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ENERGY:      83     17463.4115     17611.3785      5761.4800       185.4557        -334548.5452     23165.5264         0.0000         0.0000     47631.4997        -222729.7934       173.2703   -270361.2931   -222380.8002       173.2703          -2245.6202     -2209.9239    921491.4634     -2245.6202     -2209.9239

ENERGY:      84     15692.0181     17521.7595      5761.2958       180.7102        -333070.6346     23043.3534         0.0000         0.0000     48072.9173        -222798.5803       174.8761   -270871.4976   -222420.9193       174.8761          -1264.6408     -2119.1646    921491.4634     -1264.6408     -2119.1646

ENERGY:      85     19034.4749     18377.7083      5761.3316       176.5397        -332350.3365     22972.2187         0.0000         0.0000     43641.9415        -222386.1218       158.7574   -266028.0633   -222396.4598       158.7574          -1101.4912     -2031.8233    921491.4634     -1101.4912     -2031.8233

ENERGY:      86     22361.2996     19720.3241      5758.5583       173.6091        -332514.8439     22921.5212         0.0000         0.0000     39480.2342        -222099.2974       143.6182   -261579.5316   -222396.4729       143.6182          -1408.4309     -1992.0456    921491.4634     -1408.4309     -1992.0456

ENERGY:      87     21898.5873     20858.8152      5750.7775       172.4431        -333299.4429     22859.7331         0.0000         0.0000     39513.3018        -222245.7848       143.7385   -261759.0866   -222398.3223       143.7385          -1739.2136     -2002.6067    921491.4634     -1739.2136     -2002.6067

ENERGY:      88     19807.2123     21236.1262      5737.2297       173.3188        -334313.4193     22793.0785         0.0000         0.0000     42007.3339        -222559.1199       152.8111   -264566.4538   -222408.9128       152.8111          -2036.3958     -2043.8954    921491.4634     -2036.3958     -2043.8954

ENERGY:      89     20138.2921     20745.5546      5719.3133       176.3160        -335202.8320     22743.6988         0.0000         0.0000     43113.7497        -222565.9075       156.8360   -265679.6572   -222389.0013       156.8360          -2409.8246     -2071.1686    921491.4634     -2409.8246     -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     22711.6047     19691.0675      5699.8921       181.1111        -335712.1129     22705.2746         0.0000         0.0000     42377.6758        -222345.4870       154.1583   -264723.1628   -222389.2092       154.1583          -2670.9831     -2080.5817    921491.4634     -2670.9831     -2080.5817

ENERGY:      91     23737.5988     18627.1144      5683.0577       187.2277        -335678.4155     22643.5819         0.0000         0.0000     42539.3829        -222260.4521       154.7466   -264799.8350   -222388.3580       154.7466          -2499.0953     -2078.8098    921491.4634     -2499.0953     -2078.8098

ENERGY:      92     21523.8221     18060.4535      5672.6738       194.0387        -335129.0785     22543.7115         0.0000         0.0000     44665.3078        -222469.0710       162.4801   -267134.3788   -222389.6060       162.4801          -1910.9683     -2078.9076    921491.4634     -1910.9683     -2078.9076

ENERGY:      93     18788.3598     18281.5994      5671.3717       200.9119        -334319.2924     22433.7892         0.0000         0.0000     46311.8833        -222631.3772       168.4699   -268943.2604   -222367.8862       168.4699          -1385.1719     -2068.2565    921491.4634     -1385.1719     -2068.2565

ENERGY:      94     18530.9328     19242.9914      5679.4418       207.1113        -333693.3061     22351.2077         0.0000         0.0000     45144.9170        -222536.7041       164.2248   -267681.6211   -222367.0866       164.2248          -1347.2601     -2063.4575    921491.4634     -1347.2601     -2063.4575

ENERGY:      95     20040.4586     20654.3436      5695.3527       212.0382        -333603.6977     22302.2586         0.0000         0.0000     42387.6996        -222311.5464       154.1948   -264699.2460   -222367.4635       154.1948          -1793.7083     -2083.6407    921491.4634     -1793.7083     -2083.6407

ENERGY:      96     20584.1064     22050.3788      5716.0483       215.1945        -334091.8991     22265.7317         0.0000         0.0000     40970.7075        -222289.7318       149.0402   -263260.4393   -222356.3662       149.0402          -2389.6990     -2142.8255    921491.4634     -2389.6990     -2142.8255

ENERGY:      97     19809.1308     22949.2011      5737.7476       216.2279        -334886.9640     22225.8322         0.0000         0.0000     41505.2397        -222443.5846       150.9847   -263948.8243   -222346.5816       150.9847          -2891.9374     -2214.1665    921491.4634     -2891.9374     -2214.1665

ENERGY:      98     19979.7555     22958.8353      5756.3117       214.8681        -335616.8430     22188.2114         0.0000         0.0000     41993.4226        -222525.4383       152.7605   -264518.8609   -222347.6399       152.7605          -3206.5489     -2272.3420    921491.4634     -3206.5489     -2272.3420

ENERGY:      99     22029.8950     22024.0795      5768.5777       211.0972        -336009.8228     22159.4702         0.0000         0.0000     41425.1768        -222391.5265       150.6934   -263816.7032   -222348.0706       150.6934          -3235.8097     -2296.7687    921491.4634     -3235.8097     -2296.7687

LDB: ============= START OF LOAD BALANCING ============== 54.149
LDB: Largest compute 200 load 0.430213 is 1.2% of average load 36.736824
LDB: Average compute 0.051460 is 0.1% of average load 36.736824
LDB: Partitioning computes with target load 3.673682
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055640
LDB: ============== END OF LOAD BALANCING =============== 54.1511
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.1519
Info: Initial time: 4 CPUs 0.472834 s/step 5.47261 days/ns 3221.52 MB memory
TIMING: 100  CPU: 48.253, 0.471758/step  Wall: 48.253, 0.471758/step, 0.0524175 hours remaining, 3221.515625 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     23587.3019     20475.3729      5773.0376       205.1509        -335896.4622     22125.7987         0.0000         0.0000     41455.8049        -222273.9952       150.8048   -263729.8001   -222326.1727       150.8048          -2788.3919     -2294.3880    921491.4634     -2788.3919     -2294.3880

ENERGY:     101     22287.2999     18933.8502      5770.3900       197.5201        -335238.2412     22065.3980         0.0000         0.0000     43590.2955        -222393.4876       158.5695   -265983.7831   -222319.4708       158.5695          -1880.2673     -2262.6846    921491.4634     -1880.2673     -2262.6846

ENERGY:     102     19420.3334     17951.6561      5762.8059       188.8891        -334088.2233     21980.7896         0.0000         0.0000     46153.7217        -222630.0276       167.8946   -268783.7492   -222317.3983       167.8946           -924.5794     -2215.2271    921491.4634      -924.5794     -2215.2271

ENERGY:     103     18429.6588     17794.2510      5753.5002       180.0834        -332765.4445     21898.9792         0.0000         0.0000     46061.5883        -222647.3836       167.5594   -268708.9719   -222315.0117       167.5594           -521.9323     -2162.1475    921491.4634      -521.9323     -2162.1475

ENERGY:     104     20135.5162     18313.1191      5745.4365       171.9705        -331716.6192     21838.6802         0.0000         0.0000     43114.8218        -222397.0750       156.8399   -265511.8968   -222300.0344       156.8399           -904.7453     -2132.5694    921491.4634      -904.7453     -2132.5694

ENERGY:     105     21674.8148     19112.5118      5740.5773       165.3638        -331353.5905     21791.8563         0.0000         0.0000     40663.3130        -222205.1535       147.9220   -262868.4665   -222297.2863       147.9220          -1781.0303     -2140.0925    921491.4634     -1781.0303     -2140.0925

ENERGY:     106     20688.3526     19760.1602      5739.0355       160.9482        -331684.6912     21743.4749         0.0000         0.0000     41270.8908        -222321.8291       150.1322   -263592.7198   -222299.8104       150.1322          -2687.8655     -2192.8737    921491.4634     -2687.8655     -2192.8737

ENERGY:     107     18828.1851     20041.3659      5739.7936       159.1631        -332486.5660     21693.8616         0.0000         0.0000     43452.4231        -222571.7737       158.0680   -266024.1968   -222302.3925       158.0680          -3435.4056     -2264.9714    921491.4634     -3435.4056     -2264.9714

ENERGY:     108     19374.7526     19955.6334      5740.9974       160.1493        -333435.9263     21654.4583         0.0000         0.0000     43952.1728        -222597.7627       159.8859   -266549.9354   -222305.0565       159.8859          -3989.5483     -2325.7046    921491.4634     -3989.5483     -2325.7046

ENERGY:     109     22394.0520     19651.8554      5740.7059       163.7566        -334323.6677     21623.9120         0.0000         0.0000     42380.9037        -222368.4821       154.1701   -264749.3858   -222289.2484       154.1701          -4162.2877     -2354.5142    921491.4634     -4162.2877     -2354.5142

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

ENERGY:     110     24310.7312     19315.3191      5736.8740       169.5643        -334907.1600     21583.6717         0.0000         0.0000     41568.0397        -222222.9601       151.2131   -263790.9997   -222288.3779       151.2131          -3608.1961     -2356.1915    921491.4634     -3608.1961     -2356.1915

ENERGY:     111     22660.5936     19186.3867      5728.6091       176.9885        -335028.8260     21518.8536         0.0000         0.0000     43385.4034        -222371.9912       157.8242   -265757.3945   -222286.8998       157.8242          -2331.3776     -2338.2312    921491.4634     -2331.3776     -2338.2312

ENERGY:     112     19381.8199     19463.5169      5716.4074       185.3624        -334677.6374     21440.9490         0.0000         0.0000     45860.8184        -222628.7634       166.8291   -268489.5819   -222302.4569       166.8291           -894.2292     -2309.1963    921491.4634      -894.2292     -2309.1963

ENERGY:     113     18216.1581     20180.8084      5702.4491       194.0323        -334046.4826     21376.2232         0.0000         0.0000     45761.5815        -222615.2300       166.4681   -268376.8115   -222273.7401       166.4681            -55.6425     -2273.8625    921491.4634       -55.6425     -2273.8625

ENERGY:     114     19843.9972     21062.4095      5689.3793       202.2945        -333472.4290     21337.7637         0.0000         0.0000     42964.6870        -222371.8977       156.2937   -265336.5847   -222272.2453       156.2937           -128.5964     -2261.6571    921491.4634      -128.5964     -2261.6571

ENERGY:     115     21448.4486     21679.6563      5680.2429       209.5308        -333239.9681     21316.4508         0.0000         0.0000     40710.1055        -222195.5332       148.0922   -262905.6388   -222272.7007       148.0922           -905.3248     -2296.5621    921491.4634      -905.3248     -2296.5621

ENERGY:     116     20838.2583     21694.4197      5677.2615       215.2237        -333429.0370     21301.4964         0.0000         0.0000     41385.0930        -222317.2845       150.5476   -263702.3775   -222276.5259       150.5476          -2000.5240     -2380.1424    921491.4634     -2000.5240     -2380.1424

ENERGY:     117     19309.7303     21105.1713      5681.4214       219.0426        -333858.2256     21295.0742         0.0000         0.0000     43733.0002        -222514.7856       159.0886   -266247.7858   -222254.7027       159.0886          -3196.9893     -2479.5443    921491.4634     -3196.9893     -2479.5443

ENERGY:     118     19488.7484     20180.1712      5691.5867       220.7069        -334305.8419     21303.6951         0.0000         0.0000     44852.5144        -222568.4192       163.1611   -267420.9336   -222257.5960       163.1611          -4287.8518     -2560.8627    921491.4634     -4287.8518     -2560.8627

ENERGY:     119     21608.8169     19327.4369      5705.7183       220.1523        -334582.5767     21318.6507         0.0000         0.0000     43971.5397        -222430.2619       159.9564   -266401.8016   -222258.7221       159.9564          -4948.0951     -2603.4635    921491.4634     -4948.0951     -2603.4635

LDB: ============= START OF LOAD BALANCING ============== 63.5708
LDB: ============== END OF LOAD BALANCING =============== 63.5709
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.5713
TIMING: 120  CPU: 57.6718, 0.47094/step  Wall: 57.6718, 0.47094/step, 0.0497104 hours remaining, 3221.792969 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     23278.7481     18843.5009      5721.1112       217.5091        -334559.3218     21317.8986         0.0000         0.0000     42838.0029        -222342.5511       155.8329   -265180.5539   -222260.9694       155.8329          -4802.3838     -2609.8233    921491.4634     -4802.3838     -2609.8233

ENERGY:     121     22753.8285     18833.9840      5735.1155       213.1885        -334109.3885     21287.1663         0.0000         0.0000     42902.9081        -222383.1977       156.0690   -265286.1057   -222238.8456       156.0690          -3789.7329     -2573.0323    921491.4634     -3789.7329     -2573.0323

ENERGY:     122     20911.3203     19183.7910      5744.9150       207.6394        -333246.0908     21235.0876         0.0000         0.0000     43471.2678        -222492.0698       158.1365   -265963.3376   -222236.2049       158.1365          -2259.2350     -2503.9466    921491.4634     -2259.2350     -2503.9466

ENERGY:     123     19716.6566     19702.2260      5748.9495       201.5075        -332195.6663     21181.3172         0.0000         0.0000     43159.1486        -222485.8610       157.0011   -265645.0096   -222233.3016       157.0011           -827.7758     -2423.1752    921491.4634      -827.7758     -2423.1752

ENERGY:     124     19701.7331     20151.8501      5747.1965       195.4812        -331340.9823     21138.0468         0.0000         0.0000     42008.6528        -222398.0219       152.8159   -264406.6747   -222234.8510       152.8159              8.3515     -2371.2952    921491.4634         8.3515     -2371.2952

ENERGY:     125     19961.8491     20319.7041      5741.5018       190.2907        -331002.3875     21106.9631         0.0000         0.0000     41347.6159        -222334.4629       150.4113   -263682.0788   -222218.5353       150.4113             16.1238     -2370.5229    921491.4634        16.1238     -2370.5229

ENERGY:     126     19913.8782     20060.3739      5734.4100       186.3237        -331257.3387     21089.4917         0.0000         0.0000     41888.6055        -222384.2557       152.3792   -264272.8612   -222220.0405       152.3792           -757.3347     -2430.8872    921491.4634      -757.3347     -2430.8872

ENERGY:     127     20034.1248     19457.5518      5728.8730       183.8512        -331985.2680     21088.4980         0.0000         0.0000     43047.2720        -222445.0973       156.5941   -265492.3693   -222223.2519       156.5941          -2122.5055     -2533.3235    921491.4634     -2122.5055     -2533.3235

ENERGY:     128     20681.9268     18818.3077      5727.0308       182.9174        -332977.2828     21101.0436         0.0000         0.0000     44006.3124        -222459.7440       160.0829   -266466.0564   -222232.5709       160.0829          -3698.9566     -2655.1908    921491.4634     -3698.9566     -2655.1908

ENERGY:     129     21368.2885     18554.7976      5729.8505       183.4688        -333997.8250     21115.0501         0.0000         0.0000     44607.0892        -222439.2804       162.2683   -267046.3696   -222215.2567       162.2683          -4993.9820     -2763.9222    921491.4634     -4993.9820     -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     21553.6086     18898.7761      5736.4508       185.0194        -334776.0136     21118.0422         0.0000         0.0000     44811.1496        -222472.9669       163.0106   -267284.1164   -222216.5366       163.0106          -5536.0554     -2842.3154    921491.4634     -5536.0554     -2842.3154

ENERGY:     131     21530.9954     19804.6628      5745.0872       187.0957        -335083.2643     21105.7069         0.0000         0.0000     44221.5102        -222488.2061       160.8657   -266709.7163   -222215.1807       160.8657          -5164.7862     -2872.9597    921491.4634     -5164.7862     -2872.9597

ENERGY:     132     21696.5182     20951.9798      5753.4447       189.2233        -334841.7368     21081.3851         0.0000         0.0000     42732.1266        -222437.0592       155.4477   -265169.1857   -222222.8148       155.4477          -4015.6409     -2856.5553    921491.4634     -4015.6409     -2856.5553

ENERGY:     133     21569.7010     21939.4306      5759.4053       191.1377        -334187.7139     21049.8506         0.0000         0.0000     41346.5714        -222331.6173       150.4075   -263678.1888   -222209.0244       150.4075          -2436.6193     -2806.2333    921491.4634     -2436.6193     -2806.2333

ENERGY:     134     20380.1719     22407.7422      5761.0449       192.4922        -333420.8526     21018.0949         0.0000         0.0000     41320.1608        -222341.1457       150.3114   -263661.3064   -222206.0449       150.3114           -846.9781     -2759.4268    921491.4634      -846.9781     -2759.4268

