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ENERGY:      83     17463.4115     17611.3784      5761.4800       185.4557        -334548.5448     23165.5264         0.0000         0.0000     47631.4997        -222729.7931       173.2703   -270361.2928   -222380.7998       173.2703          -2245.6201     -2209.9239    921491.4634     -2245.6201     -2209.9239

ENERGY:      84     15692.0180     17521.7593      5761.2958       180.7102        -333070.6342     23043.3534         0.0000         0.0000     48072.9174        -222798.5801       174.8761   -270871.4975   -222420.9191       174.8761          -1264.6406     -2119.1646    921491.4634     -1264.6406     -2119.1646

ENERGY:      85     19034.4747     18377.7082      5761.3316       176.5397        -332350.3361     22972.2187         0.0000         0.0000     43641.9416        -222386.1216       158.7574   -266028.0632   -222396.4597       158.7574          -1101.4910     -2031.8233    921491.4634     -1101.4910     -2031.8233

ENERGY:      86     22361.2995     19720.3241      5758.5583       173.6091        -332514.8436     22921.5212         0.0000         0.0000     39480.2342        -222099.2972       143.6182   -261579.5314   -222396.4728       143.6182          -1408.4307     -1992.0456    921491.4634     -1408.4307     -1992.0456

ENERGY:      87     21898.5873     20858.8152      5750.7775       172.4431        -333299.4427     22859.7331         0.0000         0.0000     39513.3018        -222245.7846       143.7385   -261759.0864   -222398.3221       143.7385          -1739.2135     -2002.6067    921491.4634     -1739.2135     -2002.6067

ENERGY:      88     19807.2124     21236.1262      5737.2297       173.3188        -334313.4192     22793.0785         0.0000         0.0000     42007.3339        -222559.1197       152.8111   -264566.4536   -222408.9126       152.8111          -2036.3958     -2043.8954    921491.4634     -2036.3958     -2043.8954

ENERGY:      89     20138.2922     20745.5547      5719.3133       176.3160        -335202.8320     22743.6988         0.0000         0.0000     43113.7497        -222565.9073       156.8360   -265679.6570   -222389.0011       156.8360          -2409.8247     -2071.1686    921491.4634     -2409.8247     -2071.1686

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

ENERGY:      90     22711.6048     19691.0677      5699.8921       181.1111        -335712.1129     22705.2745         0.0000         0.0000     42377.6758        -222345.4868       154.1583   -264723.1626   -222389.2090       154.1583          -2670.9833     -2080.5818    921491.4634     -2670.9833     -2080.5818

ENERGY:      91     23737.5989     18627.1146      5683.0577       187.2277        -335678.4156     22643.5818         0.0000         0.0000     42539.3830        -222260.4519       154.7466   -264799.8349   -222388.3578       154.7466          -2499.0954     -2078.8098    921491.4634     -2499.0954     -2078.8098

ENERGY:      92     21523.8221     18060.4537      5672.6738       194.0387        -335129.0785     22543.7115         0.0000         0.0000     44665.3079        -222469.0708       162.4801   -267134.3786   -222389.6058       162.4801          -1910.9684     -2078.9076    921491.4634     -1910.9684     -2078.9076

ENERGY:      93     18788.3598     18281.5996      5671.3717       200.9119        -334319.2924     22433.7892         0.0000         0.0000     46311.8833        -222631.3769       168.4699   -268943.2603   -222367.8860       168.4699          -1385.1718     -2068.2565    921491.4634     -1385.1718     -2068.2565

ENERGY:      94     18530.9327     19242.9915      5679.4418       207.1113        -333693.3060     22351.2077         0.0000         0.0000     45144.9171        -222536.7039       164.2248   -267681.6210   -222367.0863       164.2248          -1347.2600     -2063.4575    921491.4634     -1347.2600     -2063.4575

ENERGY:      95     20040.4585     20654.3437      5695.3527       212.0383        -333603.6976     22302.2586         0.0000         0.0000     42387.6997        -222311.5461       154.1948   -264699.2459   -222367.4632       154.1948          -1793.7082     -2083.6407    921491.4634     -1793.7082     -2083.6407

ENERGY:      96     20584.1063     22050.3789      5716.0483       215.1945        -334091.8990     22265.7316         0.0000         0.0000     40970.7076        -222289.7315       149.0402   -263260.4392   -222356.3659       149.0402          -2389.6990     -2142.8256    921491.4634     -2389.6990     -2142.8256

ENERGY:      97     19809.1309     22949.2012      5737.7476       216.2279        -334886.9638     22225.8322         0.0000         0.0000     41505.2398        -222443.5843       150.9847   -263948.8241   -222346.5814       150.9847          -2891.9374     -2214.1666    921491.4634     -2891.9374     -2214.1666

ENERGY:      98     19979.7556     22958.8354      5756.3117       214.8681        -335616.8429     22188.2114         0.0000         0.0000     41993.4226        -222525.4381       152.7605   -264518.8607   -222347.6396       152.7605          -3206.5490     -2272.3421    921491.4634     -3206.5490     -2272.3421

ENERGY:      99     22029.8951     22024.0796      5768.5777       211.0972        -336009.8228     22159.4701         0.0000         0.0000     41425.1769        -222391.5262       150.6934   -263816.7031   -222348.0703       150.6934          -3235.8098     -2296.7688    921491.4634     -3235.8098     -2296.7688

LDB: ============= START OF LOAD BALANCING ============== 54.4329
LDB: Largest compute 200 load 0.429179 is 1.2% of average load 36.834164
LDB: Average compute 0.051599 is 0.1% of average load 36.834164
LDB: Partitioning computes with target load 3.683416
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055222
LDB: ============== END OF LOAD BALANCING =============== 54.4352
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.436
Info: Initial time: 4 CPUs 0.475487 s/step 5.50332 days/ns 3221.59 MB memory
TIMING: 100  CPU: 48.5214, 0.474336/step  Wall: 48.5214, 0.474336/step, 0.052704 hours remaining, 3221.593750 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     100     23587.3020     20475.3729      5773.0376       205.1509        -335896.4622     22125.7987         0.0000         0.0000     41455.8050        -222273.9951       150.8048   -263729.8001   -222326.1726       150.8048          -2788.3920     -2294.3880    921491.4634     -2788.3920     -2294.3880

ENERGY:     101     22287.3000     18933.8501      5770.3900       197.5201        -335238.2411     22065.3980         0.0000         0.0000     43590.2955        -222393.4875       158.5695   -265983.7830   -222319.4707       158.5695          -1880.2674     -2262.6846    921491.4634     -1880.2674     -2262.6846

ENERGY:     102     19420.3335     17951.6560      5762.8059       188.8891        -334088.2232     21980.7895         0.0000         0.0000     46153.7217        -222630.0274       167.8946   -268783.7492   -222317.3982       167.8946           -924.5795     -2215.2271    921491.4634      -924.5795     -2215.2271

