -337394.2688     23140.7724         0.0000         0.0000     44883.0998        -222420.9749       163.2724   -267304.0746   -222051.1459       163.2724          -2694.3107     -2227.7886    921491.4634     -2694.3107     -2227.7886

ENERGY:     435     20235.2198     20362.4017      5714.0003       170.8455        -336680.6540     23123.4087         0.0000         0.0000     44675.9839        -222398.7941       162.5190   -267074.7780   -222049.5886       162.5190          -2061.3582     -2179.8952    921491.4634     -2061.3582     -2179.8952

ENERGY:     436     19670.9243     20349.9983      5717.2346       173.0864        -336303.8800     23119.9068         0.0000         0.0000     44847.0982        -222425.6315       163.1414   -267272.7297   -222059.6957       163.1414          -1520.6600     -2145.1619    921491.4634     -1520.6600     -2145.1619

ENERGY:     437     19434.5518     20329.5093      5720.9894       175.9827        -336411.9775     23136.3859         0.0000         0.0000     45159.2685        -222455.2899       164.2770   -267614.5584   -222050.7501       164.2770          -1319.1172     -2134.4850    921491.4634     -1319.1172     -2134.4850

ENERGY:     438     19935.1534     20278.6096      5724.6884       179.3848        -336899.4568     23173.5512         0.0000         0.0000     45148.1322        -222459.9372       164.2365   -267608.0694   -222051.5666       164.2365          -1493.0945     -2145.0882    921491.4634     -1493.0945     -2145.0882

ENERGY:     439     21052.7407     20184.4296      5727.7929       183.0561        -337561.7711     23224.7476         0.0000         0.0000     44760.8211        -222428.1831       162.8276   -267189.0041   -222052.7963       162.8276          -1936.1992     -2169.8748    921491.4634     -1936.1992     -2169.8748

TIMING: 440  CPU: 207.27, 0.458334/step  Wall: 207.27, 0.458334/step, 0.00763891 hours remaining, 3224.113281 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     22071.5684     20036.2371      5729.7527       186.7201        -338123.1800     23276.2481         0.0000         0.0000     44417.5458        -222405.1078       161.5788   -266822.6536   -222059.4771       161.5788          -2408.4614     -2197.9672    921491.4634     -2408.4614     -2197.9672

ENERGY:     441     22355.5487     19860.0407      5730.3488       190.1145        -338361.1708     23313.2041         0.0000         0.0000     44502.6962        -222409.2177       161.8886   -266911.9139   -222050.0858       161.8886          -2716.1027     -2221.5313    921491.4634     -2716.1027     -2221.5313

ENERGY:     442     21853.6118     19664.5346      5729.4855       192.9411        -338090.1525     23327.1565         0.0000         0.0000     44880.6318        -222441.7912       163.2634   -267322.4229   -222049.7753       163.2634          -2710.5575     -2229.0696    921491.4634     -2710.5575     -2229.0696

ENERGY:     443     21064.3314     19487.0719      5727.6165       194.9329        -337369.3142     23320.0156         0.0000         0.0000     45118.1107        -222457.2352       164.1273   -267575.3460   -222048.5994       164.1273          -2448.1646     -2220.3530    921491.4634     -2448.1646     -2220.3530

ENERGY:     444     20449.3361     19357.2685      5725.4095       195.8734        -336464.1917     23301.5275         0.0000         0.0000     44987.7179        -222447.0588       163.6530   -267434.7767   -222057.9797       163.6530          -2090.2097     -2206.4399    921491.4634     -2090.2097     -2206.4399

ENERGY:     445     20125.5607     19307.2513      5723.6513       195.6942        -335759.3912     23283.8139         0.0000         0.0000     44708.7157        -222414.7042       162.6380   -267123.4198   -222046.5428       162.6380          -1846.9625     -2201.6925    921491.4634     -1846.9625     -2201.6925

ENERGY:     446     19947.6807     19324.9001      5722.5430       194.3235        -335494.5710     23276.0452         0.0000         0.0000     44620.2946        -222408.7839       162.3164   -267029.0785   -222046.1620       162.3164          -1800.7519     -2216.7293    921491.4634     -1800.7519     -2216.7293

ENERGY:     447     19914.2852     19416.0206      5722.2107       191.8641        -335769.4405     23282.7459         0.0000         0.0000     44816.5089        -222425.8050       163.0301   -267242.3139   -222046.8343       163.0301          -1993.3114     -2253.0603    921491.4634     -1993.3114     -2253.0603