ENERGY:     135     18735.1493     22221.9401      5757.7067       193.2251        -332860.3442     20999.0422         0.0000         0.0000     42497.1275        -222456.1532       154.5929   -264953.2807   -222204.4872       154.5929            191.9082     -2745.1432    921491.4634       191.9082     -2745.1432

ENERGY:     136     18381.4540     21453.0792      5750.0867       193.4037        -332655.7490     21006.3295         0.0000         0.0000     43348.3539        -222523.0421       157.6894   -265871.3960   -222211.0697       157.6894            198.1849     -2776.3543    921491.4634       198.1849     -2776.3543

ENERGY:     137     19975.5716     20347.8313      5740.3098       193.2572        -332832.5920     21040.1067         0.0000         0.0000     43092.4468        -222443.0686       156.7585   -265535.5155   -222209.8941       156.7585           -927.2504     -2841.0685    921491.4634      -927.2504     -2841.0685

ENERGY:     138     21874.8524     19195.4801      5730.8549       192.8766        -333203.4345     21083.5324         0.0000         0.0000     42784.9638        -222340.8742       155.6399   -265125.8380   -222213.1818       155.6399          -2704.7055     -2927.3525    921491.4634     -2704.7055     -2927.3525

ENERGY:     139     22116.0295     18330.1124      5724.2506       192.4679        -333575.3363     21115.6332         0.0000         0.0000     43705.6788        -222391.1639       158.9892   -266096.8426   -222217.3491       158.9892          -4443.4107     -3015.1529    921491.4634     -4443.4107     -3015.1529

TIMING: 140  CPU: 67.083, 0.470562/step  Wall: 67.083, 0.470562/step, 0.0470562 hours remaining, 3221.976562 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     20992.5975     17997.1577      5722.1741       192.2140        -333726.9441     21127.4061         0.0000         0.0000     45144.2512        -222551.1435       164.2224   -267695.3947   -222224.0364       164.2224          -5617.7626     -3080.3638    921491.4634     -5617.7626     -3080.3638

ENERGY:     141     20605.2146     18251.9194      5725.3083       192.2642        -333525.1323     21120.3060         0.0000         0.0000     45039.8864        -222590.2334       163.8427   -267630.1197   -222215.3922       163.8427          -6017.5037     -3087.0005    921491.4634     -6017.5037     -3087.0005

ENERGY:     142     21702.7399     18860.4297      5732.9228       192.6003        -332879.0280     21093.2714         0.0000         0.0000     42868.0674        -222428.9965       155.9422   -265297.0639   -222213.3922       155.9422          -5532.0375     -3029.5546    921491.4634     -5532.0375     -3029.5546

ENERGY:     143     22457.6180     19468.7635      5743.5741       193.1827        -331957.5932     21040.0377         0.0000         0.0000     40797.9947        -222256.4226       148.4119   -263054.4173   -222209.6226       148.4119          -4179.8277     -2928.5087    921491.4634     -4179.8277     -2928.5087

ENERGY:     144     21007.3341     19787.0057      5755.2166       193.9151        -331097.8396     20965.2215         0.0000         0.0000     41087.3101        -222301.8366       149.4643   -263389.1467   -222194.0942       149.4643          -2265.2409     -2825.3503    921491.4634     -2265.2409     -2825.3503

ENERGY:     145     18390.7601     19760.7601      5765.7577       194.6436        -330692.1922     20892.9233         0.0000         0.0000     43191.0817        -222496.2657       157.1173   -265687.3474   -222180.9593       157.1173           -495.5030     -2742.5238    921491.4634      -495.5030     -2742.5238

ENERGY:     146     17494.3906     19517.0963      5773.0763       195.1974        -330883.4475     20850.7304         0.0000         0.0000     44468.0626        -222584.8938       161.7626   -267052.9564   -222180.0854       161.7626            380.5831     -2698.3695    921491.4634       380.5831     -2698.3695

ENERGY:     147     19349.0815     19284.4051      5776.1299       195.3841        -331633.2791     20843.7952         0.0000         0.0000     43729.9297        -222454.5535       159.0775   -266184.4832   -222180.7857       159.0775             12.4495     -2697.6200    921491.4634        12.4495     -2697.6200

ENERGY:     148     21731.1608     19240.1451      5775.1361       195.0156        -332748.3461     20852.0477         0.0000         0.0000     42647.1433        -222307.6974       155.1386   -264954.8407   -222173.9045       155.1386          -1313.5162     -2742.2255    921491.4634     -1313.5162     -2742.2255

ENERGY:     149     22154.0981     19476.6232      5771.6403       193.9272        -333952.9656     20853.5363         0.0000         0.0000     43165.2618        -222337.8787       157.0234   -265503.1406   -222149.8015       157.0234          -2998.4811     -2814.2281    921491.4634     -2998.4811     -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     21015.8992     19956.3835      5767.3089       192.0924        -334899.3755     20845.5771         0.0000         0.0000     44606.5896        -222515.5248       162.2665   -267122.1145   -222153.2670       162.2665          -4472.9373     -2881.9211    921491.4634     -4472.9373     -2881.9211

ENERGY:     151     20656.1099     20586.9276      5763.7530       189.5631        -335303.4339     20835.7247         0.0000         0.0000     44710.6378        -222560.7179       162.6450   -267271.3557   -222155.1383       162.6450          -5407.8405     -2907.6331    921491.4634     -5407.8405     -2907.6331

ENERGY:     152     21757.0222     21203.4203      5761.8055       186.4838        -335072.1088     20820.7501         0.0000         0.0000     42914.6704        -222427.9566       156.1118   -265342.6270   -222175.0517       156.1118          -5552.0272     -2878.0876    921491.4634     -5552.0272     -2878.0876

ENERGY:     153     22396.4537     21618.6022      5761.5688       183.0547        -334307.6861     20787.1624         0.0000         0.0000     41296.2809        -222264.5633       150.2245   -263560.8443   -222152.0206       150.2245          -4765.4777     -2800.4122    921491.4634     -4765.4777     -2800.4122

ENERGY:     154     20952.1344     21640.3346      5761.9239       179.5647        -333344.9136     20735.3659         0.0000         0.0000     41746.1290        -222329.4610       151.8609   -264075.5900   -222148.7917       151.8609          -3178.1876     -2707.3606    921491.4634     -3178.1876     -2707.3606

ENERGY:     155     18734.5492     21249.5940      5761.4993       176.3183        -332564.0957     20691.4723         0.0000         0.0000     43448.4573        -222502.2053       158.0535   -265950.6626   -222145.9856       158.0535          -1408.3065     -2623.9032    921491.4634     -1408.3065     -2623.9032

ENERGY:     156     18312.4484     20599.9073      5758.8570       173.6449        -332218.9145     20684.3829         0.0000         0.0000     44137.5522        -222552.1218       160.5603   -266689.6740   -222166.8047       160.5603           -219.5096     -2571.5313    921491.4634      -219.5096     -2571.5313

ENERGY:     157     20043.0837     19943.2665      5753.0946       171.8900        -332363.0657     20715.7865         0.0000         0.0000     43325.6934        -222410.2510       157.6070   -265735.9443   -222155.5008       157.6070            -38.8544     -2554.7665    921491.4634       -38.8544     -2554.7665

ENERGY:     158     21695.0846     19425.3238      5743.5667       171.3409        -332829.8099     20761.5805         0.0000         0.0000     42713.6819        -222319.2315       155.3806   -265032.9134   -222157.3220       155.3806           -715.5936     -2586.7969    921491.4634      -715.5936     -2586.7969

ENERGY:     159     21695.6536     19084.6409      5730.9315       172.1899        -333376.4003     20800.7929         0.0000         0.0000     43483.6003        -222408.5912       158.1814   -265892.1915   -222160.0969       158.1814          -1882.1012     -2660.7875    921491.4634     -1882.1012     -2660.7875

TIMING: 160  CPU: 76.4838, 0.470039/step  Wall: 76.4838, 0.470039/step, 0.0443926 hours remaining, 3222.140625 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     21093.2842     18859.3045      5717.0749       174.4915        -333735.9154     20833.5471         0.0000         0.0000     44515.8596        -222542.3535       161.9365   -267058.2131   -222175.6788       161.9365          -3202.8705     -2752.7604    921491.4634     -3202.8705     -2752.7604

ENERGY:     161     21561.6001     18685.5959      5704.9782       178.2042        -333710.7597     20865.7132         0.0000         0.0000     44220.7113        -222493.9569       160.8628   -266714.6682   -222160.9740       160.8628          -4385.1102     -2823.4852    921491.4634     -4385.1102     -2823.4852

ENERGY:     162     22512.8124     18508.1492      5697.2826       183.0024        -333202.6496     20887.8857         0.0000         0.0000     43070.6067        -222342.9106       156.6790   -265413.5173   -222161.4909       156.6790          -5004.1554     -2859.8871    921491.4634     -5004.1554     -2859.8871

ENERGY:     163     21937.9852     18346.8656      5696.1509       188.4544        -332368.8224     20884.6196         0.0000         0.0000     43005.6961        -222309.0507       156.4429   -265314.7468   -222160.7803       156.4429          -4776.8220     -2868.7270    921491.4634     -4776.8220     -2868.7270

ENERGY:     164     19652.8066     18261.0399      5702.5306       194.0206        -331567.4469     20861.9109         0.0000         0.0000     44426.5344        -222468.6039       161.6115   -266895.1383   -222170.9034       161.6115          -3836.1733     -2870.4449    921491.4634     -3836.1733     -2870.4449

ENERGY:     165     18074.0952     18343.8149      5716.1638       199.2019        -331183.0466     20849.6743         0.0000         0.0000     45425.8564        -222574.2401       165.2468   -268000.0965   -222153.1699       165.2468          -2737.5186     -2867.1447    921491.4634     -2737.5186     -2867.1447

ENERGY:     166     18979.7069     18650.1653      5734.9735       203.3281        -331407.1002     20870.8940         0.0000         0.0000     44483.6889        -222484.3436       161.8194   -266968.0324   -222151.2327       161.8194          -1964.3636     -2870.3839    921491.4634     -1964.3636     -2870.3839

ENERGY:     167     21026.8307     19216.2867      5755.9248       205.8794        -332212.1861     20917.6389         0.0000         0.0000     42775.8061        -222313.8196       155.6066   -265089.6257   -222150.5298       155.6066          -1671.2499     -2889.5868    921491.4634     -1671.2499     -2889.5868

ENERGY:     168     21619.4181     19999.6889      5775.3367       206.4584        -333382.4927     20963.4338         0.0000         0.0000     42492.3349        -222325.8218       154.5754   -264818.1567   -222149.7709       154.5754          -1735.9905     -2933.5977    921491.4634     -1735.9905     -2933.5977

ENERGY:     169     20648.4665     20870.4069      5789.9166       204.9287        -334596.5071     20994.5723         0.0000         0.0000     43600.1909        -222488.0253       158.6055   -266088.2162   -222133.5317       158.6055          -2095.8776     -2988.7948    921491.4634     -2095.8776     -2988.7948

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

ENERGY:     170     20485.0013     21574.3801      5797.0542       201.1981        -335480.2502     21017.8094         0.0000         0.0000     43834.2688        -222570.5384       159.4570   -266404.8072   -222135.2422       159.4570          -2696.1967     -3030.4961    921491.4634     -2696.1967     -3030.4961

ENERGY:     171     22225.3640     21884.1726      5796.1347       195.5169        -335757.0016     21036.7488         0.0000         0.0000     42205.8539        -222413.2106       153.5333   -264619.0645   -222135.5894       153.5333          -3373.1626     -3035.3578    921491.4634     -3373.1626     -3035.3578

ENERGY:     172     23612.5241     21689.2904      5788.4217       188.3823        -335345.7507     21036.2039         0.0000         0.0000     40787.7256        -222243.2027       148.3745   -263030.9283   -222132.3043       148.3745          -3754.4379     -3004.4813    921491.4634     -3754.4379     -3004.4813

ENERGY:     173     22089.5492     21081.4671      5776.7002       180.5475        -334414.6777     21003.0505         0.0000         0.0000     41986.3985        -222296.9647       152.7350   -264283.3632   -222121.1462       152.7350          -3608.5986     -2944.3814    921491.4634     -3608.5986     -2944.3814

ENERGY:     174     18699.8473     20250.6916      5763.7521       172.7179        -333314.9342     20954.5022         0.0000         0.0000     44924.4952        -222548.9279       163.4230   -267473.4231   -222120.6680       163.4230          -3086.0087     -2871.4631    921491.4634     -3086.0087     -2871.4631

ENERGY:     175     17219.9375     19455.5735      5752.1494       165.6559        -332464.6996     20928.3118         0.0000         0.0000     46291.0144        -222652.0570       168.3940   -268943.0715   -222120.1887       168.3940          -2676.4055     -2794.4451    921491.4634     -2676.4055     -2794.4451

ENERGY:     176     19195.1038     18891.7629      5743.5896       160.0071        -332124.2129     20943.2095         0.0000         0.0000     44722.5120        -222468.0279       162.6882   -267190.5399   -222127.3370       162.6882          -2658.3220     -2727.5043    921491.4634     -2658.3220     -2727.5043

ENERGY:     177     21863.3195     18664.1735      5738.9484       156.2659        -332371.2412     20981.6518         0.0000         0.0000     42714.2624        -222252.6196       155.3827   -264966.8820   -222125.5137       155.3827          -2870.6845     -2681.8089    921491.4634     -2870.6845     -2681.8089

ENERGY:     178     21917.7900     18733.9559      5737.6245       154.5770        -332975.2975     21015.2133         0.0000         0.0000     43101.1544        -222314.9825       156.7902   -265416.1369   -222126.1322       156.7902          -2936.2255     -2665.7682    921491.4634     -2936.2255     -2665.7682

ENERGY:     179     20058.5719     19018.0839      5738.2698       154.9022        -333648.1817     21038.3004         0.0000         0.0000     45070.9163        -222569.1373       163.9556   -267640.0536   -222127.1794       163.9556          -2805.2706     -2668.3443    921491.4634     -2805.2706     -2668.3443

TIMING: 180  CPU: 85.8729, 0.469452/step  Wall: 85.8729, 0.469452/step, 0.0417291 hours remaining, 3222.281250 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     19770.2942     19384.7963      5738.8341       156.9935        -334084.3523     21065.2916         0.0000         0.0000     45324.2213        -222643.9212       164.8771   -267968.1425   -222142.6345       164.8771          -2684.8628     -2671.3560    921491.4634     -2684.8628     -2671.3560

ENERGY:     181     22122.8094     19693.8082      5737.3498       160.4696        -334134.1967     21097.1423         0.0000         0.0000     42906.0429        -222416.5746       156.0804   -265322.6175   -222134.4682       156.0804          -2655.0378     -2656.7563    921491.4634     -2655.0378     -2656.7563

ENERGY:     182     23922.3457     19800.0771      5732.0748       164.8150        -333691.2983     21109.5294         0.0000         0.0000     40770.0179        -222192.4385       148.3101   -262962.4563   -222132.7635       148.3101          -2461.5987     -2635.7203    921491.4634     -2461.5987     -2635.7203

ENERGY:     183     22149.3488     19677.1533      5722.7616       169.5349        -332921.8737     21084.4911         0.0000         0.0000     41834.8233        -222283.7608       152.1836   -264118.5841   -222131.2591       152.1836          -1990.8047     -2626.5157    921491.4634     -1990.8047     -2626.5157

ENERGY:     184     18376.8757     19424.9914      5710.5468       174.1844        -332181.9082     21042.4479         0.0000         0.0000     44880.5527        -222572.3092       163.2631   -267452.8619   -222144.6143       163.2631          -1576.6177     -2645.2274    921491.4634     -1576.6177     -2645.2274

ENERGY:     185     16957.7745     19234.6872      5697.7241       178.4155        -331895.6963     21023.9443         0.0000         0.0000     46149.4987        -222653.6519       167.8792   -268803.1507   -222128.1657       167.8792          -1752.9884     -2679.2077    921491.4634     -1752.9884     -2679.2077

ENERGY:     186     19266.0406     19234.9570      5686.4352       181.9571        -332240.0938     21043.7459         0.0000         0.0000     44391.5887        -222435.3692       161.4844   -266826.9579   -222129.2889       161.4844          -2596.4733     -2731.4263    921491.4634     -2596.4733     -2731.4263

ENERGY:     187     22073.2967     19471.4303      5678.7398       184.6336        -333156.1127     21076.9265         0.0000         0.0000     42449.0055        -222222.0802       154.4178   -264671.0857   -222130.9081       154.4178          -3641.8536     -2802.0867    921491.4634     -3641.8536     -2802.0867