ENERGY:     103     18429.6588     17794.2509      5753.5002       180.0834        -332765.4443     21898.9792         0.0000         0.0000     46061.5884        -222647.3834       167.5594   -268708.9718   -222315.0115       167.5594           -521.9323     -2162.1475    921491.4634      -521.9323     -2162.1475

ENERGY:     104     20135.5161     18313.1190      5745.4365       171.9705        -331716.6190     21838.6802         0.0000         0.0000     43114.8219        -222397.0748       156.8399   -265511.8967   -222300.0343       156.8399           -904.7452     -2132.5693    921491.4634      -904.7452     -2132.5693

ENERGY:     105     21674.8146     19112.5118      5740.5773       165.3638        -331353.5902     21791.8563         0.0000         0.0000     40663.3131        -222205.1534       147.9220   -262868.4664   -222297.2862       147.9220          -1781.0301     -2140.0925    921491.4634     -1781.0301     -2140.0925

ENERGY:     106     20688.3525     19760.1602      5739.0355       160.9482        -331684.6910     21743.4748         0.0000         0.0000     41270.8908        -222321.8289       150.1322   -263592.7197   -222299.8103       150.1322          -2687.8654     -2192.8737    921491.4634     -2687.8654     -2192.8737

ENERGY:     107     18828.1851     20041.3659      5739.7936       159.1631        -332486.5659     21693.8616         0.0000         0.0000     43452.4230        -222571.7736       158.0680   -266024.1966   -222302.3924       158.0680          -3435.4055     -2264.9714    921491.4634     -3435.4055     -2264.9714

ENERGY:     108     19374.7527     19955.6335      5740.9974       160.1493        -333435.9262     21654.4582         0.0000         0.0000     43952.1728        -222597.7625       159.8859   -266549.9353   -222305.0564       159.8859          -3989.5484     -2325.7046    921491.4634     -3989.5484     -2325.7046

ENERGY:     109     22394.0521     19651.8555      5740.7059       163.7566        -334323.6678     21623.9119         0.0000         0.0000     42380.9037        -222368.4819       154.1701   -264749.3857   -222289.2482       154.1701          -4162.2878     -2354.5142    921491.4634     -4162.2878     -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     24310.7313     19315.3192      5736.8740       169.5643        -334907.1601     21583.6716         0.0000         0.0000     41568.0398        -222222.9599       151.2131   -263790.9997   -222288.3777       151.2131          -3608.1963     -2356.1915    921491.4634     -3608.1963     -2356.1915

ENERGY:     111     22660.5937     19186.3868      5728.6091       176.9885        -335028.8261     21518.8536         0.0000         0.0000     43385.4035        -222371.9910       157.8242   -265757.3945   -222286.8996       157.8242          -2331.3778     -2338.2312    921491.4634     -2331.3778     -2338.2312

ENERGY:     112     19381.8200     19463.5170      5716.4074       185.3624        -334677.6375     21440.9489         0.0000         0.0000     45860.8185        -222628.7633       166.8291   -268489.5818   -222302.4567       166.8291           -894.2293     -2309.1964    921491.4634      -894.2293     -2309.1964

ENERGY:     113     18216.1581     20180.8084      5702.4491       194.0323        -334046.4826     21376.2231         0.0000         0.0000     45761.5816        -222615.2299       166.4681   -268376.8115   -222273.7400       166.4681            -55.6425     -2273.8625    921491.4634       -55.6425     -2273.8625

ENERGY:     114     19843.9971     21062.4096      5689.3793       202.2945        -333472.4289     21337.7637         0.0000         0.0000     42964.6872        -222371.8976       156.2937   -265336.5848   -222272.2451       156.2937           -128.5963     -2261.6571    921491.4634      -128.5963     -2261.6571

ENERGY:     115     21448.4484     21679.6563      5680.2429       209.5308        -333239.9680     21316.4507         0.0000         0.0000     40710.1057        -222195.5331       148.0922   -262905.6388   -222272.7006       148.0922           -905.3247     -2296.5621    921491.4634      -905.3247     -2296.5621

ENERGY:     116     20838.2582     21694.4198      5677.2615       215.2237        -333429.0370     21301.4963         0.0000         0.0000     41385.0932        -222317.2844       150.5476   -263702.3775   -222276.5258       150.5476          -2000.5239     -2380.1424    921491.4634     -2000.5239     -2380.1424

ENERGY:     117     19309.7303     21105.1713      5681.4214       219.0426        -333858.2256     21295.0741         0.0000         0.0000     43733.0003        -222514.7855       159.0886   -266247.7858   -222254.7026       159.0886          -3196.9893     -2479.5444    921491.4634     -3196.9893     -2479.5444

ENERGY:     118     19488.7485     20180.1713      5691.5867       220.7069        -334305.8420     21303.6950         0.0000         0.0000     44852.5145        -222568.4191       163.1611   -267420.9336   -222257.5958       163.1611          -4287.8519     -2560.8627    921491.4634     -4287.8519     -2560.8627

ENERGY:     119     21608.8170     19327.4370      5705.7183       220.1523        -334582.5769     21318.6506         0.0000         0.0000     43971.5398        -222430.2618       159.9564   -266401.8016   -222258.7220       159.9564          -4948.0952     -2603.4636    921491.4634     -4948.0952     -2603.4636

LDB: ============= START OF LOAD BALANCING ============== 63.905
LDB: ============== END OF LOAD BALANCING =============== 63.9051
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9056
TIMING: 120  CPU: 57.9903, 0.473442/step  Wall: 57.9903, 0.473442/step, 0.0499744 hours remaining, 3221.769531 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     120     23278.7483     18843.5009      5721.1112       217.5091        -334559.3219     21317.8986         0.0000         0.0000     42838.0030        -222342.5509       155.8329   -265180.5539   -222260.9692       155.8329          -4802.3839     -2609.8233    921491.4634     -4802.3839     -2609.8233

ENERGY:     121     22753.8286     18833.9840      5735.1155       213.1885        -334109.3885     21287.1663         0.0000         0.0000     42902.9082        -222383.1975       156.0690   -265286.1057   -222238.8454       156.0690          -3789.7329     -2573.0323    921491.4634     -3789.7329     -2573.0323

ENERGY:     122     20911.3204     19183.7910      5744.9150       207.6394        -333246.0908     21235.0875         0.0000         0.0000     43471.2678        -222492.0697       158.1365   -265963.3375   -222236.2047       158.1365          -2259.2350     -2503.9465    921491.4634     -2259.2350     -2503.9465

ENERGY:     123     19716.6565     19702.2260      5748.9495       201.5075        -332195.6662     21181.3172         0.0000         0.0000     43159.1486        -222485.8609       157.0011   -265645.0095   -222233.3015       157.0011           -827.7757     -2423.1751    921491.4634      -827.7757     -2423.1751

ENERGY:     124     19701.7329     20151.8501      5747.1965       195.4812        -331340.9821     21138.0467         0.0000         0.0000     42008.6529        -222398.0218       152.8159   -264406.6747   -222234.8509       152.8159              8.3516     -2371.2952    921491.4634         8.3516     -2371.2952