ENERGY:     448     20187.5923     19583.6797      5722.5765       188.5554        -336503.1808     23303.8906         0.0000         0.0000     45065.6677        -222451.2185       163.9365   -267516.8862   -222059.3481       163.9365          -2372.1881     -2303.7899    921491.4634     -2372.1881     -2303.7899

ENERGY:     449     20877.4060     19832.6985      5723.5713       184.8596        -337500.9080     23334.5926         0.0000         0.0000     45101.1681        -222446.6120       164.0657   -267547.7801   -222047.7099       164.0657          -2827.1083     -2356.1407    921491.4634     -2827.1083     -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     21754.4854     20108.1300      5724.4776       181.0897        -338419.3258     23364.6246         0.0000         0.0000     44854.3098        -222432.2087       163.1677   -267286.5185   -222048.7861       163.1677          -3116.6757     -2394.3896    921491.4634     -3116.6757     -2394.3896

ENERGY:     451     22355.5903     20357.7256      5724.7144       177.6517        -338952.0916     23381.8011         0.0000         0.0000     44542.6986        -222411.9100       162.0341   -266954.6086   -222048.8246       162.0341          -3074.2532     -2405.7797    921491.4634     -3074.2532     -2405.7797

ENERGY:     452     22246.2015     20536.0135      5723.8954       174.8859        -338927.1542     23378.0948         0.0000         0.0000     44452.9195        -222415.1438       161.7075   -266868.0632   -222059.6369       161.7075          -2659.9603     -2384.7567    921491.4634     -2659.9603     -2384.7567

ENERGY:     453     21399.8724     20641.1312      5722.2879       173.1350        -338392.7938     23354.5912         0.0000         0.0000     44683.7033        -222418.0728       162.5470   -267101.7761   -222043.5370       162.5470          -2048.3335     -2342.4667    921491.4634     -2048.3335     -2342.4667

ENERGY:     454     20248.3378     20654.1375      5720.2218       172.3637        -337567.1418     23320.6906         0.0000         0.0000     45008.1464        -222443.2440       163.7273   -267451.3904   -222041.8389       163.7273          -1453.4576     -2293.1449    921491.4634     -1453.4576     -2293.1449

ENERGY:     455     19486.7906     20584.7121      5718.4844       172.5169        -336790.6455     23290.4028         0.0000         0.0000     45086.5785        -222451.1601       164.0126   -267537.7386   -222040.8568       164.0126          -1151.8822     -2255.8570    921491.4634     -1151.8822     -2255.8570

ENERGY:     456     19493.3723     20440.6801      5717.7556       173.4248        -336350.1077     23274.9636         0.0000         0.0000     44811.4719        -222438.4393       163.0118   -267249.9112   -222055.3484       163.0118          -1305.5002     -2245.5820    921491.4634     -1305.5002     -2245.5820

ENERGY:     457     20047.4931     20251.9435      5718.5580       174.9241        -336395.8165     23277.8280         0.0000         0.0000     44521.8698        -222403.2000       161.9583   -266925.0698   -222049.4130       161.9583          -1906.4164     -2263.5010    921491.4634     -1906.4164     -2263.5010

ENERGY:     458     20585.8435     20019.2722      5720.7061       176.6081        -336835.0957     23294.7178         0.0000         0.0000     44632.7883        -222405.1597       162.3618   -267037.9480   -222051.2820       162.3618          -2684.6987     -2301.0424    921491.4634     -2684.6987     -2301.0424

ENERGY:     459     20903.4944     19784.9689      5724.0022       178.1984        -337468.1639     23318.6988         0.0000         0.0000     45113.9361        -222444.8651       164.1121   -267558.8011   -222053.1409       164.1121          -3350.5830     -2341.5793    921491.4634     -3350.5830     -2341.5793

TIMING: 460  CPU: 216.438, 0.458391/step  Wall: 216.438, 0.458391/step, 0.00509324 hours remaining, 3224.113281 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     21262.6138     19597.9062      5728.0972       179.4910        -338014.3763     23341.8007         0.0000         0.0000     45423.8557        -222480.6117       165.2395   -267904.4674   -222064.6836       165.2395          -3669.8200     -2365.2410    921491.4634     -3669.8200     -2365.2410

ENERGY:     461     21862.8763     19507.1074      5732.5753       180.4333        -338251.6209     23355.3940         0.0000         0.0000     45154.6128        -222458.6219       164.2601   -267613.2347   -222058.0507       164.2601          -3556.1664     -2361.1797    921491.4634     -3556.1664     -2361.1797