ENERGY:     188     22101.1830     19886.6774      5676.0119       186.3502        -334382.7610     21093.9045         0.0000         0.0000     43113.1614        -222325.4726       156.8338   -265438.6341   -222135.3908       156.8338          -4316.2654     -2887.0591    921491.4634     -4316.2654     -2887.0591

ENERGY:     189     20394.2462     20391.8602      5678.8863       187.1154        -335558.5039     21096.5840         0.0000         0.0000     45245.6386        -222564.1731       164.5912   -267809.8118   -222116.4324       164.5912          -4451.6369     -2950.0786    921491.4634     -4451.6369     -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     20342.0726     20848.4449      5686.3597       187.0164        -336318.7431     21106.5488         0.0000         0.0000     45533.2633        -222615.0375       165.6375   -268148.3008   -222116.1591       165.6375          -4141.9210     -2962.8210    921491.4634     -4141.9210     -2962.8210

ENERGY:     191     22534.8505     21157.2826      5696.5257       186.2614        -336419.5250     21124.8644         0.0000         0.0000     43330.7336        -222389.0067       157.6253   -265719.7403   -222114.1141       157.6253          -3471.5977     -2915.5481    921491.4634     -3471.5977     -2915.5481

ENERGY:     192     23768.4831     21244.3747      5706.8010       185.1520        -335814.4794     21125.1404         0.0000         0.0000     41560.2537        -222224.2744       151.1848   -263784.5282   -222108.6421       151.1848          -2412.4656     -2830.7903    921491.4634     -2412.4656     -2830.7903

ENERGY:     193     21710.8596     21097.1073      5714.9848       184.0569        -334711.3262     21092.9043         0.0000         0.0000     42578.8349        -222332.5785       154.8901   -264911.4134   -222093.8906       154.8901          -1181.4696     -2735.1547    921491.4634     -1181.4696     -2735.1547

ENERGY:     194     18383.3650     20711.5282      5719.3482       183.2863        -333492.4636     21054.1040         0.0000         0.0000     44867.8136        -222573.0182       163.2168   -267440.8318   -222092.1691       163.2168           -314.8317     -2651.4483    921491.4634      -314.8317     -2651.4483

ENERGY:     195     17581.7012     20169.9816      5719.7968       183.0839        -332603.8312     21048.2209         0.0000         0.0000     45307.7484        -222593.2983       164.8171   -267901.0467   -222091.6064       164.8171           -398.0879     -2592.7757    921491.4634      -398.0879     -2592.7757

ENERGY:     196     19755.8662     19594.9320      5717.4229       183.5644        -332319.6952     21082.8579         0.0000         0.0000     43603.6155        -222381.4363       158.6180   -265985.0517   -222096.3129       158.6180          -1480.5940     -2574.8092    921491.4634     -1480.5940     -2574.8092

ENERGY:     197     21700.3670     19122.7580      5714.1451       184.7200        -332668.2732     21129.4588         0.0000         0.0000     42574.3654        -222242.4589       154.8738   -264816.8243   -222086.7182       154.8738          -3040.7436     -2596.5495    921491.4634     -3040.7436     -2596.5495

ENERGY:     198     21224.0060     18800.3006      5711.3574       186.3640        -333385.4998     21161.1533         0.0000         0.0000     43911.2863        -222391.0322       159.7372   -266302.3185   -222090.4394       159.7372          -4381.6808     -2646.7680    921491.4634     -4381.6808     -2646.7680

ENERGY:     199     20113.4047     18634.4040      5710.3429       188.2374        -334151.8587     21182.1777         0.0000         0.0000     45722.9587        -222600.3332       166.3276   -268323.2919   -222093.2753       166.3276          -5152.2284     -2691.5412    921491.4634     -5152.2284     -2691.5412

LDB: ============= START OF LOAD BALANCING ============== 101.163
LDB: Largest compute 200 load 0.425682 is 1.2% of average load 36.556048
LDB: Average compute 0.051202 is 0.1% of average load 36.556048
LDB: TIME 101.165 LOAD: AVG 36.556 MAX 37.5914  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.6 MB
LDB: TIME 101.167 LOAD: AVG 36.556 MAX 37.4663  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.6 MB
LDB: ============== END OF LOAD BALANCING =============== 101.169
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.172
Info: Initial time: 4 CPUs 0.470059 s/step 5.4405 days/ns 3223.57 MB memory
TIMING: 200  CPU: 95.2686, 0.469785/step  Wall: 95.2686, 0.469785/step, 0.0391487 hours remaining, 3223.566406 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     18595.6349      5711.8747       190.0258        -334670.2812     21209.9247         0.0000         0.0000     45319.1600        -222569.9775       164.8586   -267889.1374   -222114.5248       164.8586          -5241.8525     -2703.6813    921491.4634     -5241.8525     -2703.6813

ENERGY:     201     23380.1030     18674.3332      5716.2802       191.4189        -334751.7133     21239.1340         0.0000         0.0000     43222.4694        -222327.9745       157.2315   -265550.4440   -222100.1082       157.2315          -4546.2005     -2661.1901    921491.4634     -4546.2005     -2661.1901

ENERGY:     202     23622.8117     18850.8449      5722.5980       192.1474        -334305.3009     21243.2752         0.0000         0.0000     42432.5587        -222241.0650       154.3580   -264673.6238   -222096.8294       154.3580          -3005.0519     -2588.0014    921491.4634     -3005.0519     -2588.0014

ENERGY:     203     20743.8946     19130.0389      5729.2400       192.0764        -333501.9375     21215.8254         0.0000         0.0000     44059.6986        -222431.1637       160.2771   -266490.8623   -222093.6430       160.2771          -1046.8259     -2512.4435    921491.4634     -1046.8259     -2512.4435

ENERGY:     204     17862.6126     19486.9556      5734.1463       191.2124        -332722.2202     21188.8402         0.0000         0.0000     45629.4718        -222628.9813       165.9875   -268258.4531   -222116.7005       165.9875            452.9931     -2462.2930    921491.4634       452.9931     -2462.2930

ENERGY:     205     18189.0792     19868.9414      5735.7153       189.6741        -332398.2553     21197.9185         0.0000         0.0000     44690.7147        -222526.2120       162.5725   -267216.9268   -222099.8064       162.5725            731.8534     -2447.6354    921491.4634       731.8534     -2447.6354

ENERGY:     206     20668.8902     20170.9986      5732.9811       187.6404        -332716.3436     21241.8391         0.0000         0.0000     42439.0583        -222274.9360       154.3816   -264713.9943   -222100.3401       154.3816           -230.6569     -2488.2938    921491.4634      -230.6569     -2488.2938

ENERGY:     207     21693.8031     20338.2891      5726.5434       185.3060        -333603.9792     21289.9001         0.0000         0.0000     42143.6913        -222226.4462       153.3072   -264370.1375   -222103.0936       153.3072          -1896.3478     -2585.9683    921491.4634     -1896.3478     -2585.9683

ENERGY:     208     20293.2702     20371.8904      5718.1572       182.8654        -334789.2379     21322.2409         0.0000         0.0000     44428.6269        -222472.1869       161.6191   -266900.8139   -222122.6318       161.6191          -3669.0641     -2719.7952    921491.4634     -3669.0641     -2719.7952

ENERGY:     209     19428.8170     20325.0059      5710.3389       180.5135        -335910.2415     21349.5043         0.0000         0.0000     46273.6800        -222642.3819       168.3309   -268916.0619   -222106.7904       168.3309          -5197.7273     -2836.6306    921491.4634     -5197.7273     -2836.6306

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

ENERGY:     210     21385.1734     20194.2569      5705.3139       178.4614        -336615.7771     21385.1095         0.0000         0.0000     45251.4334        -222516.0286       164.6123   -267767.4620   -222108.2020       164.6123          -6091.3662     -2896.2627    921491.4634     -6091.3662     -2896.2627

ENERGY:     211     24099.1928     19985.8632      5704.9373       176.9105        -336667.8931     21415.1476         0.0000         0.0000     43031.7285        -222254.1132       156.5376   -265285.8418   -222106.8545       156.5376          -5900.2978     -2885.1010    921491.4634     -5900.2978     -2885.1010

ENERGY:     212     23739.2710     19730.8222      5710.0295       176.0352        -336013.6230     21412.5982         0.0000         0.0000     42995.1639        -222249.7030       156.4046   -265244.8668   -222104.2322       156.4046          -4424.1004     -2820.3211    921491.4634     -4424.1004     -2820.3211

ENERGY:     213     20150.2161     19524.5249      5720.1722       175.9508        -334874.6447     21380.5551         0.0000         0.0000     45418.7805        -222504.4451       165.2210   -267923.2256   -222097.3838       165.2210          -2174.3119     -2725.0842    921491.4634     -2174.3119     -2725.0842

ENERGY:     214     17315.5531     19421.7449      5733.3059       176.6827        -333645.3940     21358.4485         0.0000         0.0000     46958.4701        -222681.1888       170.8220   -269639.6589   -222093.7411       170.8220           -143.6688     -2626.0579    921491.4634      -143.6688     -2626.0579

ENERGY:     215     18210.5057     19441.9744      5746.5772       178.1492        -332787.3325     21379.5596         0.0000         0.0000     45302.6744        -222527.8920       164.7987   -267830.5664   -222091.0451       164.7987            784.0013     -2554.0369    921491.4634       784.0013     -2554.0369

ENERGY:     216     20973.4717     19522.5062      5756.9571       180.1770        -332560.1061     21436.4835         0.0000         0.0000     42442.1786        -222248.3319       154.3930   -264690.5105   -222073.6157       154.3930            420.9901     -2541.5428    921491.4634       420.9901     -2541.5428

ENERGY:     217     21778.3866     19581.4820      5762.2416       182.5517        -333010.6756     21497.2705         0.0000         0.0000     41983.6749        -222225.0683       152.7251   -264208.7432   -222064.4465       152.7251           -882.1698     -2598.7243    921491.4634      -882.1698     -2598.7243

ENERGY:     218     20165.9156     19540.0891      5761.2415       184.9927        -333856.1145     21546.6560         0.0000         0.0000     44178.6834        -222478.5361       160.7099   -266657.2196   -222068.8156       160.7099          -2628.0651     -2703.9746    921491.4634     -2628.0651     -2703.9746

ENERGY:     219     19429.8639     19413.3931      5754.3577       187.2447        -334778.0706     21596.8808         0.0000         0.0000     45751.9296        -222644.4008       166.4329   -268396.3304   -222073.1720       166.4329          -4457.7330     -2810.5237    921491.4634     -4457.7330     -2810.5237

TIMING: 220  CPU: 104.673, 0.470216/step  Wall: 104.673, 0.470216/step, 0.0365724 hours remaining, 3223.566406 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     21580.9144     19260.1135      5743.1672       189.1021        -335473.8432     21655.3184         0.0000         0.0000     44539.5738        -222505.6539       162.0227   -267045.2277   -222092.6293       162.0227          -5898.3510     -2876.6577    921491.4634     -5898.3510     -2876.6577

ENERGY:     221     24234.7391     19146.8277      5730.1601       190.4777        -335718.7276     21699.4244         0.0000         0.0000     42467.0188        -222250.0797       154.4833   -264717.0986   -222077.7839       154.4833          -6342.7097     -2884.3552    921491.4634     -6342.7097     -2884.3552

ENERGY:     222     23735.1224     19085.7307      5717.7679       191.2893        -335388.9916     21700.3077         0.0000         0.0000     42702.0389        -222256.7348       155.3383   -264958.7737   -222075.6642       155.3383          -5368.7279     -2838.7017    921491.4634     -5368.7279     -2838.7017

ENERGY:     223     20286.4337     19110.8425      5708.3528       191.5579        -334633.3916     21665.5242         0.0000         0.0000     45168.7531        -222501.9274       164.3115   -267670.6805   -222072.2461       164.3115          -3322.8077     -2753.9475    921491.4634     -3322.8077     -2753.9475

ENERGY:     224     17721.9820     19276.3016      5703.4615       191.3517        -333831.1559     21637.4893         0.0000         0.0000     46650.8779        -222649.6918       169.7031   -269300.5697   -222098.2848       169.7031          -1151.0971     -2650.6854    921491.4634     -1151.0971     -2650.6854

ENERGY:     225     18451.5610     19639.7348      5703.5482       190.8347        -333424.4648     21647.4588         0.0000         0.0000     45301.5803        -222489.7470       164.7947   -267791.3273   -222079.9381       164.7947            226.2572     -2563.9720    921491.4634       226.2572     -2563.9720

ENERGY:     226     20569.7732     20147.6375      5707.2430       190.0457        -333606.5694     21686.9381         0.0000         0.0000     43034.1676        -222270.7644       156.5465   -265304.9320   -222078.6805       156.5465            530.9032     -2526.3323    921491.4634       530.9032     -2526.3323

ENERGY:     227     21011.1675     20670.4532      5712.3895       189.0770        -334317.7220     21728.2284         0.0000         0.0000     42721.7943        -222284.6120       155.4101   -265006.4064   -222080.2099       155.4101           -104.6489     -2553.6074    921491.4634      -104.6489     -2553.6074

ENERGY:     228     19866.2928     21035.8344      5716.6482       188.0081        -335312.4267     21761.2923         0.0000         0.0000     44242.5384        -222501.8126       160.9422   -266744.3509   -222102.7894       160.9422          -1440.0181     -2625.9673    921491.4634     -1440.0181     -2625.9673

ENERGY:     229     19874.0813     21137.5587      5718.5477       187.0043        -336264.4467     21796.8120         0.0000         0.0000     44976.5834        -222573.8593       163.6124   -267550.4427   -222086.0492       163.6124          -3234.4606     -2710.7215    921491.4634     -3234.4606     -2710.7215

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

ENERGY:     230     21999.2455     20926.2537      5717.1889       185.9786        -336838.6565     21834.6450         0.0000         0.0000     43751.0551        -222424.2896       159.1543   -266175.3447   -222088.6911       159.1543          -4902.3779     -2766.0557    921491.4634     -4902.3779     -2766.0557

ENERGY:     231     23806.6617     20470.3272      5713.0793       184.9073        -336794.0753     21849.7233         0.0000         0.0000     42506.4014        -222262.9749       154.6266   -264769.3764   -222089.4824       154.6266          -5730.6841     -2773.7615    921491.4634     -5730.6841     -2773.7615

ENERGY:     232     22812.6531     19886.6601      5707.7133       183.7520        -336072.1018     21820.0136         0.0000         0.0000     43315.5693        -222345.7404       157.5701   -265661.3097   -222098.2757       157.5701          -5301.5937     -2731.4986    921491.4634     -5301.5937     -2731.4986

ENERGY:     233     20035.6405     19318.2043      5703.4910       182.6157        -334889.2834     21760.7376         0.0000         0.0000     45350.0986        -222538.4956       164.9712   -267888.5942   -222089.6825       164.9712          -3899.2118     -2646.7387    921491.4634     -3899.2118     -2646.7387

ENERGY:     234     18553.6068     18856.0076      5702.3325       181.3395        -333642.4875     21712.9299         0.0000         0.0000     46049.0871        -222587.1842       167.5139   -268636.2713   -222086.3333       167.5139          -2187.7194     -2534.9737    921491.4634     -2187.7194     -2534.9737

ENERGY:     235     19419.0966     18603.4161      5705.8180       179.9133        -332789.1752     21702.6096         0.0000         0.0000     44750.4956        -222427.8260       162.7900   -267178.3216   -222083.1206       162.7900           -820.1737     -2429.4349    921491.4634      -820.1737     -2429.4349

ENERGY:     236     20566.0777     18629.1000      5714.2865       178.3391        -332585.8849     21721.5012         0.0000         0.0000     43477.4013        -222299.1791       158.1588   -265776.5804   -222073.0123       158.1588           -108.6483     -2371.7044    921491.4634      -108.6483     -2371.7044

ENERGY:     237     20196.0057     18940.2030      5726.8243       176.7459        -333068.3186     21749.0156         0.0000         0.0000     43898.3779        -222381.1463       159.6902   -266279.5242   -222063.3609       159.6902           -172.1588     -2373.2012    921491.4634      -172.1588     -2373.2012

ENERGY:     238     19419.4412     19404.0883      5740.6977       175.0128        -333964.3152     21778.9043         0.0000         0.0000     44901.2436        -222544.9273       163.3384   -267446.1709   -222065.9781       163.3384           -987.6013     -2425.5310    921491.4634      -987.6013     -2425.5310

ENERGY:     239     20428.8615     19846.5438      5752.8836       173.1946        -334966.8377     21816.7509         0.0000         0.0000     44416.4633        -222532.1401       161.5749   -266948.6033   -222068.9829       161.5749          -2385.1780     -2499.0797    921491.4634     -2385.1780     -2499.0797