ENERGY:     125     19961.8489     20319.7041      5741.5018       190.2907        -331002.3873     21106.9631         0.0000         0.0000     41347.6160        -222334.4628       150.4113   -263682.0788   -222218.5352       150.4113             16.1240     -2370.5229    921491.4634        16.1240     -2370.5229

ENERGY:     126     19913.8781     20060.3739      5734.4100       186.3237        -331257.3385     21089.4917         0.0000         0.0000     41888.6055        -222384.2556       152.3792   -264272.8612   -222220.0404       152.3792           -757.3346     -2430.8872    921491.4634      -757.3346     -2430.8872

ENERGY:     127     20034.1248     19457.5518      5728.8730       183.8512        -331985.2680     21088.4979         0.0000         0.0000     43047.2720        -222445.0973       156.5941   -265492.3693   -222223.2518       156.5941          -2122.5054     -2533.3235    921491.4634     -2122.5054     -2533.3235

ENERGY:     128     20681.9269     18818.3078      5727.0308       182.9174        -332977.2828     21101.0436         0.0000         0.0000     44006.3125        -222459.7438       160.0829   -266466.0563   -222232.5708       160.0829          -3698.9566     -2655.1908    921491.4634     -3698.9566     -2655.1908

ENERGY:     129     21368.2886     18554.7976      5729.8505       183.4688        -333997.8251     21115.0501         0.0000         0.0000     44607.0893        -222439.2802       162.2683   -267046.3695   -222215.2566       162.2683          -4993.9821     -2763.9222    921491.4634     -4993.9821     -2763.9222

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

ENERGY:     130     21553.6088     18898.7761      5736.4508       185.0194        -334776.0138     21118.0422         0.0000         0.0000     44811.1497        -222472.9667       163.0106   -267284.1164   -222216.5365       163.0106          -5536.0555     -2842.3154    921491.4634     -5536.0555     -2842.3154

ENERGY:     131     21530.9956     19804.6628      5745.0872       187.0957        -335083.2644     21105.7069         0.0000         0.0000     44221.5103        -222488.2060       160.8657   -266709.7162   -222215.1805       160.8657          -5164.7863     -2872.9597    921491.4634     -5164.7863     -2872.9597

ENERGY:     132     21696.5183     20951.9798      5753.4447       189.2233        -334841.7368     21081.3851         0.0000         0.0000     42732.1267        -222437.0590       155.4477   -265169.1856   -222222.8146       155.4477          -4015.6410     -2856.5554    921491.4634     -4015.6410     -2856.5554

ENERGY:     133     21569.7010     21939.4306      5759.4053       191.1377        -334187.7138     21049.8506         0.0000         0.0000     41346.5716        -222331.6171       150.4075   -263678.1887   -222209.0242       150.4075          -2436.6193     -2806.2333    921491.4634     -2436.6193     -2806.2333

ENERGY:     134     20380.1718     22407.7422      5761.0449       192.4922        -333420.8525     21018.0949         0.0000         0.0000     41320.1609        -222341.1454       150.3114   -263661.3064   -222206.0447       150.3114           -846.9780     -2759.4268    921491.4634      -846.9780     -2759.4268

ENERGY:     135     18735.1492     22221.9401      5757.7067       193.2251        -332860.3440     20999.0422         0.0000         0.0000     42497.1277        -222456.1530       154.5929   -264953.2806   -222204.4869       154.5929            191.9083     -2745.1432    921491.4634       191.9083     -2745.1432

ENERGY:     136     18381.4539     21453.0792      5750.0867       193.4037        -332655.7488     21006.3295         0.0000         0.0000     43348.3540        -222523.0418       157.6894   -265871.3959   -222211.0694       157.6894            198.1850     -2776.3543    921491.4634       198.1850     -2776.3543

ENERGY:     137     19975.5716     20347.8314      5740.3098       193.2572        -332832.5919     21040.1067         0.0000         0.0000     43092.4469        -222443.0684       156.7585   -265535.5153   -222209.8938       156.7585           -927.2503     -2841.0685    921491.4634      -927.2503     -2841.0685

ENERGY:     138     21874.8525     19195.4802      5730.8549       192.8766        -333203.4344     21083.5324         0.0000         0.0000     42784.9639        -222340.8739       155.6399   -265125.8378   -222213.1816       155.6399          -2704.7055     -2927.3525    921491.4634     -2704.7055     -2927.3525

ENERGY:     139     22116.0296     18330.1124      5724.2506       192.4679        -333575.3363     21115.6333         0.0000         0.0000     43705.6789        -222391.1636       158.9892   -266096.8425   -222217.3489       158.9892          -4443.4108     -3015.1529    921491.4634     -4443.4108     -3015.1529

TIMING: 140  CPU: 67.4511, 0.473042/step  Wall: 67.4511, 0.473042/step, 0.0473042 hours remaining, 3221.917969 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     140     20992.5977     17997.1577      5722.1741       192.2140        -333726.9440     21127.4061         0.0000         0.0000     45144.2513        -222551.1431       164.2224   -267695.3945   -222224.0360       164.2224          -5617.7627     -3080.3638    921491.4634     -5617.7627     -3080.3638

ENERGY:     141     20605.2148     18251.9194      5725.3083       192.2642        -333525.1322     21120.3060         0.0000         0.0000     45039.8864        -222590.2330       163.8427   -267630.1194   -222215.3918       163.8427          -6017.5038     -3087.0005    921491.4634     -6017.5038     -3087.0005

ENERGY:     142     21702.7400     18860.4297      5732.9228       192.6003        -332879.0278     21093.2714         0.0000         0.0000     42868.0674        -222428.9961       155.9422   -265297.0635   -222213.3919       155.9422          -5532.0376     -3029.5546    921491.4634     -5532.0376     -3029.5546

ENERGY:     143     22457.6180     19468.7635      5743.5741       193.1827        -331957.5930     21040.0377         0.0000         0.0000     40797.9948        -222256.4222       148.4119   -263054.4170   -222209.6222       148.4119          -4179.8277     -2928.5087    921491.4634     -4179.8277     -2928.5087

ENERGY:     144     21007.3340     19787.0057      5755.2166       193.9151        -331097.8394     20965.2215         0.0000         0.0000     41087.3102        -222301.8364       149.4643   -263389.1466   -222194.0940       149.4643          -2265.2408     -2825.3503    921491.4634     -2265.2408     -2825.3503

ENERGY:     145     18390.7600     19760.7602      5765.7577       194.6436        -330692.1920     20892.9233         0.0000         0.0000     43191.0819        -222496.2654       157.1173   -265687.3473   -222180.9591       157.1173           -495.5029     -2742.5238    921491.4634      -495.5029     -2742.5238

ENERGY:     146     17494.3905     19517.0964      5773.0763       195.1975        -330883.4473     20850.7304         0.0000         0.0000     44468.0627        -222584.8935       161.7626   -267052.9562   -222180.0851       161.7626            380.5832     -2698.3695    921491.4634       380.5832     -2698.3695