ENERGY:     462     22264.2254     19487.8106      5736.4823       180.9531        -337988.7162     23351.1091         0.0000         0.0000     44559.9283        -222408.2075       162.0968   -266968.1357   -222056.7214       162.0968          -2954.8196     -2323.4249    921491.4634     -2954.8196     -2323.4249

ENERGY:     463     21821.1786     19513.9012      5738.9361       181.1160        -337284.1021     23326.9482         0.0000         0.0000     44313.4566        -222388.5653       161.2002   -266702.0219   -222054.6242       161.2002          -2012.4420     -2264.0777    921491.4634     -2012.4420     -2264.0777

ENERGY:     464     20535.2455     19559.9269      5739.2519       181.0096        -336389.3833     23291.1946         0.0000         0.0000     44654.0265        -222428.7283       162.4391   -267082.7548   -222058.5727       162.4391          -1050.9221     -2205.5265    921491.4634     -1050.9221     -2205.5265

ENERGY:     465     19322.7826     19631.8851      5737.2899       180.7155        -335701.1530     23259.7396         0.0000         0.0000     45094.5685        -222474.1719       164.0416   -267568.7404   -222052.9387       164.0416           -512.3343     -2174.4005    921491.4634      -512.3343     -2174.4005

ENERGY:     466     19088.4513     19708.3579      5733.2107       180.2808        -335443.7726     23245.0609         0.0000         0.0000     45020.7905        -222467.6205       163.7733   -267488.4110   -222052.9784       163.7733           -630.3313     -2182.6707    921491.4634      -630.3313     -2182.6707

ENERGY:     467     19841.8073     19783.1742      5727.6704       179.7757        -335721.0955     23249.4535         0.0000         0.0000     44523.6664        -222415.5481       161.9649   -266939.2145   -222054.3494       161.9649          -1393.6030     -2232.5921    921491.4634     -1393.6030     -2232.5921

ENERGY:     468     20761.8483     19845.4943      5721.5090       179.2779        -336451.5676     23265.8130         0.0000         0.0000     44291.6586        -222385.9665       161.1209   -266677.6251   -222056.3592       161.1209          -2508.6717     -2314.1339    921491.4634     -2508.6717     -2314.1339

ENERGY:     469     21236.3016     19910.2024      5715.6824       178.8504        -337458.3212     23284.3967         0.0000         0.0000     44720.3204        -222412.5674       162.6802   -267132.8879   -222046.0752       162.6802          -3596.7407     -2405.7972    921491.4634     -3596.7407     -2405.7972

ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     470     21411.1731     19972.8937      5710.9492       178.5947        -338383.2518     23297.0678         0.0000         0.0000     45346.4576        -222466.1158       164.9579   -267812.5734   -222047.6090       164.9579          -4259.6995     -2477.6831    921491.4634     -4259.6995     -2477.6831

ENERGY:     471     21732.8678     20054.6838      5707.9627       178.5890        -338913.2463     23297.5090         0.0000         0.0000     45471.3368        -222470.2972       165.4122   -267941.6340   -222047.5361       165.4122          -4290.5681     -2504.3175    921491.4634     -4290.5681     -2504.3175

ENERGY:     472     22081.2359     20161.5554      5707.0091       178.9047        -338870.6775     23279.4497         0.0000         0.0000     45028.5299        -222433.9928       163.8014   -267462.5227   -222059.5057       163.8014          -3659.7356     -2479.9183    921491.4634     -3659.7356     -2479.9183

ENERGY:     473     21866.1359     20289.3427      5707.9843       179.6165        -338307.7199     23240.7369         0.0000         0.0000     44634.5178        -222389.3858       162.3681   -267023.9036   -222043.8538       162.3681          -2556.3611     -2408.1656    921491.4634     -2556.3611     -2408.1656

ENERGY:     474     20842.9702     20372.0986      5710.2161       180.7466        -337438.4562     23189.2355         0.0000         0.0000     44733.2311        -222409.9580       162.7272   -267143.1892   -222041.2618       162.7272          -1295.5521     -2316.2726    921491.4634     -1295.5521     -2316.2726

ENERGY:     475     19674.2082     20371.7673      5712.9876       182.2512        -336604.2324     23142.3825         0.0000         0.0000     45070.2142        -222450.4215       163.9531   -267520.6356   -222039.4529       163.9531           -344.6447     -2232.2124    921491.4634      -344.6447     -2232.2124