TIMING: 240  CPU: 114.07, 0.469846/step  Wall: 114.07, 0.469846/step, 0.0339333 hours remaining, 3223.566406 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     22861.0419     20119.9133      5760.6910       171.4213        -335766.3624     21854.4253         0.0000         0.0000     42641.4775        -222357.3922       155.1180   -264998.8696   -222074.0955       155.1180          -3844.9083     -2568.3895    921491.4634     -3844.9083     -2568.3895

ENERGY:     241     23920.0052     20195.4872      5762.7124       169.9827        -336129.3251     21865.1031         0.0000         0.0000     41957.8934        -222258.1410       152.6313   -264216.0344   -222063.9161       152.6313          -4724.4491     -2616.3453    921491.4634     -4724.4491     -2616.3453

ENERGY:     242     22110.7716     20111.8208      5758.5348       169.0441        -335904.8195     21831.0567         0.0000         0.0000     43526.8717        -222396.7198       158.3388   -265923.5916   -222063.5739       158.3388          -4623.1689     -2633.0913    921491.4634     -4623.1689     -2633.0913

ENERGY:     243     19462.3622     19969.6445      5749.3614       168.8705        -335233.7068     21770.4748         0.0000         0.0000     45537.0687        -222575.9248       165.6513   -268112.9935   -222061.6677       165.6513          -3760.4506     -2614.6992    921491.4634     -3760.4506     -2614.6992

ENERGY:     244     18822.2466     19849.3934      5737.4544       169.6534        -334482.6010     21720.5676         0.0000         0.0000     45629.1659        -222554.1196       165.9864   -268183.2855   -222078.7773       165.9864          -2667.7299     -2573.2149    921491.4634     -2667.7299     -2573.2149

ENERGY:     245     20148.2370     19811.7599      5725.7785       171.4559        -334087.5946     21701.2470         0.0000         0.0000     44168.5246        -222360.5919       160.6730   -266529.1165   -222068.6368       160.6730          -1771.6902     -2533.5454    921491.4634     -1771.6902     -2533.5454

ENERGY:     246     20878.5481     19853.7024      5716.8932       174.1558        -334213.1205     21705.0850         0.0000         0.0000     43600.4180        -222284.3180       158.6063   -265884.7360   -222067.4297       158.6063          -1173.7930     -2523.3912    921491.4634     -1173.7930     -2523.3912

ENERGY:     247     19868.5286     19979.6439      5712.7400       177.5412        -334802.1841     21719.8454         0.0000         0.0000     44912.1911        -222431.6939       163.3782   -267343.8850   -222068.1396       163.3782           -982.9999     -2552.5930    921491.4634      -982.9999     -2552.5930

ENERGY:     248     19035.4924     20164.4296      5713.8450       181.3144        -335623.1352     21746.4310         0.0000         0.0000     46185.9361        -222595.6868       168.0117   -268781.6228   -222090.3130       168.0117          -1359.1245     -2608.3066    921491.4634     -1359.1245     -2608.3066

ENERGY:     249     20484.3304     20353.6193      5719.1623       185.0800        -336433.0066     21788.9033         0.0000         0.0000     45370.8151        -222531.0962       165.0466   -267901.9112   -222082.9714       165.0466          -2308.0285     -2671.2385    921491.4634     -2308.0285     -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     21832.9288         0.0000         0.0000     43252.1658        -222329.9460       157.3395   -265582.1118   -222084.2881       157.3395          -3365.2094     -2722.3880    921491.4634     -3365.2094     -2722.3880

ENERGY:     251     24002.1397     20302.5996      5731.6573       191.5295        -336816.8448     21849.8672         0.0000         0.0000     42475.2391        -222263.8124       154.5132   -264739.0515   -222084.8992       154.5132          -3958.0339     -2753.0724    921491.4634     -3958.0339     -2753.0724

ENERGY:     252     21994.9042     20013.1600      5733.2541       193.8023        -336093.2678     21826.9294         0.0000         0.0000     43905.3719        -222425.8459       159.7157   -266331.2177   -222091.3308       159.7157          -3843.4682     -2758.0339    921491.4634     -3843.4682     -2758.0339

ENERGY:     253     19499.8639     19667.1123      5729.5496       195.2411        -334977.1808     21784.0536         0.0000         0.0000     45520.0190        -222581.3414       165.5893   -268101.3604   -222082.7208       165.5893          -3300.1274     -2735.8132    921491.4634     -3300.1274     -2735.8132

ENERGY:     254     19073.0883     19348.2296      5720.5008       195.9622        -333839.8800     21752.6523         0.0000         0.0000     45220.9193        -222528.5274       164.5013   -267749.4467   -222080.4689       164.5013          -2707.1338     -2696.1701    921491.4634     -2707.1338     -2696.1701

ENERGY:     255     20324.2312     19109.4102      5707.6062       196.0620        -333099.9234     21746.1514         0.0000         0.0000     43667.4211        -222349.0413       158.8501   -266016.4624   -222078.3978       158.8501          -2282.5425     -2662.7814    921491.4634     -2282.5425     -2662.7814

ENERGY:     256     20899.4409     18950.9577      5693.4518       195.6570        -332975.5973     21757.6847         0.0000         0.0000     43181.1612        -222297.2440       157.0812   -265478.4052   -222071.2742       157.0812          -2042.2409     -2664.5199    921491.4634     -2042.2409     -2664.5199

ENERGY:     257     20029.5653     18878.1872      5681.1759       194.7976        -333481.0038     21780.2418         0.0000         0.0000     44488.5468        -222428.4893       161.8371   -266917.0361   -222060.1686       161.8371          -2035.5361     -2692.1442    921491.4634     -2035.5361     -2692.1442

ENERGY:     258     19453.5866     18882.0664      5673.2911       193.6684        -334373.1543     21817.5077         0.0000         0.0000     45796.2578        -222556.7764       166.5942   -268353.0341   -222062.0610       166.5942          -2331.2327     -2737.1920    921491.4634     -2331.2327     -2737.1920

ENERGY:     259     20717.7708     18984.1027      5671.3007       192.3773        -335369.5275     21871.0065         0.0000         0.0000     45431.1555        -222501.8141       165.2661   -267932.9695   -222063.7308       165.2661          -2890.3669     -2780.4961    921491.4634     -2890.3669     -2780.4961

TIMING: 260  CPU: 123.457, 0.469349/step  Wall: 123.457, 0.469349/step, 0.0312899 hours remaining, 3223.871094 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     19188.2460      5675.1875       191.0393        -336169.7728     21924.7892         0.0000         0.0000     44083.4306        -222362.1260       160.3634   -266445.5565   -222069.6816       160.3634          -3407.4792     -2810.9878    921491.4634     -3407.4792     -2810.9878

ENERGY:     261     23215.5572     19485.4654      5683.6413       189.7700        -336523.9800     21953.3901         0.0000         0.0000     43676.0234        -222320.1327       158.8814   -265996.1560   -222052.8240       158.8814          -3555.3695     -2822.8648    921491.4634     -3555.3695     -2822.8648

ENERGY:     262     21606.2725     19814.6776      5694.0656       188.7122        -336291.7860     21947.6073         0.0000         0.0000     44601.6345        -222438.8163       162.2485   -267040.4508   -222052.4326       162.2485          -3214.7562     -2810.4637    921491.4634     -3214.7562     -2810.4637

ENERGY:     263     19781.1230     20140.5621      5703.8103       187.9445        -335614.9715     21924.4739         0.0000         0.0000     45349.7769        -222527.2807       164.9700   -267877.0576   -222051.1551       164.9700          -2647.8117     -2773.3903    921491.4634     -2647.8117     -2773.3903

ENERGY:     264     19385.2262     20436.4304      5710.6950       187.5052        -334855.9511     21907.7771         0.0000         0.0000     44751.4782        -222476.8390       162.7936   -267228.3172   -222069.1985       162.7936          -2191.1928     -2723.5294    921491.4634     -2191.1928     -2723.5294

ENERGY:     265     19946.8416     20681.9925      5713.6241       187.4392        -334395.6632     21906.0162         0.0000         0.0000     43607.6373        -222352.1122       158.6326   -265959.7495   -222054.3373       158.6326          -2038.0573     -2683.6035    921491.4634     -2038.0573     -2683.6035

ENERGY:     266     20048.7898     20788.8699      5712.1327       187.6137        -334399.4576     21914.4804         0.0000         0.0000     43399.3796        -222348.1913       157.8750   -265747.5710   -222054.3636       157.8750          -2130.7241     -2664.5956    921491.4634     -2130.7241     -2664.5956

ENERGY:     267     19648.0905     20691.2677      5707.0583       187.8501        -334831.4854     21930.8373         0.0000         0.0000     44220.2167        -222446.1647       160.8610   -266666.3814   -222055.6586       160.8610          -2435.4234     -2662.6783    921491.4634     -2435.4234     -2662.6783

ENERGY:     268     19962.9160     20375.7515      5700.1930       187.9286        -335513.7448     21959.1256         0.0000         0.0000     44823.5375        -222504.2925       163.0557   -267327.8301   -222075.9876       163.0557          -2903.2124     -2658.6181    921491.4634     -2903.2124     -2658.6181

ENERGY:     269     21396.7812     19927.1702      5694.0390       187.7639        -336221.0660     21997.2160         0.0000         0.0000     44586.5097        -222431.5859       162.1935   -267018.0957   -222066.1974       162.1935          -3401.4128     -2647.2950    921491.4634     -3401.4128     -2647.2950

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     19450.9168      5690.3173       187.1618        -336650.6774     22028.8070         0.0000         0.0000     44308.0074        -222365.2739       161.1804   -266673.2813   -222067.0435       161.1804          -3583.3634     -2617.7583    921491.4634     -3583.3634     -2617.7583

ENERGY:     271     22345.5823     19078.8066      5690.0209       186.1610        -336571.7892     22035.2500         0.0000         0.0000     44829.4471        -222406.5213       163.0772   -267235.9684   -222066.8387       163.0772          -3261.2175     -2569.2622    921491.4634     -3261.2175     -2569.2622

ENERGY:     272     21021.5585     18896.0662      5692.8269       184.9335        -335921.4616     22015.0579         0.0000         0.0000     45607.7074        -222503.3112       165.9083   -268111.0186   -222081.1574       165.9083          -2551.9685     -2501.8805    921491.4634     -2551.9685     -2501.8805

ENERGY:     273     20123.2138     18932.9081      5697.5118       183.8526        -334925.7014     21985.5295         0.0000         0.0000     45502.7159        -222499.9697       165.5264   -268002.6856   -222069.0461       165.5264          -1837.1977     -2434.6760    921491.4634     -1837.1977     -2434.6760

ENERGY:     274     20074.7418     19121.4862      5701.6806       183.0070        -333931.6259     21965.2976         0.0000         0.0000     44478.5174        -222406.8954       161.8006   -266885.4128   -222066.8030       161.8006          -1366.5214     -2384.6635    921491.4634     -1366.5214     -2384.6635

ENERGY:     275     20005.4317     19374.0680      5703.3424       182.5376        -333318.5604     21960.8298         0.0000         0.0000     43741.9683        -222350.3826       159.1213   -266092.3509   -222065.7694       159.1213          -1269.7932     -2374.8869    921491.4634     -1269.7932     -2374.8869

ENERGY:     276     19401.8501     19594.7507      5701.2547       182.4904        -333292.1280     21971.0409         0.0000         0.0000     44028.5273        -222412.2141       160.1637   -266440.7414   -222072.9396       160.1637          -1580.1299     -2417.6041    921491.4634     -1580.1299     -2417.6041

ENERGY:     277     19149.2972     19724.7158      5695.5210       182.9396        -333864.3453     21997.2386         0.0000         0.0000     44632.8112        -222481.8219       162.3619   -267114.6331   -222061.0989       162.3619          -2311.7544     -2498.0545    921491.4634     -2311.7544     -2498.0545

ENERGY:     278     20199.4577     19713.7758      5686.9122       183.6585        -334821.1003     22041.3358         0.0000         0.0000     44532.2540        -222463.7062       161.9961   -266995.9602   -222063.4132       161.9961          -3254.8156     -2593.7697    921491.4634     -3254.8156     -2593.7697

ENERGY:     279     21984.3649     19593.9430      5677.5176       184.5187        -335888.5801     22096.4198         0.0000         0.0000     43975.0880        -222376.7280       159.9693   -266351.8161   -222065.2024       159.9693          -4044.3212     -2682.8390    921491.4634     -4044.3212     -2682.8390

TIMING: 280  CPU: 132.828, 0.468568/step  Wall: 132.828, 0.468568/step, 0.0286347 hours remaining, 3223.871094 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     19458.4366      5670.0026       185.3899        -336752.6634     22145.1353         0.0000         0.0000     44066.7339        -222367.6421       160.3027   -266434.3760   -222073.4249       160.3027          -4286.3894     -2748.0547    921491.4634     -4286.3894     -2748.0547

ENERGY:     281     22172.5959     19445.1183      5667.0588       186.2206        -337154.6806     22172.1191         0.0000         0.0000     45063.2423        -222448.3255       163.9277   -267511.5679   -222064.8521       163.9277          -3881.2953     -2782.5903    921491.4634     -3881.2953     -2782.5903

ENERGY:     282     20943.7900     19615.5379      5669.9796       186.8360        -336942.5038     22176.7654         0.0000         0.0000     45823.3370        -222526.2580       166.6927   -268349.5950   -222063.3318       166.6927          -2992.3273     -2779.3669    921491.4634     -2992.3273     -2779.3669

ENERGY:     283     20432.1063     19966.6614      5678.8137       187.1634        -336251.9205     22171.0648         0.0000         0.0000     45328.8521        -222487.2589       164.8939   -267816.1110   -222060.8462       164.8939          -2008.7738     -2748.2307    921491.4634     -2008.7738     -2748.2307

ENERGY:     284     20506.4000     20401.8822      5692.0830       187.1346        -335412.6305     22166.2909         0.0000         0.0000     44071.4482        -222387.3918       160.3198   -266458.8399   -222061.5543       160.3198          -1267.2793     -2712.3902    921491.4634     -1267.2793     -2712.3902

ENERGY:     285     20203.3287     20789.9629      5707.3565       186.7145        -334827.1971     22167.0165         0.0000         0.0000     43418.2633        -222354.5548       157.9437   -265772.8181   -222053.5970       157.9437          -1010.8438     -2700.0821    921491.4634     -1010.8438     -2700.0821

ENERGY:     286     19396.6309     20966.5622      5721.5031       185.8230        -334658.1153     22176.6862         0.0000         0.0000     43785.6883        -222425.2216       159.2803   -266210.9099   -222054.0586       159.2803          -1306.7502     -2717.2847    921491.4634     -1306.7502     -2717.2847

ENERGY:     287     19176.1190     20856.7823      5731.9346       184.4714        -334918.1484     22200.2910         0.0000         0.0000     44282.9438        -222485.6062       161.0892   -266768.5501   -222055.7256       161.0892          -2148.9612     -2753.3344    921491.4634     -2148.9612     -2753.3344

ENERGY:     288     20263.2088     20475.2852      5736.9557       182.7335        -335468.3151     22237.9037         0.0000         0.0000     44116.9904        -222455.2378       160.4855   -266572.2283   -222066.9056       160.4855          -3310.5878     -2790.1554    921491.4634     -3310.5878     -2790.1554

ENERGY:     289     21886.4834     19928.6979      5736.1905       180.7560        -336126.9125     22279.0690         0.0000         0.0000     43733.4513        -222382.2645       159.0903   -266115.7158   -222062.2727       159.0903          -4368.9814     -2809.8750    921491.4634     -4368.9814     -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     19325.5267      5730.3279       178.6973        -336571.4578     22308.2174         0.0000         0.0000     44027.4235        -222385.2806       160.1597   -266412.7041   -222063.4687       160.1597          -4815.3286     -2796.0390    921491.4634     -4815.3286     -2796.0390

ENERGY:     291     22115.7703     18802.2910      5721.4122       176.7646        -336554.3562     22315.5630         0.0000         0.0000     44963.0865        -222459.4686       163.5634   -267422.5551   -222063.1778       163.5634          -4450.6674     -2738.1108    921491.4634     -4450.6674     -2738.1108

ENERGY:     292     21262.5912     18472.4016      5712.2431       175.1751        -335987.2705     22302.8784         0.0000         0.0000     45560.3453        -222501.6359       165.7360   -268061.9812   -222072.5166       165.7360          -3435.4158     -2639.3513    921491.4634     -3435.4158     -2639.3513

ENERGY:     293     20783.4663     18411.7342      5705.7252       174.1484        -335092.9711     22279.1182         0.0000         0.0000     45283.4160        -222455.3629       164.7286   -267738.7790   -222061.5459       164.7286          -2166.7338     -2517.2545    921491.4634     -2166.7338     -2517.2545