ENERGY:     147     19349.0815     19284.4052      5776.1299       195.3841        -331633.2790     20843.7952         0.0000         0.0000     43729.9298        -222454.5533       159.0775   -266184.4831   -222180.7854       159.0775             12.4495     -2697.6200    921491.4634        12.4495     -2697.6200

ENERGY:     148     21731.1609     19240.1452      5775.1361       195.0156        -332748.3460     20852.0477         0.0000         0.0000     42647.1434        -222307.6971       155.1386   -264954.8404   -222173.9041       155.1386          -1313.5162     -2742.2255    921491.4634     -1313.5162     -2742.2255

ENERGY:     149     22154.0982     19476.6233      5771.6403       193.9272        -333952.9657     20853.5363         0.0000         0.0000     43165.2620        -222337.8783       157.0234   -265503.1404   -222149.8011       157.0234          -2998.4812     -2814.2282    921491.4634     -2998.4812     -2814.2282

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

ENERGY:     150     21015.8993     19956.3836      5767.3089       192.0924        -334899.3755     20845.5771         0.0000         0.0000     44606.5898        -222515.5244       162.2665   -267122.1143   -222153.2666       162.2665          -4472.9374     -2881.9211    921491.4634     -4472.9374     -2881.9211

ENERGY:     151     20656.1100     20586.9277      5763.7530       189.5631        -335303.4339     20835.7246         0.0000         0.0000     44710.6379        -222560.7175       162.6450   -267271.3555   -222155.1379       162.6450          -5407.8407     -2907.6331    921491.4634     -5407.8407     -2907.6331

ENERGY:     152     21757.0224     21203.4204      5761.8055       186.4838        -335072.1090     20820.7500         0.0000         0.0000     42914.6705        -222427.9564       156.1118   -265342.6269   -222175.0515       156.1118          -5552.0272     -2878.0876    921491.4634     -5552.0272     -2878.0876

ENERGY:     153     22396.4538     21618.6023      5761.5688       183.0547        -334307.6861     20787.1624         0.0000         0.0000     41296.2810        -222264.5632       150.2245   -263560.8442   -222152.0204       150.2245          -4765.4777     -2800.4121    921491.4634     -4765.4777     -2800.4121

ENERGY:     154     20952.1344     21640.3347      5761.9240       179.5647        -333344.9136     20735.3658         0.0000         0.0000     41746.1292        -222329.4608       151.8609   -264075.5900   -222148.7915       151.8609          -3178.1875     -2707.3606    921491.4634     -3178.1875     -2707.3606

ENERGY:     155     18734.5491     21249.5941      5761.4993       176.3183        -332564.0956     20691.4723         0.0000         0.0000     43448.4574        -222502.2051       158.0535   -265950.6626   -222145.9854       158.0535          -1408.3064     -2623.9032    921491.4634     -1408.3064     -2623.9032

ENERGY:     156     18312.4483     20599.9074      5758.8570       173.6450        -332218.9146     20684.3829         0.0000         0.0000     44137.5522        -222552.1219       160.5603   -266689.6741   -222166.8048       160.5603           -219.5096     -2571.5313    921491.4634      -219.5096     -2571.5313

ENERGY:     157     20043.0837     19943.2665      5753.0947       171.8900        -332363.0658     20715.7864         0.0000         0.0000     43325.6933        -222410.2511       157.6070   -265735.9444   -222155.5010       157.6070            -38.8543     -2554.7665    921491.4634       -38.8543     -2554.7665

ENERGY:     158     21695.0846     19425.3238      5743.5667       171.3409        -332829.8101     20761.5805         0.0000         0.0000     42713.6820        -222319.2316       155.3806   -265032.9136   -222157.3221       155.3806           -715.5935     -2586.7969    921491.4634      -715.5935     -2586.7969

ENERGY:     159     21695.6536     19084.6408      5730.9315       172.1899        -333376.4005     20800.7929         0.0000         0.0000     43483.6005        -222408.5913       158.1814   -265892.1918   -222160.0970       158.1814          -1882.1013     -2660.7875    921491.4634     -1882.1013     -2660.7875

TIMING: 160  CPU: 76.9011, 0.4725/step  Wall: 76.9011, 0.4725/step, 0.044625 hours remaining, 3222.199219 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     21093.2843     18859.3045      5717.0749       174.4916        -333735.9155     20833.5471         0.0000         0.0000     44515.8597        -222542.3534       161.9365   -267058.2131   -222175.6788       161.9365          -3202.8705     -2752.7604    921491.4634     -3202.8705     -2752.7604

ENERGY:     161     21561.6002     18685.5959      5704.9782       178.2042        -333710.7597     20865.7132         0.0000         0.0000     44220.7113        -222493.9568       160.8628   -266714.6682   -222160.9740       160.8628          -4385.1102     -2823.4851    921491.4634     -4385.1102     -2823.4851

ENERGY:     162     22512.8125     18508.1492      5697.2826       183.0024        -333202.6497     20887.8856         0.0000         0.0000     43070.6067        -222342.9106       156.6790   -265413.5173   -222161.4908       156.6790          -5004.1554     -2859.8871    921491.4634     -5004.1554     -2859.8871

ENERGY:     163     21937.9852     18346.8656      5696.1509       188.4544        -332368.8225     20884.6195         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     19652.8065     18261.0400      5702.5306       194.0206        -331567.4470     20861.9109         0.0000         0.0000     44426.5344        -222468.6040       161.6115   -266895.1384   -222170.9035       161.6115          -3836.1732     -2870.4449    921491.4634     -3836.1732     -2870.4449

ENERGY:     165     18074.0951     18343.8151      5716.1638       199.2019        -331183.0466     20849.6742         0.0000         0.0000     45425.8564        -222574.2402       165.2468   -268000.0966   -222153.1699       165.2468          -2737.5185     -2867.1446    921491.4634     -2737.5185     -2867.1446

ENERGY:     166     18979.7069     18650.1655      5734.9735       203.3281        -331407.1003     20870.8939         0.0000         0.0000     44483.6889        -222484.3436       161.8194   -266968.0325   -222151.2328       161.8194          -1964.3635     -2870.3839    921491.4634     -1964.3635     -2870.3839

ENERGY:     167     21026.8306     19216.2868      5755.9248       205.8794        -332212.1862     20917.6388         0.0000         0.0000     42775.8062        -222313.8197       155.6066   -265089.6258   -222150.5299       155.6066          -1671.2498     -2889.5868    921491.4634     -1671.2498     -2889.5868

ENERGY:     168     21619.4181     19999.6890      5775.3367       206.4584        -333382.4926     20963.4338         0.0000         0.0000     42492.3350        -222325.8217       154.5754   -264818.1567   -222149.7708       154.5754          -1735.9904     -2933.5976    921491.4634     -1735.9904     -2933.5976