ENERGY:     476     19235.7866     20282.0273      5715.7683       184.0125        -336100.0914     23115.8474         0.0000         0.0000     45106.0635        -222460.5858       164.0835   -267566.6493   -222053.6135       164.0835            -92.4050     -2183.0651    921491.4634       -92.4050     -2183.0651

ENERGY:     477     19704.7253     20145.9812      5718.4976       185.9230        -336101.8800     23114.2947         0.0000         0.0000     44812.3210        -222420.1371       163.0149   -267232.4582   -222044.8408       163.0149           -667.4947     -2171.8226    921491.4634      -667.4947     -2171.8226

ENERGY:     478     20493.4778     19974.7637      5721.0254       187.7262        -336537.4046     23131.2467         0.0000         0.0000     44627.0336        -222402.1312       162.3409   -267029.1647   -222047.4104       162.3409          -1807.1605     -2198.7954    921491.4634     -1807.1605     -2198.7954

ENERGY:     479     21125.3059     19793.3955      5723.3295       189.2099        -337215.5846     23156.6779         0.0000         0.0000     44802.1580        -222425.5080       162.9779   -267227.6660   -222050.5457       162.9779          -3089.8515     -2246.7915    921491.4634     -3089.8515     -2246.7915

TIMING: 480  CPU: 225.604, 0.458322/step  Wall: 225.604, 0.458322/step, 0.00254623 hours remaining, 3224.113281 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     21624.0328     19623.1962      5725.3111       190.1900        -337854.6792     23181.5126         0.0000         0.0000     45051.6815        -222458.7549       163.8856   -267510.4364   -222064.6209       163.8856          -4077.7325     -2291.4890    921491.4634     -4077.7325     -2291.4890

ENERGY:     481     22092.4853     19510.0431      5727.0953       190.6351        -338199.2485     23196.7966         0.0000         0.0000     45041.3369        -222440.8562       163.8480   -267482.1931   -222052.5264       163.8480          -4466.2390     -2305.6731    921491.4634     -4466.2390     -2305.6731

ENERGY:     482     22186.3464     19466.6791      5728.4964       190.3598        -338044.5421     23192.7482         0.0000         0.0000     44865.8523        -222414.0599       163.2096   -267279.9122   -222051.4111       163.2096          -4059.3093     -2278.0613    921491.4634     -4059.3093     -2278.0613

ENERGY:     483     21553.1409     19511.5742      5729.5660       189.3226        -337426.2188     23165.8748         0.0000         0.0000     44861.8974        -222414.8429       163.1953   -267276.7403   -222048.7671       163.1953          -2964.1717     -2216.4114    921491.4634     -2964.1717     -2216.4114

ENERGY:     484     20460.8924     19631.1936      5730.2465       187.5455        -336590.8892     23126.1359         0.0000         0.0000     45003.6035        -222451.2718       163.7107   -267454.8754   -222059.8743       163.7107          -1565.2422     -2143.1849    921491.4634     -1565.2422     -2143.1849

ENERGY:     485     19688.7723     19800.2989      5730.5256       185.2458        -335902.5876     23092.8477         0.0000         0.0000     44955.5726        -222449.3247       163.5360   -267404.8972   -222045.9607       163.5360           -422.1570     -2086.8736    921491.4634      -422.1570     -2086.8736

ENERGY:     486     19602.5431     19954.8176      5729.7198       182.4662        -335612.3579     23080.3814         0.0000         0.0000     44645.9116        -222416.5183       162.4096   -267062.4298   -222044.6762       162.4096             87.3177     -2070.0983    921491.4634        87.3177     -2070.0983

ENERGY:     487     19881.0929     20072.0214      5727.4348       179.4360        -335846.4494     23091.0550         0.0000         0.0000     44503.3493        -222392.0601       161.8910   -266895.4094   -222045.2408       161.8910           -192.2351     -2106.8841    921491.4634      -192.2351     -2106.8841

ENERGY:     488     20125.2101     20156.1364      5723.5441       176.4338        -336552.5462     23118.8622         0.0000         0.0000     44827.0557        -222425.3040       163.0685   -267252.3596   -222057.1937       163.0685          -1145.7536     -2194.6679    921491.4634     -1145.7536     -2194.6679