ENERGY:     294     20398.6129     18589.6435      5703.5791       173.8101        -334179.1791     22254.0799         0.0000         0.0000     44662.2339        -222397.2197       162.4689   -267059.4536   -222058.8855       162.4689          -1006.6043     -2405.5593    921491.4634     -1006.6043     -2405.5593

ENERGY:     295     19706.6742     18924.3581      5706.2255       174.2141        -333602.5020     22236.6568         0.0000         0.0000     44449.5914        -222404.7819       161.6954   -266854.3732   -222057.5865       161.6954           -311.5567     -2335.1539    921491.4634      -311.5567     -2335.1539

ENERGY:     296     19122.8991     19301.4531      5712.5929       175.3096        -333576.4728     22236.1189         0.0000         0.0000     44573.6030        -222454.4963       162.1465   -267028.0993   -222067.3942       162.1465           -347.2082     -2322.9740    921491.4634      -347.2082     -2322.9740

ENERGY:     297     19439.7490     19641.8016      5720.7182       176.9777        -334148.9756     22258.2525         0.0000         0.0000     44466.2677        -222445.2090       161.7561   -266911.4767   -222050.8191       161.7561          -1189.5386     -2359.0875    921491.4634     -1189.5386     -2359.0875

ENERGY:     298     20578.5046     19886.6664      5727.8935       178.9488        -335137.5242     22299.1411         0.0000         0.0000     44067.5343        -222398.8355       160.3056   -266466.3698   -222053.6279       160.3056          -2519.0812     -2427.9309    921491.4634     -2519.0812     -2427.9309

ENERGY:     299     21598.9655     20050.9660      5731.9441       180.9390        -336266.8208     22346.0658         0.0000         0.0000     43977.6322        -222380.3082       159.9785   -266357.9404   -222056.3732       159.9785          -3820.1263     -2506.2687    921491.4634     -3820.1263     -2506.2687

LDB: ============= START OF LOAD BALANCING ============== 148.112
LDB: Largest compute 200 load 0.521331 is 1.1% of average load 45.650864
LDB: Average compute 0.063953 is 0.1% of average load 45.650864
LDB: TIME 148.114 LOAD: AVG 45.6509 MAX 46.9405  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.27 MB
LDB: TIME 148.115 LOAD: AVG 45.6509 MAX 46.9405  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.27 MB
LDB: TIME 148.129 LOAD: AVG 45.6509 MAX 46.1735  PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.27 MB
LDB: ============== END OF LOAD BALANCING =============== 148.13
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.132
Info: Initial time: 4 CPUs 0.469094 s/step 5.42933 days/ns 3224.27 MB memory
TIMING: 300  CPU: 142.198, 0.468488/step  Wall: 142.198, 0.468488/step, 0.0260271 hours remaining, 3224.265625 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     21869.9882     20174.1889      5731.6695       182.6816        -337209.9035     22385.4780         0.0000         0.0000     44423.7998        -222442.0977       161.6016   -266865.8974   -222076.5873       161.6016          -4600.9408     -2563.6018    921491.4634     -4600.9408     -2563.6018

ENERGY:     301     21754.7699     20299.7851      5727.3853       184.0330        -337665.1006     22409.6627         0.0000         0.0000     44817.7467        -222471.7178       163.0346   -267289.4646   -222059.2472       163.0346          -4657.8464     -2584.2293    921491.4634     -4657.8464     -2584.2293

ENERGY:     302     21723.0649     20395.7906      5720.2599       184.8676        -337483.0157     22416.9293         0.0000         0.0000     44599.2670        -222442.8364       162.2399   -267042.1034   -222057.3403       162.2399          -3958.8649     -2554.2736    921491.4634     -3958.8649     -2554.2736

ENERGY:     303     21512.5329     20430.0799      5712.5286       185.2198        -336784.9555     22409.2049         0.0000         0.0000     44154.6911        -222380.6983       160.6226   -266535.3893   -222054.2092       160.6226          -2717.2719     -2487.9821    921491.4634     -2717.2719     -2487.9821

ENERGY:     304     20579.5056     20379.6042      5706.6112       185.2163        -335895.7348     22392.3088         0.0000         0.0000     44259.5534        -222392.9353       161.0041   -266652.4887   -222063.7240       161.0041          -1310.8210     -2411.5371    921491.4634     -1310.8210     -2411.5371

ENERGY:     305     19294.2488     20267.1924      5704.5649       185.0761        -335184.3679     22377.9876         0.0000         0.0000     44903.5553        -222451.7429       163.3468   -267355.2981   -222049.0632       163.3468           -285.4665     -2359.8439    921491.4634      -285.4665     -2359.8439

ENERGY:     306     18813.6233     20091.4460      5706.8792       184.8700        -334861.4716     22380.1170         0.0000         0.0000     45195.6069        -222488.9290       164.4092   -267684.5360   -222048.9456       164.4092            -34.4474     -2342.9901    921491.4634       -34.4474     -2342.9901

ENERGY:     307     19699.8291     19880.2870      5712.8835       184.6555        -334994.2781     22404.6079         0.0000         0.0000     44676.1361        -222435.8791       162.5195   -267112.0152   -222050.4566       162.5195           -686.7124     -2362.0196    921491.4634      -686.7124     -2362.0196

ENERGY:     308     21066.5788     19666.1168      5720.7564       184.4262        -335495.7180     22443.3091         0.0000         0.0000     44039.4392        -222375.0915       160.2034   -266414.5307   -222060.2285       160.2034          -1960.6040     -2406.6006    921491.4634     -1960.6040     -2406.6006

ENERGY:     309     21696.0233     19507.1879      5728.2464       184.2113        -336171.4699     22480.8021         0.0000         0.0000     44190.3408        -222384.6582       160.7523   -266574.9989   -222050.0299       160.7523          -3383.0054     -2467.8899    921491.4634     -3383.0054     -2467.8899

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

ENERGY:     310     21508.7274     19421.0238      5732.7586       183.9063        -336693.8613     22505.8457         0.0000         0.0000     44871.0066        -222470.5928       163.2284   -267341.5994   -222052.4942       163.2284          -4424.6314     -2515.2222    921491.4634     -4424.6314     -2515.2222

ENERGY:     311     21459.6724     19421.2607      5732.5580       183.4896        -336798.7869     22515.0560         0.0000         0.0000     44986.9607        -222499.7896       163.6502   -267486.7503   -222053.3072       163.6502          -4795.7695     -2523.0992    921491.4634     -4795.7695     -2523.0992

ENERGY:     312     21894.2740     19475.0866      5727.0398       182.9545        -336390.8679     22507.7149         0.0000         0.0000     44171.5548        -222432.2433       160.6840   -266603.7981   -222064.5095       160.6840          -4390.5735     -2479.7746    921491.4634     -4390.5735     -2479.7746

ENERGY:     313     21935.6985     19529.7469      5717.1323       182.3602        -335633.4777     22483.0130         0.0000         0.0000     43439.9889        -222345.5380       158.0227   -265785.5269   -222050.9856       158.0227          -3324.4415     -2406.1160    921491.4634     -3324.4415     -2406.1160

ENERGY:     314     20774.0372     19507.1855      5704.6248       181.6523        -334801.1007     22445.5164         0.0000         0.0000     43813.5137        -222374.5708       159.3815   -266188.0845   -222048.2694       159.3815          -1862.2383     -2326.9766    921491.4634     -1862.2383     -2326.9766

ENERGY:     315     19161.1203     19408.2594      5692.2116       180.8666        -334233.4704     22410.8357         0.0000         0.0000     44907.4429        -222472.7338       163.3609   -267380.1767   -222046.1400       163.3609           -549.3942     -2270.2360    921491.4634      -549.3942     -2270.2360

ENERGY:     316     18669.4293     19303.6207      5682.5271       180.0732        -334172.3646     22398.3989         0.0000         0.0000     45428.4347        -222509.8809       165.2562   -267938.3155   -222062.0713       165.2562             64.5861     -2251.8059    921491.4634        64.5861     -2251.8059

ENERGY:     317     19739.5967     19309.4452      5677.5265       179.4130        -334705.9339     22416.0668         0.0000         0.0000     44959.2152        -222424.6705       163.5493   -267383.8856   -222046.6272       163.5493           -296.1489     -2282.4174    921491.4634      -296.1489     -2282.4174

ENERGY:     318     21109.3874     19471.3043      5677.4840       178.9393        -335675.6977     22454.1808         0.0000         0.0000     44425.4198        -222358.9820       161.6075   -266784.4018   -222048.7808       161.6075          -1378.4200     -2356.1402    921491.4634     -1378.4200     -2356.1402

ENERGY:     319     21567.4383     19787.0343      5681.4413       178.7485        -336801.6070     22496.5473         0.0000         0.0000     44691.1808        -222399.2165       162.5742   -267090.3973   -222051.9253       162.5742          -2725.8797     -2457.2026    921491.4634     -2725.8797     -2457.2026

TIMING: 320  CPU: 151.406, 0.460392/step  Wall: 151.406, 0.460391/step, 0.0230196 hours remaining, 3224.265625 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     21393.3835     20196.2690      5687.3971       178.9168        -337738.1161     22532.5474         0.0000         0.0000     45250.4876        -222499.1147       164.6088   -267749.6023   -222076.2074       164.6088          -3895.6021     -2553.5002    921491.4634     -3895.6021     -2553.5002

ENERGY:     321     21615.1674     20628.0217      5693.0806       179.5146        -338181.7105     22557.3344         0.0000         0.0000     45018.7805        -222489.8113       163.7660   -267508.5918   -222064.2791       163.7660          -4609.2359     -2621.5363    921491.4634     -4609.2359     -2621.5363

ENERGY:     322     22179.0071     20957.0455      5696.1855       180.4970        -337965.9631     22565.0702         0.0000         0.0000     43989.5239        -222398.6340       160.0218   -266388.1579   -222063.6579       160.0218          -4596.8830     -2640.5013    921491.4634     -4596.8830     -2640.5013

ENERGY:     323     21976.7006     21085.8078      5695.4506       181.8003        -337194.0746     22550.8102         0.0000         0.0000     43361.4903        -222342.0149       157.7372   -265703.5052   -222061.4468       157.7372          -3808.3606     -2616.6944    921491.4634     -3808.3606     -2616.6944

ENERGY:     324     20558.5068     20952.0212      5690.8582       183.3007        -336170.3974     22520.5739         0.0000         0.0000     43857.2501        -222407.8865       159.5406   -266265.1366   -222068.7484       159.5406          -2506.6901     -2573.6931    921491.4634     -2506.6901     -2573.6931

ENERGY:     325     19096.1752     20584.7377      5683.7433       184.8441        -335297.0511     22494.0542         0.0000         0.0000     44763.3954        -222490.1012       162.8369   -267253.4966   -222060.9514       162.8369          -1264.0246     -2529.6546    921491.4634     -1264.0246     -2529.6546

ENERGY:     326     18959.6362     20052.8004      5675.9627       186.2078        -334820.0102     22490.4167         0.0000         0.0000     44971.8220        -222483.1644       163.5951   -267454.9864   -222059.6110       163.5951           -572.2143     -2503.0559    921491.4634      -572.2143     -2503.0559

ENERGY:     327     20020.7821     19506.2794      5669.7116       187.2139        -334851.2527     22513.0143         0.0000         0.0000     44550.7422        -222403.5091       162.0634   -266954.2513   -222059.8762       162.0634           -657.4992     -2506.5014    921491.4634      -657.4992     -2506.5014

ENERGY:     328     20934.1978     19092.0092      5666.7484       187.7399        -335303.4708     22549.7451         0.0000         0.0000     44493.2354        -222379.7952       161.8542   -266873.0305   -222061.7263       161.8542          -1393.2039     -2547.3519    921491.4634     -1393.2039     -2547.3519

ENERGY:     329     21066.6663     18910.0877      5668.0553       187.7546        -335996.4125     22586.9564         0.0000         0.0000     45124.3164        -222452.5759       164.1499   -267576.8923   -222059.3370       164.1499          -2499.2290     -2610.9953    921491.4634     -2499.2290     -2610.9953

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

ENERGY:     330     21142.6833     18933.5042      5673.1988       187.2569        -336566.3116     22617.7577         0.0000         0.0000     45495.0146        -222516.8961       165.4984   -268011.9107   -222062.1154       165.4984          -3602.9590     -2673.3214    921491.4634     -3602.9590     -2673.3214

ENERGY:     331     21864.6856     19091.0590      5680.9136       186.3262        -336735.1751     22637.2713         0.0000         0.0000     44806.2162        -222468.7033       162.9927   -267274.9195   -222063.3976       162.9927          -4373.7649     -2707.8812    921491.4634     -4373.7649     -2707.8812

ENERGY:     332     22513.8608     19292.8539      5689.3391       185.0893        -336383.5022     22636.4042         0.0000         0.0000     43697.6285        -222368.3265       158.9600   -266065.9550   -222061.8465       158.9600          -4514.5071     -2704.7031    921491.4634     -4514.5071     -2704.7031

ENERGY:     333     21854.9975     19482.7895      5696.6505       183.7309        -335681.4583     22608.9728         0.0000         0.0000     43501.2419        -222353.0752       158.2456   -265854.3171   -222052.0757       158.2456          -3943.3088     -2666.2162    921491.4634     -3943.3088     -2666.2162

ENERGY:     334     20023.4849     19603.2612      5701.0454       182.3864        -334880.5301     22564.8640         0.0000         0.0000     44357.3053        -222448.1829       161.3597   -266805.4882   -222049.6964       161.3597          -2855.3040     -2607.1877    921491.4634     -2855.3040     -2607.1877

ENERGY:     335     18726.9583     19647.0447      5701.6423       181.1975        -334325.9455     22528.7343         0.0000         0.0000     45026.6265        -222513.7419       163.7945   -267540.3683   -222047.5436       163.7945          -1753.1270     -2542.6965    921491.4634     -1753.1270     -2542.6965

ENERGY:     336     19127.9134     19639.0994      5698.6022       180.2744        -334271.7855     22519.6995         0.0000         0.0000     44649.6647        -222456.5319       162.4232   -267106.1966   -222055.6205       162.4232          -1093.5006     -2488.8702    921491.4634     -1093.5006     -2488.8702

ENERGY:     337     20420.1634     19649.7062      5693.3319       179.7347        -334824.3557     22536.4220         0.0000         0.0000     43995.5996        -222349.3980       160.0439   -266344.9975   -222040.1028       160.0439          -1064.7184     -2460.5860    921491.4634     -1064.7184     -2460.5860

ENERGY:     338     21007.5745     19722.4642      5687.5590       179.5437        -335808.8619     22564.1941         0.0000         0.0000     44285.9172        -222361.6092       161.1000   -266647.5264   -222041.5961       161.1000          -1500.9499     -2462.8576    921491.4634     -1500.9499     -2462.8576

ENERGY:     339     20742.6008     19892.4864      5683.2969       179.6501        -336924.5159     22593.0215         0.0000         0.0000     45359.3480        -222474.1123       165.0048   -267833.4603   -222043.8633       165.0048          -2199.9375     -2485.1216    921491.4634     -2199.9375     -2485.1216

TIMING: 340  CPU: 160.607, 0.460082/step  Wall: 160.607, 0.460082/step, 0.0204481 hours remaining, 3224.265625 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     20898.6067     20139.5371      5681.9995       179.9655        -337821.3680     22621.7133         0.0000         0.0000     45758.5730        -222540.9728       166.4571   -268299.5458   -222070.3956       166.4571          -2966.9708     -2503.9485    921491.4634     -2966.9708     -2503.9485

ENERGY:     341     22051.8628     20407.8961      5684.3134       180.4786        -338209.1664     22646.3195         0.0000         0.0000     44797.5820        -222440.7140       162.9613   -267238.2960   -222054.5351       162.9613          -3585.3814     -2498.5443    921491.4634     -3585.3814     -2498.5443

ENERGY:     342     22895.9216     20582.1010      5689.2420       181.0293        -337942.4473     22653.2568         0.0000         0.0000     43612.4989        -222328.3978       158.6503   -265940.8967   -222054.3605       158.6503          -3711.7547     -2460.9855    921491.4634     -3711.7547     -2460.9855

ENERGY:     343     21993.5596     20596.8905      5695.1198       181.5548        -337132.3417     22633.1269         0.0000         0.0000     43686.5575        -222345.5326       158.9197   -266032.0900   -222053.2451       158.9197          -3217.8264     -2399.3476    921491.4634     -3217.8264     -2399.3476

ENERGY:     344     19898.5079     20447.2067      5699.9573       182.0106        -336095.2677     22596.5925         0.0000         0.0000     44790.9364        -222480.0564       162.9371   -267270.9927   -222071.3582       162.9371          -2338.1162     -2329.7494    921491.4634     -2338.1162     -2329.7494

ENERGY:     345     18694.7358     20199.0882      5702.3270       182.4513        -335224.1274     22568.7533         0.0000         0.0000     45351.4658        -222525.3060       164.9762   -267876.7718   -222058.0559       164.9762          -1576.2392     -2261.7962    921491.4634     -1576.2392     -2261.7962