ENERGY:     169     20648.4664     20870.4070      5789.9166       204.9287        -334596.5070     20994.5723         0.0000         0.0000     43600.1910        -222488.0251       158.6055   -266088.2162   -222133.5315       158.6055          -2095.8776     -2988.7947    921491.4634     -2095.8776     -2988.7947

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

ENERGY:     170     20485.0013     21574.3801      5797.0542       201.1981        -335480.2501     21017.8094         0.0000         0.0000     43834.2689        -222570.5382       159.4570   -266404.8071   -222135.2420       159.4570          -2696.1967     -3030.4960    921491.4634     -2696.1967     -3030.4960

ENERGY:     171     22225.3641     21884.1727      5796.1347       195.5169        -335757.0015     21036.7488         0.0000         0.0000     42205.8539        -222413.2104       153.5333   -264619.0643   -222135.5892       153.5333          -3373.1625     -3035.3578    921491.4634     -3373.1625     -3035.3578

ENERGY:     172     23612.5241     21689.2905      5788.4217       188.3823        -335345.7508     21036.2039         0.0000         0.0000     40787.7256        -222243.2027       148.3745   -263030.9284   -222132.3044       148.3745          -3754.4379     -3004.4813    921491.4634     -3754.4379     -3004.4813

ENERGY:     173     22089.5492     21081.4672      5776.7002       180.5475        -334414.6778     21003.0505         0.0000         0.0000     41986.3985        -222296.9648       152.7350   -264283.3633   -222121.1462       152.7350          -3608.5986     -2944.3814    921491.4634     -3608.5986     -2944.3814

ENERGY:     174     18699.8472     20250.6917      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     19455.5736      5752.1494       165.6559        -332464.6996     20928.3117         0.0000         0.0000     46291.0144        -222652.0571       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        -332124.2128     20943.2095         0.0000         0.0000     44722.5119        -222468.0278       162.6882   -267190.5398   -222127.3370       162.6882          -2658.3221     -2727.5044    921491.4634     -2658.3221     -2727.5044

ENERGY:     177     21863.3195     18664.1735      5738.9484       156.2659        -332371.2411     20981.6518         0.0000         0.0000     42714.2624        -222252.6196       155.3827   -264966.8820   -222125.5137       155.3827          -2870.6846     -2681.8089    921491.4634     -2870.6846     -2681.8089

ENERGY:     178     21917.7899     18733.9558      5737.6245       154.5770        -332975.2975     21015.2132         0.0000         0.0000     43101.1544        -222314.9825       156.7902   -265416.1369   -222126.1322       156.7902          -2936.2256     -2665.7683    921491.4634     -2936.2256     -2665.7683

ENERGY:     179     20058.5719     19018.0839      5738.2698       154.9022        -333648.1817     21038.3003         0.0000         0.0000     45070.9164        -222569.1373       163.9556   -267640.0537   -222127.1794       163.9556          -2805.2707     -2668.3444    921491.4634     -2805.2707     -2668.3444

TIMING: 180  CPU: 86.3407, 0.471978/step  Wall: 86.3407, 0.471978/step, 0.0419536 hours remaining, 3222.199219 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     45324.2214        -222643.9212       164.8771   -267968.1426   -222142.6344       164.8771          -2684.8629     -2671.3561    921491.4634     -2684.8629     -2671.3561

ENERGY:     181     22122.8094     19693.8082      5737.3498       160.4696        -334134.1966     21097.1422         0.0000         0.0000     42906.0429        -222416.5745       156.0804   -265322.6175   -222134.4681       156.0804          -2655.0378     -2656.7563    921491.4634     -2655.0378     -2656.7563

ENERGY:     182     23922.3457     19800.0772      5732.0748       164.8150        -333691.2982     21109.5293         0.0000         0.0000     40770.0179        -222192.4384       148.3101   -262962.4563   -222132.7634       148.3101          -2461.5986     -2635.7203    921491.4634     -2461.5986     -2635.7203

ENERGY:     183     22149.3487     19677.1533      5722.7616       169.5349        -332921.8736     21084.4911         0.0000         0.0000     41834.8234        -222283.7607       152.1836   -264118.5841   -222131.2590       152.1836          -1990.8046     -2626.5158    921491.4634     -1990.8046     -2626.5158

ENERGY:     184     18376.8755     19424.9915      5710.5469       174.1844        -332181.9083     21042.4479         0.0000         0.0000     44880.5528        -222572.3093       163.2631   -267452.8621   -222144.6144       163.2631          -1576.6176     -2645.2274    921491.4634     -1576.6176     -2645.2274

ENERGY:     185     16957.7744     19234.6873      5697.7241       178.4155        -331895.6964     21023.9443         0.0000         0.0000     46149.4988        -222653.6520       167.8792   -268803.1509   -222128.1658       167.8792          -1752.9883     -2679.2077    921491.4634     -1752.9883     -2679.2077

ENERGY:     186     19266.0406     19234.9571      5686.4352       181.9571        -332240.0940     21043.7459         0.0000         0.0000     44391.5887        -222435.3694       161.4844   -266826.9581   -222129.2890       161.4844          -2596.4733     -2731.4263    921491.4634     -2596.4733     -2731.4263

ENERGY:     187     22073.2968     19471.4303      5678.7398       184.6336        -333156.1129     21076.9264         0.0000         0.0000     42449.0056        -222222.0803       154.4178   -264671.0859   -222130.9082       154.4178          -3641.8536     -2802.0867    921491.4634     -3641.8536     -2802.0867

ENERGY:     188     22101.1830     19886.6773      5676.0120       186.3502        -334382.7610     21093.9044         0.0000         0.0000     43113.1616        -222325.4726       156.8338   -265438.6342   -222135.3908       156.8338          -4316.2655     -2887.0591    921491.4634     -4316.2655     -2887.0591

ENERGY:     189     20394.2461     20391.8602      5678.8863       187.1154        -335558.5039     21096.5840         0.0000         0.0000     45245.6388        -222564.1731       164.5912   -267809.8119   -222116.4323       164.5912          -4451.6370     -2950.0786    921491.4634     -4451.6370     -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     20342.0725     20848.4448      5686.3598       187.0164        -336318.7430     21106.5487         0.0000         0.0000     45533.2634        -222615.0374       165.6375   -268148.3008   -222116.1590       165.6375          -4141.9210     -2962.8209    921491.4634     -4141.9210     -2962.8209

ENERGY:     191     22534.8506     21157.2826      5696.5257       186.2614        -336419.5248     21124.8644         0.0000         0.0000     43330.7335        -222389.0066       157.6253   -265719.7402   -222114.1140       157.6253          -3471.5977     -2915.5481    921491.4634     -3471.5977     -2915.5481

ENERGY:     192     23768.4831     21244.3748      5706.8010       185.1520        -335814.4790     21125.1403         0.0000         0.0000     41560.2536        -222224.2742       151.1848   -263784.5278   -222108.6419       151.1848          -2412.4656     -2830.7903    921491.4634     -2412.4656     -2830.7903