ENERGY:     489     20526.8873     20236.4612      5718.5749       173.8639        -337540.4663     23156.7315         0.0000         0.0000     45266.1003        -222461.8471       164.6656   -267727.9474   -222045.6084       164.6656          -2511.2406     -2316.7066    921491.4634     -2511.2406     -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     21410.7491     20292.9025      5712.8912       171.8438        -338458.1365     23196.4881         0.0000         0.0000     45213.5626        -222459.6991       164.4745   -267673.2617   -222048.2206       164.4745          -3823.4038     -2437.4154    921491.4634     -3823.4038     -2437.4154

ENERGY:     491     22430.4638     20312.1363      5707.3795       170.5404        -338984.5794     23226.0940         0.0000         0.0000     44733.0087        -222404.9566       162.7264   -267137.9654   -222049.4636       162.7264          -4629.6931     -2524.6214    921491.4634     -4629.6931     -2524.6214

ENERGY:     492     22612.9541     20289.6813      5702.9945       170.0208        -338937.5813     23232.7207         0.0000         0.0000     44542.1951        -222387.0149       162.0323   -266929.2100   -222060.3858       162.0323          -4606.8519     -2557.4729    921491.4634     -4606.8519     -2557.4729

ENERGY:     493     21558.2181     20260.7376      5700.7779       170.3201        -338358.0630     23214.0538         0.0000         0.0000     45033.8231        -222420.1324       163.8207   -267453.9555   -222046.5899       163.8207          -3796.3814     -2540.0996    921491.4634     -3796.3814     -2540.0996

ENERGY:     494     20068.3363     20225.0263      5700.9806       171.2193        -337454.3832     23183.0796         0.0000         0.0000     45622.2474        -222483.4938       165.9612   -268105.7412   -222044.0866       165.9612          -2500.8990     -2482.1069    921491.4634     -2500.8990     -2482.1069

ENERGY:     495     19383.2464     20186.8303      5703.5926       172.5416        -336566.9885     23159.4625         0.0000         0.0000     45484.1227        -222477.1923       165.4587   -267961.3150   -222041.5562       165.4587          -1249.6838     -2407.3056    921491.4634     -1249.6838     -2407.3056

ENERGY:     496     19722.4837     20130.6475      5708.0350       174.0933        -335998.7154     23154.2634         0.0000         0.0000     44699.5267        -222409.6657       162.6046   -267109.1924   -222049.0668       162.6046           -478.9000     -2343.4751    921491.4634      -478.9000     -2343.4751

ENERGY:     497     20212.6670     20059.9178      5713.4613       175.7242        -335952.5041     23166.3543         0.0000         0.0000     44261.0287        -222363.3508       161.0095   -266624.3795   -222042.7498       161.0095           -421.0236     -2316.7928    921491.4634      -421.0236     -2316.7928

ENERGY:     498     20182.0166     19957.1216      5718.5597       177.2604        -336366.4930     23189.3582         0.0000         0.0000     44728.2534        -222413.9231       162.7091   -267142.1765   -222044.5217       162.7091           -993.4683     -2331.6473    921491.4634      -993.4683     -2331.6473

ENERGY:     499     20158.0680     19847.7308      5722.4090       178.6361        -337058.4818     23219.2400         0.0000         0.0000     45439.2643        -222493.1337       165.2956   -267932.3980   -222047.2060       165.2956          -2020.8691     -2376.3391    921491.4634     -2020.8691     -2376.3391

Info: Benchmark time: 4 CPUs 0.457581 s/step 5.29608 days/ns 3224.11 MB memory
TIMING: 500  CPU: 234.691, 0.454364/step  Wall: 234.691, 0.454364/step, 0 hours remaining, 3224.113281 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     500     20974.8938     19756.6581      5724.4523       179.8271        -337741.4184     23251.1004         0.0000         0.0000     45359.0777        -222495.4090       165.0039   -267854.4867   -222061.0908       165.0039          -3197.5169     -2425.4143    921491.4634     -3197.5169     -2425.4143

WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.012 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.012 MB of memory in use
====================================================

WallClock: 241.527084  CPUTime: 241.527084  Memory: 3229.011719 MB
[Partition 0][Node 0] End of program
Application 102618500 resources: utime ~948s, stime ~20s, Rss ~126744, inblocks ~67012, outblocks ~72238
Displaying status file:
verified

[SSH] completed
[SSH] exit-status: 0

[workspace] $ /bin/sh -xe /tmp/jenkins8974589613551400018.sh
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/memory
Finished: SUCCESS