ENERGY:     346     19350.9890     19892.9543      5701.0894       182.7368        -334783.0720     22565.1333         0.0000         0.0000     44652.5015        -222437.6677       162.4335   -267090.1692   -222056.8260       162.4335          -1239.3023     -2211.7783    921491.4634     -1239.3023     -2211.7783

ENERGY:     347     20669.8295     19583.9410      5696.3950       182.8447        -334881.4383     22581.1978         0.0000         0.0000     43831.1324        -222336.0980       159.4456   -266167.2304   -222056.9478       159.4456          -1358.8147     -2194.9213    921491.4634     -1358.8147     -2194.9213

ENERGY:     348     21062.2470     19315.9903      5689.3479       182.7918        -335425.6666     22604.2196         0.0000         0.0000     44195.9874        -222375.0826       160.7729   -266571.0700   -222064.0954       160.7729          -1766.2767     -2218.9159    921491.4634     -1766.2767     -2218.9159

ENERGY:     349     20718.9513     19143.3230      5681.9008       182.6959        -336197.3781     22630.4370         0.0000         0.0000     45349.6294        -222490.4407       164.9695   -267840.0701   -222056.3116       164.9695          -2336.6408     -2270.6251    921491.4634     -2336.6408     -2270.6251

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

ENERGY:     350     21009.3451     19066.8674      5675.7227       182.5405        -336836.8355     22661.9750         0.0000         0.0000     45710.0735        -222530.3113       166.2807   -268240.3847   -222058.0883       166.2807          -2896.5511     -2326.8869    921491.4634     -2896.5511     -2326.8869

ENERGY:     351     22235.3182     19085.8712      5672.3994       182.3762        -337072.3447     22693.2953         0.0000         0.0000     44770.4134        -222432.6711       162.8625   -267203.0845   -222058.6362       162.8625          -3254.0189     -2369.0509    921491.4634     -3254.0189     -2369.0509

ENERGY:     352     22912.9251     19180.1280      5672.7329       182.2243        -336794.7853     22708.6915         0.0000         0.0000     43795.3990        -222342.6845       159.3156   -266138.0835   -222059.3901       159.3156          -3190.0138     -2394.0291    921491.4634     -3190.0138     -2394.0291

ENERGY:     353     21825.9775     19344.0935      5676.6445       182.1014        -336147.6546     22699.4228         0.0000         0.0000     44043.1855        -222376.2294       160.2170   -266419.4149   -222047.6766       160.2170          -2709.1543     -2407.4665    921491.4634     -2709.1543     -2407.4665

ENERGY:     354     19814.0380     19544.5089      5682.7360       181.9868        -335375.1818     22676.8662         0.0000         0.0000     44983.0756        -222491.9703       163.6361   -267475.0458   -222046.2246       163.6361          -2040.9899     -2415.4742    921491.4634     -2040.9899     -2415.4742

ENERGY:     355     18879.8417     19773.7507      5689.2466       181.9196        -334823.9950     22664.4415         0.0000         0.0000     45120.2675        -222514.5274       164.1351   -267634.7949   -222044.8385       164.1351          -1600.3169     -2424.6828    921491.4634     -1600.3169     -2424.6828

ENERGY:     356     19622.4371     20015.8108      5694.4280       181.9402        -334758.7688     22674.4074         0.0000         0.0000     44153.0881        -222416.6572       160.6168   -266569.7453   -222053.0969       160.6168          -1622.0264     -2446.8267    921491.4634     -1622.0264     -2446.8267

ENERGY:     357     20687.2711     20255.1053      5697.1708       182.0215        -335288.0642     22700.2943         0.0000         0.0000     43438.0174        -222328.1838       158.0156   -265766.2012   -222042.2337       158.0156          -2061.3607     -2486.6664    921491.4634     -2061.3607     -2486.6664

ENERGY:     358     20785.4064     20424.8427      5696.9833       182.1295        -336225.9476     22730.2413         0.0000         0.0000     44019.5821        -222386.7623       160.1311   -266406.3444   -222043.9952       160.1311          -2636.8581     -2541.3594    921491.4634     -2636.8581     -2541.3594

ENERGY:     359     20493.6439     20484.4982      5694.4424       182.1894        -337270.5927     22762.0663         0.0000         0.0000     45152.8978        -222500.8547       164.2538   -267653.7525   -222046.1009       164.2538          -3161.2178     -2593.4283    921491.4634     -3161.2178     -2593.4283

TIMING: 360  CPU: 169.802, 0.459742/step  Wall: 169.802, 0.459742/step, 0.0178788 hours remaining, 3224.265625 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     21112.5812     20418.0331      5690.9152       182.1442        -338077.5501     22797.1672         0.0000         0.0000     45362.4567        -222514.2525       165.0162   -267876.7092   -222065.3877       165.0162          -3505.9503     -2622.8572    921491.4634     -3505.9503     -2622.8572

ENERGY:     361     22462.8276     20259.6924      5688.3191       181.9496        -338397.1520     22827.2216         0.0000         0.0000     44580.8518        -222396.2898       162.1729   -266977.1416   -222052.4541       162.1729          -3542.5443     -2618.5019    921491.4634     -3542.5443     -2618.5019

ENERGY:     362     22808.6003     20031.2788      5688.3204       181.6679        -338079.7607     22835.7521         0.0000         0.0000     44200.9550        -222333.1862       160.7909   -266534.1412   -222051.2758       160.7909          -3087.0697     -2583.1905    921491.4634     -3087.0697     -2583.1905

ENERGY:     363     21303.6021     19794.1187      5692.1162       181.3427        -337235.0084     22818.0647         0.0000         0.0000     45033.6625        -222412.1016       163.8201   -267445.7641   -222049.5301       163.8201          -2242.6819     -2529.7064    921491.4634     -2242.6819     -2529.7064

ENERGY:     364     19323.8975     19612.6014      5699.8913       181.0103        -336175.1997     22790.5189         0.0000         0.0000     46034.3487        -222532.9316       167.4603   -268567.2803   -222068.5921       167.4603          -1420.0427     -2476.3758    921491.4634     -1420.0427     -2476.3758

ENERGY:     365     18830.5839     19548.3420      5710.7558       180.6857        -335316.0966     22775.7826         0.0000         0.0000     45760.0886        -222509.8580       166.4626   -268269.9465   -222057.4405       166.4626          -1100.2608     -2433.4824    921491.4634     -1100.2608     -2433.4824

ENERGY:     366     19854.2638     19578.5649      5722.5902       180.3919        -334923.1926     22780.3498         0.0000         0.0000     44422.2468        -222384.7851       161.5959   -266807.0320   -222057.2780       161.5959          -1392.6926     -2417.6864    921491.4634     -1392.6926     -2417.6864

ENERGY:     367     20741.0596     19662.8834      5732.9484       180.1165        -335098.3155     22794.3491         0.0000         0.0000     43662.6183        -222324.3403       158.8326   -265986.9586   -222058.3716       158.8326          -2104.1274     -2437.9269    921491.4634     -2104.1274     -2437.9269

ENERGY:     368     20561.5936     19748.2119      5739.6691       179.8275        -335728.0875     22808.6649         0.0000         0.0000     44272.8407        -222417.2799       161.0524   -266690.1205   -222068.2918       161.0524          -2928.4886     -2487.3071    921491.4634     -2928.4886     -2487.3071

ENERGY:     369     20346.9677     19812.6206      5741.6369       179.5048        -336580.3310     22825.3356         0.0000         0.0000     45155.6309        -222518.6346       164.2638   -267674.2655   -222061.1007       164.2638          -3666.9891     -2542.4575    921491.4634     -3666.9891     -2542.4575

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

ENERGY:     370     21302.3706     19815.7283      5738.6028       179.1429        -337296.0558     22846.3047         0.0000         0.0000     44920.4943        -222493.4122       163.4084   -267413.9065   -222062.2632       163.4084          -4081.4437     -2576.8191    921491.4634     -4081.4437     -2576.8191

ENERGY:     371     22799.2773     19758.4808      5731.5881       178.8004        -337606.4375     22861.3508         0.0000         0.0000     43904.8960        -222372.0439       159.7139   -266276.9400   -222061.9344       159.7139          -3956.1481     -2578.2818    921491.4634     -3956.1481     -2578.2818

ENERGY:     372     22964.3599     19665.2851      5722.4283       178.5955        -337391.7873     22854.0835         0.0000         0.0000     43672.6555        -222334.3796       158.8691   -266007.0351   -222060.3200       158.8691          -3189.3382     -2552.6173    921491.4634     -3189.3382     -2552.6173

ENERGY:     373     21253.1597     19603.3418      5713.4759       178.7080        -336784.3116     22822.4879         0.0000         0.0000     44782.9950        -222430.1433       162.9082   -267213.1383   -222050.3118       162.9082          -2037.0650     -2511.6657    921491.4634     -2037.0650     -2511.6657

ENERGY:     374     19285.9365     19613.0721      5706.5680       179.1985        -336019.1236     22785.5047         0.0000         0.0000     45912.3279        -222536.5160       167.0164   -268448.8438   -222048.2694       167.0164           -983.4306     -2469.0311    921491.4634      -983.4306     -2469.0311

ENERGY:     375     18893.7028     19735.2395      5703.0316       180.0533        -335443.7686     22766.6831         0.0000         0.0000     45660.9719        -222504.0865       166.1021   -268165.0584   -222047.0948       166.1021           -539.4861     -2439.8661    921491.4634      -539.4861     -2439.8661

ENERGY:     376     19884.0273     19962.1763      5703.2010       181.1433        -335321.8633     22772.8699         0.0000         0.0000     44434.3273        -222384.1181       161.6399   -266818.4454   -222050.5535       161.6399           -874.6222     -2439.6903    921491.4634      -874.6222     -2439.6903

ENERGY:     377     20646.4607     20251.1592      5706.5521       182.3248        -335763.5802     22794.3772         0.0000         0.0000     43848.2753        -222334.4308       159.5080   -266182.7061   -222041.4018       159.5080          -1819.5857     -2472.4987    921491.4634     -1819.5857     -2472.4987

ENERGY:     378     20473.8098     20495.6593      5711.4639       183.2952        -336584.2280     22821.5836         0.0000         0.0000     44474.7535        -222423.6627       161.7869   -266898.4162   -222044.3973       161.7869          -2972.9873     -2523.3499    921491.4634     -2972.9873     -2523.3499

ENERGY:     379     20419.4576     20623.8790      5716.2160       183.8420        -337495.6098     22854.5152         0.0000         0.0000     45185.6412        -222512.0588       164.3729   -267697.7000   -222047.0135       164.3729          -3997.4172     -2563.3073    921491.4634     -3997.4172     -2563.3073

TIMING: 380  CPU: 178.99, 0.459384/step  Wall: 178.99, 0.459384/step, 0.0153128 hours remaining, 3224.265625 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     21458.1132     20605.4119      5719.3306       183.8284        -338176.3454     22892.6529         0.0000         0.0000     44833.7898        -222483.2186       163.0930   -267317.0084   -222063.6485       163.0930          -4580.2702     -2564.2101    921491.4634     -4580.2702     -2564.2101

ENERGY:     381     22824.3128     20467.0310      5720.1164       183.2929        -338395.2414     22923.6569         0.0000         0.0000     43906.3000        -222370.5313       159.7191   -266276.8313   -222053.0352       159.7191          -4470.7196     -2514.6121    921491.4634     -4470.7196     -2514.6121

ENERGY:     382     22844.1904     20220.4986      5718.3197       182.2157        -338010.6535     22930.5473         0.0000         0.0000     43766.5293        -222348.3524       159.2106   -266114.8818   -222051.0368       159.2106          -3524.7150     -2418.5488    921491.4634     -3524.7150     -2418.5488

ENERGY:     383     21263.6992     19910.9246      5714.6670       180.7420        -337128.0228     22911.2846         0.0000         0.0000     44707.9438        -222438.7616       162.6352   -267146.7055   -222048.1885       162.6352          -2023.0803     -2294.0132    921491.4634     -2023.0803     -2294.0132

ENERGY:     384     19625.4112     19596.0354      5710.5349       179.0647        -336052.0486     22884.2535         0.0000         0.0000     45539.1826        -222517.5663       165.6590   -268056.7489   -222062.0931       165.6590           -569.2380     -2166.9358    921491.4634      -569.2380     -2166.9358

ENERGY:     385     19327.8181     19356.8912      5707.7751       177.4354        -335210.6400     22871.6144         0.0000         0.0000     45299.7163        -222469.3894       164.7879   -267769.1058   -222051.0998       164.7879            215.3515     -2064.3636    921491.4634       215.3515     -2064.3636

ENERGY:     386     19981.2273     19220.9464      5707.6638       175.9384        -334865.1817     22880.7959         0.0000         0.0000     44519.8579        -222378.7521       161.9510   -266898.6100   -222051.0442       161.9510            122.6670     -2011.2428    921491.4634       122.6670     -2011.2428

ENERGY:     387     20367.2858     19202.4843      5710.9354       174.6759        -335109.8725     22905.2745         0.0000         0.0000     44377.1811        -222372.0354       161.4320   -266749.2165   -222053.0055       161.4320           -738.9583     -2019.1688    921491.4634      -738.9583     -2019.1688

ENERGY:     388     20282.3984     19280.0166      5717.2934       173.7038        -335824.1514     22938.2902         0.0000         0.0000     44972.7757        -222459.6732       163.5986   -267432.4490   -222067.4819       163.5986          -2063.8551     -2076.2819    921491.4634     -2063.8551     -2076.2819

ENERGY:     389     20685.9712     19431.2563      5725.6291       173.0778        -336772.2801     22978.5921         0.0000         0.0000     45279.3789        -222498.3747       164.7139   -267777.7536   -222059.2966       164.7139          -3501.7337     -2158.1990    921491.4634     -3501.7337     -2158.1990

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

ENERGY:     390     21929.5052     19598.7448      5733.9032       172.7580        -337596.2511     23021.3364         0.0000         0.0000     44698.9832        -222441.0203       162.6026   -267140.0035   -222061.4796       162.6026          -4540.4921     -2229.7772    921491.4634     -4540.4921     -2229.7772

ENERGY:     391     22937.3145     19764.3496      5740.3107       172.7562        -338017.7277     23051.7302         0.0000         0.0000     43987.0066        -222364.2599       160.0126   -266351.2665   -222061.6922       160.0126          -4746.5205     -2270.9346    921491.4634     -4746.5205     -2270.9346

ENERGY:     392     22488.0359     19924.0529      5743.6080       173.0775        -337898.4690     23055.0075         0.0000         0.0000     44125.3364        -222389.3508       160.5158   -266514.6872   -222067.3172       160.5158          -3965.0288     -2276.9602    921491.4634     -3965.0288     -2276.9602

ENERGY:     393     20924.3595     20087.8868      5743.5041       173.6901        -337346.1131     23032.5729         0.0000         0.0000     44913.3816        -222470.7182       163.3825   -267384.0998   -222058.1713       163.3825          -2525.7427     -2257.0109    921491.4634     -2525.7427     -2257.0109

ENERGY:     394     19713.0845     20210.4902      5740.1181       174.4904        -336587.4370     23002.1146         0.0000         0.0000     45247.1169        -222500.0223       164.5966   -267747.1392   -222054.8632       164.5966           -988.4118     -2227.7232    921491.4634      -988.4118     -2227.7232

ENERGY:     395     19644.4020     20265.5067      5734.3763       175.3161        -335972.1485     22982.1023         0.0000         0.0000     44739.8934        -222430.5518       162.7514   -267170.4452   -222052.2376       162.7514             57.9322     -2215.1747    921491.4634        57.9322     -2215.1747

ENERGY:     396     20000.9211     20248.4505      5727.6303       175.9620        -335765.9673     22978.8841         0.0000         0.0000     44270.3048        -222363.8145       161.0432   -266634.1193   -222050.8952       161.0432            285.8966     -2246.0848    921491.4634       285.8966     -2246.0848

ENERGY:     397     19906.7783     20200.7709      5721.4919       176.2273        -336102.8180     22990.0378         0.0000         0.0000     44712.8673        -222394.6445       162.6531   -267107.5118   -222042.6603       162.6531           -376.0861     -2327.2101    921491.4634      -376.0861     -2327.2101

ENERGY:     398     19692.8115     20133.3590      5716.9814       176.0456        -336812.3383     23014.0588         0.0000         0.0000     45592.7321        -222486.3500       165.8538   -268079.0821   -222045.7225       165.8538          -1710.2235     -2443.6965    921491.4634     -1710.2235     -2443.6965