ENERGY:     193     21710.8595     21097.1073      5714.9848       184.0569        -334711.3257     21092.9042         0.0000         0.0000     42578.8348        -222332.5783       154.8901   -264911.4131   -222093.8904       154.8901          -1181.4695     -2735.1547    921491.4634     -1181.4695     -2735.1547

ENERGY:     194     18383.3648     20711.5282      5719.3482       183.2863        -333492.4631     21054.1039         0.0000         0.0000     44867.8136        -222573.0180       163.2168   -267440.8316   -222092.1689       163.2168           -314.8316     -2651.4483    921491.4634      -314.8316     -2651.4483

ENERGY:     195     17581.7011     20169.9816      5719.7968       183.0839        -332603.8308     21048.2209         0.0000         0.0000     45307.7485        -222593.2981       164.8171   -267901.0466   -222091.6062       164.8171           -398.0878     -2592.7757    921491.4634      -398.0878     -2592.7757

ENERGY:     196     19755.8662     19594.9320      5717.4229       183.5644        -332319.6951     21082.8578         0.0000         0.0000     43603.6154        -222381.4363       158.6180   -265985.0518   -222096.3129       158.6180          -1480.5940     -2574.8092    921491.4634     -1480.5940     -2574.8092

ENERGY:     197     21700.3671     19122.7580      5714.1451       184.7200        -332668.2732     21129.4587         0.0000         0.0000     42574.3654        -222242.4589       154.8738   -264816.8243   -222086.7182       154.8738          -3040.7437     -2596.5495    921491.4634     -3040.7437     -2596.5495

ENERGY:     198     21224.0060     18800.3005      5711.3574       186.3640        -333385.4998     21161.1533         0.0000         0.0000     43911.2864        -222391.0323       159.7372   -266302.3186   -222090.4394       159.7372          -4381.6809     -2646.7680    921491.4634     -4381.6809     -2646.7680

ENERGY:     199     20113.4047     18634.4040      5710.3429       188.2374        -334151.8588     21182.1776         0.0000         0.0000     45722.9589        -222600.3332       166.3276   -268323.2922   -222093.2753       166.3276          -5152.2285     -2691.5412    921491.4634     -5152.2285     -2691.5412

LDB: ============= START OF LOAD BALANCING ============== 101.696
LDB: Largest compute 200 load 0.423992 is 1.2% of average load 36.646338
LDB: Average compute 0.051332 is 0.1% of average load 36.646338
LDB: TIME 101.698 LOAD: AVG 36.6463 MAX 37.7904  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.58 MB
LDB: TIME 101.7 LOAD: AVG 36.6463 MAX 37.6628  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.58 MB
LDB: ============== END OF LOAD BALANCING =============== 101.702
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.705
Info: Initial time: 4 CPUs 0.472585 s/step 5.46974 days/ns 3223.61 MB memory
TIMING: 200  CPU: 95.7899, 0.472462/step  Wall: 95.7899, 0.472462/step, 0.0393719 hours remaining, 3223.609375 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     21073.6836     18595.6349      5711.8747       190.0258        -334670.2811     21209.9247         0.0000         0.0000     45319.1601        -222569.9773       164.8586   -267889.1374   -222114.5246       164.8586          -5241.8526     -2703.6813    921491.4634     -5241.8526     -2703.6813

ENERGY:     201     23380.1030     18674.3333      5716.2802       191.4189        -334751.7131     21239.1340         0.0000         0.0000     43222.4694        -222327.9744       157.2315   -265550.4438   -222100.1080       157.2315          -4546.2005     -2661.1901    921491.4634     -4546.2005     -2661.1901

ENERGY:     202     23622.8117     18850.8450      5722.5980       192.1474        -334305.3007     21243.2751         0.0000         0.0000     42432.5587        -222241.0648       154.3580   -264673.6235   -222096.8292       154.3580          -3005.0519     -2588.0014    921491.4634     -3005.0519     -2588.0014

ENERGY:     203     20743.8945     19130.0390      5729.2400       192.0764        -333501.9373     21215.8253         0.0000         0.0000     44059.6986        -222431.1635       160.2771   -266490.8621   -222093.6428       160.2771          -1046.8258     -2512.4435    921491.4634     -1046.8258     -2512.4435

ENERGY:     204     17862.6123     19486.9556      5734.1463       191.2124        -332722.2199     21188.8402         0.0000         0.0000     45629.4719        -222628.9810       165.9875   -268258.4530   -222116.7003       165.9875            452.9933     -2462.2929    921491.4634       452.9933     -2462.2929

ENERGY:     205     18189.0790     19868.9414      5735.7153       189.6741        -332398.2550     21197.9185         0.0000         0.0000     44690.7149        -222526.2118       162.5725   -267216.9267   -222099.8062       162.5725            731.8535     -2447.6353    921491.4634       731.8535     -2447.6353

ENERGY:     206     20668.8902     20170.9986      5732.9811       187.6404        -332716.3434     21241.8390         0.0000         0.0000     42439.0584        -222274.9358       154.3816   -264713.9941   -222100.3398       154.3816           -230.6569     -2488.2937    921491.4634      -230.6569     -2488.2937

ENERGY:     207     21693.8032     20338.2890      5726.5434       185.3060        -333603.9791     21289.9001         0.0000         0.0000     42143.6913        -222226.4460       153.3072   -264370.1373   -222103.0933       153.3072          -1896.3478     -2585.9683    921491.4634     -1896.3478     -2585.9683

ENERGY:     208     20293.2703     20371.8903      5718.1572       182.8654        -334789.2377     21322.2409         0.0000         0.0000     44428.6270        -222472.1866       161.6191   -266900.8135   -222122.6315       161.6191          -3669.0643     -2719.7952    921491.4634     -3669.0643     -2719.7952

ENERGY:     209     19428.8170     20325.0059      5710.3389       180.5135        -335910.2412     21349.5044         0.0000         0.0000     46273.6801        -222642.3816       168.3309   -268916.0616   -222106.7901       168.3309          -5197.7274     -2836.6306    921491.4634     -5197.7274     -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        -336615.7767     21385.1095         0.0000         0.0000     45251.4334        -222516.0282       164.6123   -267767.4615   -222108.2016       164.6123          -6091.3663     -2896.2627    921491.4634     -6091.3663     -2896.2627

ENERGY:     211     24099.1928     19985.8632      5704.9373       176.9105        -336667.8926     21415.1477         0.0000         0.0000     43031.7283        -222254.1128       156.5376   -265285.8412   -222106.8541       156.5376          -5900.2977     -2885.1010    921491.4634     -5900.2977     -2885.1010

ENERGY:     212     23739.2709     19730.8223      5710.0295       176.0352        -336013.6224     21412.5983         0.0000         0.0000     42995.1637        -222249.7026       156.4046   -265244.8662   -222104.2318       156.4046          -4424.1002     -2820.3210    921491.4634     -4424.1002     -2820.3210

ENERGY:     213     20150.2160     19524.5249      5720.1722       175.9508        -334874.6441     21380.5551         0.0000         0.0000     45418.7805        -222504.4446       165.2210   -267923.2251   -222097.3834       165.2210          -2174.3117     -2725.0841    921491.4634     -2174.3117     -2725.0841

ENERGY:     214     17315.5528     19421.7448      5733.3059       176.6827        -333645.3934     21358.4485         0.0000         0.0000     46958.4702        -222681.1884       170.8220   -269639.6586   -222093.7407       170.8220           -143.6685     -2626.0578    921491.4634      -143.6685     -2626.0578

ENERGY:     215     18210.5055     19441.9743      5746.5772       178.1492        -332787.3320     21379.5596         0.0000         0.0000     45302.6745        -222527.8916       164.7987   -267830.5661   -222091.0447       164.7987            784.0015     -2554.0368    921491.4634       784.0015     -2554.0368

ENERGY:     216     20973.4717     19522.5061      5756.9571       180.1770        -332560.1061     21436.4836         0.0000         0.0000     42442.1787        -222248.3319       154.3930   -264690.5106   -222073.6157       154.3930            420.9901     -2541.5428    921491.4634       420.9901     -2541.5428

ENERGY:     217     21778.3867     19581.4819      5762.2416       182.5517        -333010.6758     21497.2705         0.0000         0.0000     41983.6750        -222225.0683       152.7251   -264208.7433   -222064.4465       152.7251           -882.1700     -2598.7244    921491.4634      -882.1700     -2598.7244

ENERGY:     218     20165.9157     19540.0890      5761.2415       184.9927        -333856.1147     21546.6561         0.0000         0.0000     44178.6836        -222478.5361       160.7099   -266657.2197   -222068.8156       160.7099          -2628.0653     -2703.9747    921491.4634     -2628.0653     -2703.9747

ENERGY:     219     19429.8640     19413.3931      5754.3577       187.2447        -334778.0708     21596.8808         0.0000         0.0000     45751.9297        -222644.4008       166.4329   -268396.3305   -222073.1721       166.4329          -4457.7333     -2810.5237    921491.4634     -4457.7333     -2810.5237

TIMING: 220  CPU: 105.25, 0.473006/step  Wall: 105.25, 0.473006/step, 0.0367893 hours remaining, 3223.609375 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     19260.1136      5743.1672       189.1021        -335473.8430     21655.3184         0.0000         0.0000     44539.5738        -222505.6536       162.0227   -267045.2274   -222092.6289       162.0227          -5898.3511     -2876.6576    921491.4634     -5898.3511     -2876.6576

ENERGY:     221     24234.7392     19146.8278      5730.1601       190.4777        -335718.7274     21699.4244         0.0000         0.0000     42467.0188        -222250.0793       154.4833   -264717.0981   -222077.7835       154.4833          -6342.7097     -2884.3552    921491.4634     -6342.7097     -2884.3552

ENERGY:     222     23735.1224     19085.7308      5717.7679       191.2893        -335388.9913     21700.3077         0.0000         0.0000     42702.0389        -222256.7343       155.3383   -264958.7732   -222075.6638       155.3383          -5368.7278     -2838.7016    921491.4634     -5368.7278     -2838.7016

ENERGY:     223     20286.4335     19110.8426      5708.3528       191.5578        -334633.3912     21665.5242         0.0000         0.0000     45168.7533        -222501.9270       164.3115   -267670.6803   -222072.2457       164.3115          -3322.8075     -2753.9474    921491.4634     -3322.8075     -2753.9474

ENERGY:     224     17721.9817     19276.3017      5703.4616       191.3517        -333831.1559     21637.4893         0.0000         0.0000     46650.8782        -222649.6917       169.7031   -269300.5699   -222098.2847       169.7031          -1151.0969     -2650.6854    921491.4634     -1151.0969     -2650.6854

ENERGY:     225     18451.5609     19639.7348      5703.5482       190.8347        -333424.4648     21647.4588         0.0000         0.0000     45301.5806        -222489.7469       164.7947   -267791.3275   -222079.9380       164.7947            226.2573     -2563.9720    921491.4634       226.2573     -2563.9720

ENERGY:     226     20569.7733     20147.6374      5707.2430       190.0457        -333606.5695     21686.9380         0.0000         0.0000     43034.1678        -222270.7644       156.5465   -265304.9322   -222078.6804       156.5465            530.9032     -2526.3323    921491.4634       530.9032     -2526.3323

ENERGY:     227     21011.1676     20670.4532      5712.3895       189.0770        -334317.7221     21728.2283         0.0000         0.0000     42721.7945        -222284.6120       155.4101   -265006.4065   -222080.2098       155.4101           -104.6490     -2553.6074    921491.4634      -104.6490     -2553.6074

ENERGY:     228     19866.2928     21035.8344      5716.6482       188.0081        -335312.4268     21761.2923         0.0000         0.0000     44242.5386        -222501.8123       160.9422   -266744.3510   -222102.7892       160.9422          -1440.0182     -2625.9673    921491.4634     -1440.0182     -2625.9673

ENERGY:     229     19874.0813     21137.5587      5718.5477       187.0043        -336264.4468     21796.8120         0.0000         0.0000     44976.5837        -222573.8591       163.6124   -267550.4428   -222086.0490       163.6124          -3234.4607     -2710.7215    921491.4634     -3234.4607     -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     21999.2456     20926.2538      5717.1889       185.9786        -336838.6564     21834.6450         0.0000         0.0000     43751.0551        -222424.2894       159.1543   -266175.3445   -222088.6909       159.1543          -4902.3779     -2766.0557    921491.4634     -4902.3779     -2766.0557

ENERGY:     231     23806.6618     20470.3273      5713.0793       184.9073        -336794.0751     21849.7233         0.0000         0.0000     42506.4014        -222262.9747       154.6266   -264769.3761   -222089.4822       154.6266          -5730.6841     -2773.7615    921491.4634     -5730.6841     -2773.7615

ENERGY:     232     22812.6530     19886.6601      5707.7133       183.7520        -336072.1014     21820.0135         0.0000         0.0000     43315.5693        -222345.7401       157.5701   -265661.3094   -222098.2754       157.5701          -5301.5936     -2731.4986    921491.4634     -5301.5936     -2731.4986

ENERGY:     233     20035.6403     19318.2043      5703.4910       182.6157        -334889.2830     21760.7376         0.0000         0.0000     45350.0988        -222538.4952       164.9712   -267888.5941   -222089.6821       164.9712          -3899.2116     -2646.7386    921491.4634     -3899.2116     -2646.7386

ENERGY:     234     18553.6066     18856.0076      5702.3325       181.3395        -333642.4872     21712.9298         0.0000         0.0000     46049.0873        -222587.1839       167.5139   -268636.2712   -222086.3329       167.5139          -2187.7193     -2534.9736    921491.4634     -2187.7193     -2534.9736