ENERGY:     399     20395.5108     20061.2890      5714.6367       175.4775        -337634.0290     23050.4590         0.0000         0.0000     45731.2025        -222505.4535       166.3575   -268236.6559   -222049.1606       166.3575          -3349.4391     -2564.3619    921491.4634     -3349.4391     -2564.3619

LDB: ============= START OF LOAD BALANCING ============== 194.117
LDB: Largest compute 230 load 0.526679 is 1.2% of average load 45.540277
LDB: Average compute 0.063767 is 0.1% of average load 45.540277
LDB: TIME 194.118 LOAD: AVG 45.5403 MAX 45.9848  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.27 MB
LDB: TIME 194.119 LOAD: AVG 45.5403 MAX 45.9848  PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.27 MB
LDB: TIME 194.119 LOAD: AVG 45.5403 MAX 45.9848  PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.27 MB
LDB: ============== END OF LOAD BALANCING =============== 194.12
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.12
Info: Benchmark time: 4 CPUs 0.459792 s/step 5.32166 days/ns 3224.27 MB memory
TIMING: 400  CPU: 188.181, 0.459555/step  Wall: 188.181, 0.459555/step, 0.0127654 hours remaining, 3224.265625 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     21983.9559     19981.4882      5714.2278       174.7230        -338264.6732     23090.3531         0.0000         0.0000     44890.2678        -222429.6575       163.2985   -267319.9253   -222060.6835       163.2985          -4748.6077     -2656.9997    921491.4634     -4748.6077     -2656.9997

ENERGY:     401     23053.7075     19909.1478      5715.0562       174.0724        -338477.1028     23114.9570         0.0000         0.0000     44157.6673        -222352.4947       160.6335   -266510.1620   -222050.1994       160.6335          -5384.8816     -2700.1793    921491.4634     -5384.8816     -2700.1793

ENERGY:     402     22444.0481     19835.9109      5715.8942       173.8391        -338107.6291     23109.6382         0.0000         0.0000     44436.8093        -222391.4894       161.6489   -266828.2987   -222049.2230       161.6489          -4939.3796     -2681.7024    921491.4634     -4939.3796     -2681.7024

ENERGY:     403     20784.9695     19778.4829      5715.7218       174.2695        -337239.9788     23077.8406         0.0000         0.0000     45225.5958        -222483.0988       164.5183   -267708.6946   -222046.6858       164.5183          -3613.5978     -2605.7427    921491.4634     -3613.5978     -2605.7427

ENERGY:     404     19687.5953     19735.4029      5713.8113       175.5084        -336169.1143     23038.2904         0.0000         0.0000     45313.8388        -222504.6672       164.8393   -267818.5060   -222060.2374       164.8393          -1967.0747     -2494.0438    921491.4634     -1967.0747     -2494.0438

ENERGY:     405     19798.8802     19696.7724      5710.0280       177.6162        -335317.9349     23008.3951         0.0000         0.0000     44511.4430        -222414.8001       161.9204   -266926.2431   -222047.5593       161.9204           -627.4747     -2380.7862    921491.4634      -627.4747     -2380.7862

ENERGY:     406     20210.3504     19614.0442      5704.4964       180.4779        -334953.8238     22994.4766         0.0000         0.0000     43902.7659        -222347.2124       159.7062   -266249.9783   -222046.2407       159.7062             66.0355     -2300.4795    921491.4634        66.0355     -2300.4795

ENERGY:     407     20044.4886     19493.9062      5698.1031       183.8794        -335181.5233     22996.8165         0.0000         0.0000     44376.0632        -222388.2663       161.4279   -266764.3295   -222047.0773       161.4279            -41.3217     -2272.9968    921491.4634       -41.3217     -2272.9968

ENERGY:     408     19735.8468     19387.6642      5692.2151       187.5226        -335902.8221     23017.8177         0.0000         0.0000     45394.4119        -222487.3438       165.1324   -267881.7557   -222063.5317       165.1324           -920.8280     -2294.1556    921491.4634      -920.8280     -2294.1556

ENERGY:     409     20350.1188     19376.4605      5688.4775       191.1593        -336896.6850     23057.9925         0.0000         0.0000     45733.6055        -222498.8709       166.3663   -268232.4764   -222051.6710       166.3663          -2367.4920     -2346.9325    921491.4634     -2367.4920     -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     19470.1801      5687.6649       194.4179        -337813.1849     23106.2032         0.0000         0.0000     45077.0710        -222427.1266       163.9780   -267504.1976   -222054.6433       163.9780          -3838.6213     -2402.0240    921491.4634     -3838.6213     -2402.0240

ENERGY:     411     22931.8003     19651.0975      5689.8740       197.0388        -338354.2248     23140.9048         0.0000         0.0000     44380.5342        -222362.9752       161.4442   -266743.5093   -222056.2120       161.4442          -4745.1593     -2436.8801    921491.4634     -4745.1593     -2436.8801

ENERGY:     412     22535.8952     19878.8220      5694.3233       198.8205        -338356.4976     23146.2938         0.0000         0.0000     44499.5080        -222402.8348       161.8770   -266902.3428   -222068.4604       161.8770          -4717.2142     -2436.3029    921491.4634     -4717.2142     -2436.3029

ENERGY:     413     21130.1417     20138.5248      5699.9333       199.7191        -337872.5320     23125.1118         0.0000         0.0000     45113.2138        -222465.8874       164.1095   -267579.1012   -222055.3458       164.1095          -3850.6272     -2398.9550    921491.4634     -3850.6272     -2398.9550

ENERGY:     414     19987.3856     20381.5505      5705.1134       199.5118        -337122.7797     23094.4559         0.0000         0.0000     45271.6522        -222483.1102       164.6858   -267754.7624   -222052.1628       164.6858          -2501.3243     -2333.9465    921491.4634     -2501.3243     -2333.9465

ENERGY:     415     19745.2665     20572.1258      5708.7451       198.1487        -336456.1970     23071.1992         0.0000         0.0000     44733.2268        -222427.4849       162.7272   -267160.7117   -222049.0351       162.7272          -1174.6452     -2266.5616    921491.4634     -1174.6452     -2266.5616

ENERGY:     416     19942.3167     20661.9895      5710.0856       195.6953        -336157.5855     23063.1714         0.0000         0.0000     44200.2845        -222384.0423       160.7885   -266584.3269   -222052.9646       160.7885           -282.7611     -2224.6896    921491.4634      -282.7611     -2224.6896

ENERGY:     417     20031.3746     20631.3208      5709.0493       192.4696        -336373.1068     23072.1097         0.0000         0.0000     44338.4615        -222398.3212       161.2911   -266736.7827   -222044.6995       161.2911           -112.4551     -2227.1699    921491.4634      -112.4551     -2227.1699

ENERGY:     418     20154.6646     20457.0909      5705.5847       188.6536        -336970.7861     23098.6724         0.0000         0.0000     44915.1418        -222450.9781       163.3889   -267366.1199   -222046.7095       163.3889           -671.8544     -2269.9921    921491.4634      -671.8544     -2269.9921

ENERGY:     419     20790.7631     20185.5524      5700.4810       184.6054        -337717.8750     23139.8021         0.0000         0.0000     45250.3095        -222466.3615       164.6082   -267716.6710   -222049.5952       164.6082          -1783.9422     -2336.6465    921491.4634     -1783.9422     -2336.6465

TIMING: 420  CPU: 197.348, 0.458339/step  Wall: 197.348, 0.458339/step, 0.0101853 hours remaining, 3224.265625 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     19887.3912      5695.0414       180.6770        -338321.5507     23183.0571         0.0000         0.0000     45121.9770        -222440.5309       164.1414   -267562.5079   -222061.1152       164.1414          -3051.6032     -2402.9275    921491.4634     -3051.6032     -2402.9275

ENERGY:     421     22491.6106     19639.6137      5690.9237       177.2518        -338550.3530     23210.1381         0.0000         0.0000     44931.8954        -222408.9196       163.4499   -267340.8150   -222052.6023       163.4499          -4041.3729     -2452.8637    921491.4634     -4041.3729     -2452.8637

ENERGY:     422     22275.7614     19449.5351      5688.9976       174.4058        -338225.0309     23208.5471         0.0000         0.0000     45004.7077        -222423.0762       163.7148   -267427.7839   -222052.8454       163.7148          -4363.1156     -2465.6374    921491.4634     -4363.1156     -2465.6374

ENERGY:     423     21418.8985     19324.4274      5689.6736       172.2145        -337416.8949     23180.6035         0.0000         0.0000     45183.9707        -222447.1068       164.3669   -267631.0774   -222051.5237       164.3669          -3955.8310     -2434.9307    921491.4634     -3955.8310     -2434.9307

ENERGY:     424     20531.3309     19270.7815      5692.6542       170.6563        -336406.2758     23140.4641         0.0000         0.0000     45151.0452        -222449.3437       164.2471   -267600.3889   -222060.4133       164.2471          -3030.1611     -2370.2035    921491.4634     -3030.1611     -2370.2035

ENERGY:     425     19942.3359     19314.5606      5697.3263       169.6876        -335607.5199     23103.7915         0.0000         0.0000     44956.0477        -222423.7704       163.5377   -267379.8180   -222050.7970       163.5377          -1980.9654     -2297.0092    921491.4634     -1980.9654     -2297.0092

ENERGY:     426     19603.3344     19432.3067      5702.4946       169.0990        -335270.6869     23080.2886         0.0000         0.0000     44862.7383        -222420.4253       163.1983   -267283.1636   -222049.1096       163.1983          -1125.8050     -2237.7217    921491.4634     -1125.8050     -2237.7217

ENERGY:     427     19598.5312     19595.2895      5707.1504       168.7509        -335498.4313     23074.5001         0.0000         0.0000     44915.2775        -222438.9317       163.3894   -267354.2092   -222048.7344       163.3894           -741.9009     -2207.6357    921491.4634      -741.9009     -2207.6357

ENERGY:     428     20140.4225     19760.4168      5710.4628       168.5259        -336199.9846     23087.7671         0.0000         0.0000     44884.2595        -222448.1301       163.2766   -267332.3895   -222058.0553       163.2766           -935.5732     -2206.9586    921491.4634      -935.5732     -2206.9586

ENERGY:     429     21147.3675     19912.0617      5712.1357       168.3557        -337181.5902     23116.4515         0.0000         0.0000     44706.5243        -222418.6938       162.6300   -267125.2181   -222045.4885       162.6300          -1630.8087     -2233.4563    921491.4634     -1630.8087     -2233.4563

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     20024.3737      5712.1700       168.1897        -338096.9202     23149.4487         0.0000         0.0000     44626.3098        -222402.4410       162.3383   -267028.7509   -222047.3919       162.3383          -2472.2460     -2268.0466    921491.4634     -2472.2460     -2268.0466

ENERGY:     431     22204.1022     20111.4153      5711.2600       168.0704        -338644.7644     23172.3799         0.0000         0.0000     44858.4630        -222419.0736       163.1828   -267277.5366   -222048.7173       163.1828          -3116.2810     -2293.5593    921491.4634     -3116.2810     -2293.5593

ENERGY:     432     21768.3704     20188.6724      5710.3546       168.1086        -338651.2102     23176.0840         0.0000         0.0000     45177.9911        -222461.6290       164.3451   -267639.6201   -222065.9063       164.3451          -3350.2745     -2296.1499    921491.4634     -3350.2745     -2296.1499

ENERGY:     433     21200.9072     20275.9664      5710.3763       168.4633        -338164.0639     23162.2906         0.0000         0.0000     45192.9286        -222453.1315       164.3995   -267646.0601   -222052.5986       164.3995          -3187.3736     -2272.1278    921491.4634     -3187.3736     -2272.1278

ENERGY:     434     20730.3413     20338.1500      5711.6061       169.3247        -337394.2706     23140.7731         0.0000         0.0000     44883.0999        -222420.9756       163.2724   -267304.0755   -222051.1467       163.2724          -2694.3110     -2227.7886    921491.4634     -2694.3110     -2227.7886

ENERGY:     435     20235.2200     20362.4015      5714.0003       170.8455        -336680.6557     23123.4094         0.0000         0.0000     44675.9841        -222398.7949       162.5190   -267074.7790   -222049.5893       162.5190          -2061.3583     -2179.8952    921491.4634     -2061.3583     -2179.8952

ENERGY:     436     19670.9241     20349.9982      5717.2345       173.0864        -336303.8814     23119.9075         0.0000         0.0000     44847.0985        -222425.6322       163.1414   -267272.7308   -222059.6964       163.1414          -1520.6598     -2145.1619    921491.4634     -1520.6598     -2145.1619

ENERGY:     437     19434.5514     20329.5093      5720.9893       175.9827        -336411.9787     23136.3865         0.0000         0.0000     45159.2688        -222455.2906       164.2770   -267614.5594   -222050.7508       164.2770          -1319.1168     -2134.4850    921491.4634     -1319.1168     -2134.4850

ENERGY:     438     19935.1530     20278.6097      5724.6883       179.3848        -336899.4578     23173.5517         0.0000         0.0000     45148.1323        -222459.9379       164.2365   -267608.0702   -222051.5673       164.2365          -1493.0941     -2145.0882    921491.4634     -1493.0941     -2145.0882

ENERGY:     439     21052.7407     20184.4298      5727.7929       183.0561        -337561.7721     23224.7480         0.0000         0.0000     44760.8208        -222428.1838       162.8276   -267189.0046   -222052.7971       162.8276          -1936.1989     -2169.8748    921491.4634     -1936.1989     -2169.8748

TIMING: 440  CPU: 206.508, 0.458005/step  Wall: 206.508, 0.458005/step, 0.00763341 hours remaining, 3224.265625 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     22071.5685     20036.2373      5729.7527       186.7202        -338123.1807     23276.2485         0.0000         0.0000     44417.5455        -222405.1082       161.5788   -266822.6537   -222059.4776       161.5788          -2408.4614     -2197.9672    921491.4634     -2408.4614     -2197.9672

ENERGY:     441     22355.5488     19860.0409      5730.3487       190.1146        -338361.1715     23313.2044         0.0000         0.0000     44502.6959        -222409.2182       161.8886   -266911.9141   -222050.0863       161.8886          -2716.1030     -2221.5314    921491.4634     -2716.1030     -2221.5314

ENERGY:     442     21853.6119     19664.5348      5729.4854       192.9412        -338090.1532     23327.1567         0.0000         0.0000     44880.6316        -222441.7917       163.2634   -267322.4232   -222049.7758       163.2634          -2710.5579     -2229.0697    921491.4634     -2710.5579     -2229.0697

ENERGY:     443     21064.3316     19487.0720      5727.6164       194.9329        -337369.3148     23320.0157         0.0000         0.0000     45118.1103        -222457.2357       164.1273   -267575.3460   -222048.5999       164.1273          -2448.1651     -2220.3531    921491.4634     -2448.1651     -2220.3531

ENERGY:     444     20449.3363     19357.2686      5725.4095       195.8735        -336464.1920     23301.5276         0.0000         0.0000     44987.7173        -222447.0593       163.6530   -267434.7765   -222057.9802       163.6530          -2090.2101     -2206.4400    921491.4634     -2090.2101     -2206.4400

ENERGY:     445     20125.5607     19307.2513      5723.6513       195.6942        -335759.3910     23283.8139         0.0000         0.0000     44708.7150        -222414.7046       162.6380   -267123.4196   -222046.5433       162.6380          -1846.9626     -2201.6925    921491.4634     -1846.9626     -2201.6925

ENERGY:     446     19947.6803     19324.9002      5722.5429       194.3235        -335494.5704     23276.0451         0.0000         0.0000     44620.2940        -222408.7844       162.3164   -267029.0784   -222046.1625       162.3164          -1800.7516     -2216.7293    921491.4634     -1800.7516     -2216.7293

ENERGY:     447     19914.2846     19416.0207      5722.2107       191.8641        -335769.4396     23282.7458         0.0000         0.0000     44816.5082        -222425.8055       163.0301   -267242.3137   -222046.8348       163.0301          -1993.3110     -2253.0603    921491.4634     -1993.3110     -2253.0603

ENERGY:     448     20187.5919     19583.6798      5722.5764       188.5554        -336503.1800     23303.8904         0.0000         0.0000     45065.6668        -222451.2192       163.9365   -267516.8860   -222059.3487       163.9365          -2372.1878     -2303.7900    921491.4634     -2372.1878     -2303.7900

ENERGY:     449     20877.4059     19832.6985      5723.5712       184.8596        -337500.9073     23334.5922         0.0000         0.0000     45101.1672        -222446.6126       164.0657   -267547.7798   -222047.7106       164.0657          -2827.1082     -2356.1409    921491.4634     -2827.1082     -2356.1409

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        -338419.3253     23364.6242         0.0000         0.0000     44854.3091        -222432.2093       163.1676   -267286.5184   -222048.7867       163.1676          -3116.6759     -2394.3898    921491.4634     -3116.6759     -2394.3898

ENERGY:     451     22355.5904     20357.7256      5724.7143       177.6517        -338952.0915     23381.8006         0.0000         0.0000     44542.6982        -222411.9107       162.0341   -266954.6089   -222048.8253       162.0341          -3074.2536     -2405.7799    921491.4634     -3074.2536     -2405.7799

ENERGY:     452     22246.2017     20536.0135      5723.8953       174.8859        -338927.1541     23378.0942         0.0000         0.0000     44452.9192        -222415.1443       161.7075   -266868.0635   -222059.6374       161.7075          -2659.9607     -2384.7568    921491.4634     -2659.9607     -2384.7568

ENERGY:     453     21399.8728     20641.1312      5722.2878       173.1350        -338392.7938     23354.5906         0.0000         0.0000     44683.7029        -222418.0734       162.5470   -267101.7763   -222043.5375       162.5470          -2048.3340     -2342.4668    921491.4634     -2048.3340     -2342.4668

ENERGY:     454     20248.3382     20654.1376      5720.2217       172.3637        -337567.1418     23320.6900         0.0000         0.0000     45008.1461        -222443.2446       163.7273   -267451.3907   -222041.8395       163.7273          -1453.4580     -2293.1450    921491.4634     -1453.4580     -2293.1450

ENERGY:     455     19486.7906     20584.7123      5718.4844       172.5169        -336790.6454     23290.4022         0.0000         0.0000     45086.5783        -222451.1607       164.0126   -267537.7390   -222040.8574       164.0126          -1151.8824     -2255.8572    921491.4634     -1151.8824     -2255.8572

ENERGY:     456     19493.3720     20440.6804      5717.7555       173.4248        -336350.1079     23274.9630         0.0000         0.0000     44811.4719        -222438.4403       163.0118   -267249.9122   -222055.3494       163.0118          -1305.5004     -2245.5824    921491.4634     -1305.5004     -2245.5824

ENERGY:     457     20047.4927     20251.9438      5718.5580       174.9241        -336395.8166     23277.8273         0.0000         0.0000     44521.8697        -222403.2010       161.9583   -266925.0707   -222049.4140       161.9583          -1906.4164     -2263.5014    921491.4634     -1906.4164     -2263.5014

ENERGY:     458     20585.8433     20019.2726      5720.7060       176.6081        -336835.0958     23294.7171         0.0000         0.0000     44632.7880        -222405.1607       162.3618   -267037.9487   -222051.2830       162.3618          -2684.6986     -2301.0428    921491.4634     -2684.6986     -2301.0428

ENERGY:     459     20903.4943     19784.9692      5724.0021       178.1985        -337468.1641     23318.6981         0.0000         0.0000     45113.9359        -222444.8660       164.1121   -267558.8019   -222053.1419       164.1121          -3350.5831     -2341.5797    921491.4634     -3350.5831     -2341.5797

TIMING: 460  CPU: 215.66, 0.457592/step  Wall: 215.66, 0.457592/step, 0.00508435 hours remaining, 3224.265625 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     19597.9064      5728.0971       179.4910        -338014.3763     23341.7999         0.0000         0.0000     45423.8558        -222480.6122       165.2395   -267904.4680   -222064.6842       165.2395          -3669.8202     -2365.2413    921491.4634     -3669.8202     -2365.2413

ENERGY:     461     21862.8763     19507.1074      5732.5752       180.4333        -338251.6211     23355.3933         0.0000         0.0000     45154.6130        -222458.6225       164.2601   -267613.2355   -222058.0513       164.2601          -3556.1668     -2361.1800    921491.4634     -3556.1668     -2361.1800

ENERGY:     462     22264.2258     19487.8106      5736.4822       180.9531        -337988.7164     23351.1084         0.0000         0.0000     44559.9283        -222408.2080       162.0968   -266968.1363   -222056.7220       162.0968          -2954.8203     -2323.4252    921491.4634     -2954.8203     -2323.4252

ENERGY:     463     21821.1793     19513.9012      5738.9361       181.1160        -337284.1022     23326.9475         0.0000         0.0000     44313.4563        -222388.5658       161.2002   -266702.0221   -222054.6248       161.2002          -2012.4427     -2264.0779    921491.4634     -2012.4427     -2264.0779

ENERGY:     464     20535.2460     19559.9268      5739.2518       181.0096        -336389.3830     23291.1940         0.0000         0.0000     44654.0260        -222428.7288       162.4391   -267082.7548   -222058.5733       162.4391          -1050.9229     -2205.5269    921491.4634     -1050.9229     -2205.5269

ENERGY:     465     19322.7826     19631.8851      5737.2898       180.7155        -335701.1523     23259.7389         0.0000         0.0000     45094.5680        -222474.1724       164.0416   -267568.7404   -222052.9392       164.0416           -512.3347     -2174.4009    921491.4634      -512.3347     -2174.4009

ENERGY:     466     19088.4509     19708.3579      5733.2107       180.2808        -335443.7714     23245.0602         0.0000         0.0000     45020.7900        -222467.6210       163.7733   -267488.4110   -222052.9789       163.7733           -630.3314     -2182.6711    921491.4634      -630.3314     -2182.6711

ENERGY:     467     19841.8068     19783.1741      5727.6704       179.7757        -335721.0941     23249.4528         0.0000         0.0000     44523.6657        -222415.5486       161.9649   -266939.2144   -222054.3499       161.9649          -1393.6029     -2232.5924    921491.4634     -1393.6029     -2232.5924

ENERGY:     468     20761.8479     19845.4941      5721.5089       179.2779        -336451.5660     23265.8124         0.0000         0.0000     44291.6579        -222385.9668       161.1209   -266677.6247   -222056.3596       161.1209          -2508.6714     -2314.1341    921491.4634     -2508.6714     -2314.1341

ENERGY:     469     21236.3013     19910.2021      5715.6824       178.8504        -337458.3199     23284.3961         0.0000         0.0000     44720.3199        -222412.5677       162.6802   -267132.8877   -222046.0755       162.6802          -3596.7406     -2405.7974    921491.4634     -3596.7406     -2405.7974

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

ENERGY:     470     21411.1730     19972.8934      5710.9491       178.5947        -338383.2509     23297.0672         0.0000         0.0000     45346.4574        -222466.1161       164.9579   -267812.5735   -222047.6093       164.9579          -4259.6997     -2477.6833    921491.4634     -4259.6997     -2477.6833

ENERGY:     471     21732.8679     20054.6835      5707.9626       178.5890        -338913.2458     23297.5085         0.0000         0.0000     45471.3367        -222470.2975       165.4122   -267941.6343   -222047.5364       165.4122          -4290.5686     -2504.3177    921491.4634     -4290.5686     -2504.3177

ENERGY:     472     22081.2364     20161.5552      5707.0091       178.9047        -338870.6779     23279.4491         0.0000         0.0000     45028.5299        -222433.9935       163.8014   -267462.5234   -222059.5064       163.8014          -3659.7365     -2479.9187    921491.4634     -3659.7365     -2479.9187

ENERGY:     473     21866.1364     20289.3428      5707.9843       179.6165        -338307.7206     23240.7364         0.0000         0.0000     44634.5177        -222389.3865       162.3681   -267023.9042   -222043.8545       162.3681          -2556.3621     -2408.1660    921491.4634     -2556.3621     -2408.1660

ENERGY:     474     20842.9705     20372.0989      5710.2160       180.7466        -337438.4568     23189.2349         0.0000         0.0000     44733.2312        -222409.9587       162.7272   -267143.1899   -222041.2625       162.7272          -1295.5529     -2316.2731    921491.4634     -1295.5529     -2316.2731

ENERGY:     475     19674.2080     20371.7677      5712.9876       182.2512        -336604.2330     23142.3819         0.0000         0.0000     45070.2144        -222450.4222       163.9531   -267520.6366   -222039.4536       163.9531           -344.6452     -2232.2128    921491.4634      -344.6452     -2232.2128

ENERGY:     476     19235.7862     20282.0278      5715.7683       184.0125        -336100.0919     23115.8467         0.0000         0.0000     45106.0637        -222460.5866       164.0835   -267566.6503   -222053.6143       164.0835            -92.4051     -2183.0654    921491.4634       -92.4051     -2183.0654

ENERGY:     477     19704.7250     20145.9816      5718.4976       185.9230        -336101.8804     23114.2940         0.0000         0.0000     44812.3211        -222420.1380       163.0149   -267232.4591   -222044.8416       163.0149           -667.4946     -2171.8230    921491.4634      -667.4946     -2171.8230

ENERGY:     478     20493.4774     19974.7640      5721.0254       187.7262        -336537.4049     23131.2461         0.0000         0.0000     44627.0337        -222402.1320       162.3409   -267029.1657   -222047.4112       162.3409          -1807.1603     -2198.7957    921491.4634     -1807.1603     -2198.7957

ENERGY:     479     21125.3054     19793.3957      5723.3295       189.2099        -337215.5849     23156.6772         0.0000         0.0000     44802.1584        -222425.5088       162.9779   -267227.6672   -222050.5465       162.9779          -3089.8515     -2246.7918    921491.4634     -3089.8515     -2246.7918

TIMING: 480  CPU: 224.811, 0.457578/step  Wall: 224.811, 0.457578/step, 0.0025421 hours remaining, 3224.265625 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     21624.0325     19623.1964      5725.3111       190.1901        -337854.6790     23181.5119         0.0000         0.0000     45051.6820        -222458.7552       163.8856   -267510.4371   -222064.6211       163.8856          -4077.7324     -2291.4890    921491.4634     -4077.7324     -2291.4890

ENERGY:     481     22092.4855     19510.0431      5727.0952       190.6351        -338199.2484     23196.7959         0.0000         0.0000     45041.3372        -222440.8564       163.8480   -267482.1936   -222052.5267       163.8480          -4466.2393     -2305.6731    921491.4634     -4466.2393     -2305.6731

ENERGY:     482     22186.3470     19466.6791      5728.4964       190.3598        -338044.5421     23192.7474         0.0000         0.0000     44865.8522        -222414.0602       163.2096   -267279.9124   -222051.4114       163.2096          -4059.3097     -2278.0613    921491.4634     -4059.3097     -2278.0613

ENERGY:     483     21553.1415     19511.5742      5729.5660       189.3227        -337426.2186     23165.8740         0.0000         0.0000     44861.8972        -222414.8431       163.1953   -267276.7403   -222048.7674       163.1953          -2964.1722     -2216.4114    921491.4634     -2964.1722     -2216.4114

ENERGY:     484     20460.8925     19631.1936      5730.2465       187.5455        -336590.8888     23126.1350         0.0000         0.0000     45003.6034        -222451.2723       163.7107   -267454.8757   -222059.8748       163.7107          -1565.2427     -2143.1850    921491.4634     -1565.2427     -2143.1850

ENERGY:     485     19688.7720     19800.2989      5730.5256       185.2458        -335902.5868     23092.8469         0.0000         0.0000     44955.5725        -222449.3251       163.5360   -267404.8976   -222045.9611       163.5360           -422.1571     -2086.8736    921491.4634      -422.1571     -2086.8736

ENERGY:     486     19602.5427     19954.8174      5729.7198       182.4662        -335612.3568     23080.3806         0.0000         0.0000     44645.9114        -222416.5187       162.4096   -267062.4301   -222044.6766       162.4096             87.3180     -2070.0983    921491.4634        87.3180     -2070.0983

ENERGY:     487     19881.0925     20072.0212      5727.4348       179.4360        -335846.4481     23091.0542         0.0000         0.0000     44503.3490        -222392.0605       161.8910   -266895.4095   -222045.2413       161.8910           -192.2346     -2106.8841    921491.4634      -192.2346     -2106.8841

ENERGY:     488     20125.2096     20156.1361      5723.5441       176.4338        -336552.5452     23118.8614         0.0000         0.0000     44827.0555        -222425.3048       163.0685   -267252.3602   -222057.1945       163.0685          -1145.7533     -2194.6681    921491.4634     -1145.7533     -2194.6681

ENERGY:     489     20526.8868     20236.4609      5718.5749       173.8639        -337540.4656     23156.7307         0.0000         0.0000     45266.1004        -222461.8480       164.6656   -267727.9484   -222045.6092       164.6656          -2511.2404     -2316.7068    921491.4634     -2511.2404     -2316.7068

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

ENERGY:     490     21410.7488     20292.9023      5712.8912       171.8438        -338458.1363     23196.4874         0.0000         0.0000     45213.5628        -222459.7000       164.4745   -267673.2628   -222048.2215       164.4745          -3823.4039     -2437.4156    921491.4634     -3823.4039     -2437.4156

ENERGY:     491     22430.4641     20312.1363      5707.3795       170.5404        -338984.5797     23226.0934         0.0000         0.0000     44733.0086        -222404.9575       162.7264   -267137.9661   -222049.4645       162.7264          -4629.6936     -2524.6217    921491.4634     -4629.6936     -2524.6217

ENERGY:     492     22612.9549     20289.6814      5702.9944       170.0207        -338937.5820     23232.7202         0.0000         0.0000     44542.1947        -222387.0156       162.0323   -266929.2103   -222060.3866       162.0323          -4606.8526     -2557.4730    921491.4634     -4606.8526     -2557.4730

ENERGY:     493     21558.2189     20260.7378      5700.7779       170.3200        -338358.0639     23214.0533         0.0000         0.0000     45033.8227        -222420.1331       163.8207   -267453.9558   -222046.5906       163.8207          -3796.3821     -2540.0997    921491.4634     -3796.3821     -2540.0997

ENERGY:     494     20068.3366     20225.0266      5700.9806       171.2193        -337454.3841     23183.0792         0.0000         0.0000     45622.2473        -222483.4945       165.9612   -268105.7418   -222044.0873       165.9612          -2500.8995     -2482.1069    921491.4634     -2500.8995     -2482.1069

ENERGY:     495     19383.2463     20186.8305      5703.5926       172.5416        -336566.9891     23159.4622         0.0000         0.0000     45484.1228        -222477.1931       165.4587   -267961.3159   -222041.5569       165.4587          -1249.6839     -2407.3057    921491.4634     -1249.6839     -2407.3057

ENERGY:     496     19722.4834     20130.6476      5708.0350       174.0933        -335998.7157     23154.2633         0.0000         0.0000     44699.5267        -222409.6664       162.6046   -267109.1931   -222049.0674       162.6046           -478.8998     -2343.4752    921491.4634      -478.8998     -2343.4752

ENERGY:     497     20212.6667     20059.9178      5713.4613       175.7242        -335952.5043     23166.3543         0.0000         0.0000     44261.0286        -222363.3515       161.0095   -266624.3801   -222042.7505       161.0095           -421.0232     -2316.7929    921491.4634      -421.0232     -2316.7929

ENERGY:     498     20182.0163     19957.1215      5718.5596       177.2604        -336366.4934     23189.3583         0.0000         0.0000     44728.2535        -222413.9238       162.7091   -267142.1773   -222044.5224       162.7091           -993.4679     -2331.6474    921491.4634      -993.4679     -2331.6474

ENERGY:     499     20158.0676     19847.7307      5722.4089       178.6361        -337058.4825     23219.2402         0.0000         0.0000     45439.2646        -222493.1344       165.2956   -267932.3990   -222047.2067       165.2956          -2020.8687     -2376.3392    921491.4634     -2020.8687     -2376.3392

Info: Benchmark time: 4 CPUs 0.457075 s/step 5.29022 days/ns 3224.27 MB memory
TIMING: 500  CPU: 233.889, 0.453871/step  Wall: 233.889, 0.453871/step, 0 hours remaining, 3224.265625 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     500     20974.8937     19756.6581      5724.4523       179.8271        -337741.4194     23251.1007         0.0000         0.0000     45359.0779        -222495.4096       165.0039   -267854.4875   -222061.0914       165.0039          -3197.5168     -2425.4143    921491.4634     -3197.5168     -2425.4143

WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.520 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.520 MB of memory in use
====================================================

WallClock: 240.713913  CPUTime: 240.713913  Memory: 3229.519531 MB
[Partition 0][Node 0] End of program
Application 109653348 resources: utime ~945s, stime ~19s, Rss ~126904, inblocks ~67012, outblocks ~72238
Displaying status file:
verified
WALL=240.713913
CPU=240.713913
MEM=3229.519531

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

[workspace] $ /bin/sh -xe /tmp/jenkins7542969420809972554.sh
+ rm -rf /var/lib/jenkins/jobs/NAMD-BW/workspace/cputime /var/lib/jenkins/jobs/NAMD-BW/workspace/memory /var/lib/jenkins/jobs/NAMD-BW/workspace/namd /var/lib/jenkins/jobs/NAMD-BW/workspace/wallclock
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-BW/workspace
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-BW/workspace
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-BW/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/memory
Finished: SUCCESS