ENERGY:     235     19419.0966     18603.4161      5705.8180       179.9133        -332789.1749     21702.6096         0.0000         0.0000     44750.4957        -222427.8257       162.7900   -267178.3214   -222083.1203       162.7900           -820.1737     -2429.4349    921491.4634      -820.1737     -2429.4349

ENERGY:     236     20566.0778     18629.1000      5714.2865       178.3391        -332585.8848     21721.5012         0.0000         0.0000     43477.4012        -222299.1789       158.1588   -265776.5801   -222073.0121       158.1588           -108.6484     -2371.7044    921491.4634      -108.6484     -2371.7044

ENERGY:     237     20196.0057     18940.2031      5726.8243       176.7459        -333068.3186     21749.0156         0.0000         0.0000     43898.3779        -222381.1461       159.6902   -266279.5240   -222063.3607       159.6902           -172.1589     -2373.2012    921491.4634      -172.1589     -2373.2012

ENERGY:     238     19419.4411     19404.0884      5740.6977       175.0128        -333964.3151     21778.9043         0.0000         0.0000     44901.2437        -222544.9272       163.3384   -267446.1709   -222065.9780       163.3384           -987.6013     -2425.5310    921491.4634      -987.6013     -2425.5310

ENERGY:     239     20428.8615     19846.5439      5752.8836       173.1946        -334966.8377     21816.7509         0.0000         0.0000     44416.4633        -222532.1399       161.5749   -266948.6032   -222068.9827       161.5749          -2385.1781     -2499.0796    921491.4634     -2385.1781     -2499.0796

TIMING: 240  CPU: 114.699, 0.472471/step  Wall: 114.699, 0.472471/step, 0.0341229 hours remaining, 3223.609375 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     20119.9134      5760.6909       171.4213        -335766.3624     21854.4253         0.0000         0.0000     42641.4775        -222357.3920       155.1180   -264998.8695   -222074.0954       155.1180          -3844.9084     -2568.3896    921491.4634     -3844.9084     -2568.3896

ENERGY:     241     23920.0052     20195.4872      5762.7124       169.9828        -336129.3250     21865.1032         0.0000         0.0000     41957.8935        -222258.1408       152.6313   -264216.0342   -222063.9159       152.6313          -4724.4491     -2616.3453    921491.4634     -4724.4491     -2616.3453

ENERGY:     242     22110.7715     20111.8208      5758.5348       169.0441        -335904.8195     21831.0568         0.0000         0.0000     43526.8720        -222396.7196       158.3388   -265923.5916   -222063.5737       158.3388          -4623.1688     -2633.0913    921491.4634     -4623.1688     -2633.0913

ENERGY:     243     19462.3620     19969.6444      5749.3614       168.8705        -335233.7068     21770.4748         0.0000         0.0000     45537.0690        -222575.9246       165.6513   -268112.9936   -222061.6675       165.6513          -3760.4505     -2614.6992    921491.4634     -3760.4505     -2614.6992

ENERGY:     244     18822.2465     19849.3934      5737.4544       169.6534        -334482.6011     21720.5676         0.0000         0.0000     45629.1662        -222554.1195       165.9864   -268183.2858   -222078.7772       165.9864          -2667.7299     -2573.2149    921491.4634     -2667.7299     -2573.2149

ENERGY:     245     20148.2370     19811.7599      5725.7784       171.4559        -334087.5948     21701.2471         0.0000         0.0000     44168.5247        -222360.5919       160.6730   -266529.1166   -222068.6367       160.6730          -1771.6902     -2533.5454    921491.4634     -1771.6902     -2533.5454

ENERGY:     246     20878.5482     19853.7024      5716.8932       174.1558        -334213.1208     21705.0851         0.0000         0.0000     43600.4181        -222284.3179       158.6063   -265884.7361   -222067.4297       158.6063          -1173.7931     -2523.3912    921491.4634     -1173.7931     -2523.3912

ENERGY:     247     19868.5287     19979.6440      5712.7400       177.5412        -334802.1844     21719.8455         0.0000         0.0000     44912.1912        -222431.6938       163.3782   -267343.8850   -222068.1395       163.3782           -983.0001     -2552.5930    921491.4634      -983.0001     -2552.5930

ENERGY:     248     19035.4924     20164.4296      5713.8450       181.3144        -335623.1355     21746.4311         0.0000         0.0000     46185.9362        -222595.6867       168.0117   -268781.6229   -222090.3129       168.0117          -1359.1246     -2608.3066    921491.4634     -1359.1246     -2608.3066

ENERGY:     249     20484.3304     20353.6193      5719.1623       185.0800        -336433.0069     21788.9034         0.0000         0.0000     45370.8152        -222531.0961       165.0466   -267901.9113   -222082.9713       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        -336907.4411     21832.9290         0.0000         0.0000     43252.1659        -222329.9459       157.3395   -265582.1118   -222084.2880       157.3395          -3365.2094     -2722.3879    921491.4634     -3365.2094     -2722.3879

ENERGY:     251     24002.1397     20302.5996      5731.6573       191.5295        -336816.8450     21849.8674         0.0000         0.0000     42475.2392        -222263.8123       154.5132   -264739.0515   -222084.8992       154.5132          -3958.0337     -2753.0723    921491.4634     -3958.0337     -2753.0723

ENERGY:     252     21994.9041     20013.1598      5733.2541       193.8023        -336093.2677     21826.9296         0.0000         0.0000     43905.3721        -222425.8457       159.7157   -266331.2178   -222091.3306       159.7157          -3843.4680     -2758.0338    921491.4634     -3843.4680     -2758.0338

ENERGY:     253     19499.8637     19667.1122      5729.5496       195.2411        -334977.1808     21784.0537         0.0000         0.0000     45520.0192        -222581.3413       165.5893   -268101.3605   -222082.7206       165.5893          -3300.1273     -2735.8131    921491.4634     -3300.1273     -2735.8131

ENERGY:     254     19073.0882     19348.2296      5720.5008       195.9622        -333839.8800     21752.6525         0.0000         0.0000     45220.9195        -222528.5273       164.5013   -267749.4467   -222080.4687       164.5013          -2707.1337     -2696.1701    921491.4634     -2707.1337     -2696.1701

ENERGY:     255     20324.2313     19109.4102      5707.6062       196.0620        -333099.9235     21746.1516         0.0000         0.0000     43667.4211        -222349.0411       158.8501   -266016.4622   -222078.3977       158.8501          -2282.5426     -2662.7814    921491.4634     -2282.5426     -2662.7814

ENERGY:     256     20899.4411     18950.9578      5693.4518       195.6570        -332975.5975     21757.6849         0.0000         0.0000     43181.1611        -222297.2438       157.0812   -265478.4049   -222071.2740       157.0812          -2042.2410     -2664.5198    921491.4634     -2042.2410     -2664.5198

ENERGY:     257     20029.5653     18878.1874      5681.1759       194.7976        -333481.0040     21780.2420         0.0000         0.0000     44488.5467        -222428.4891       161.8371   -266917.0358   -222060.1684       161.8371          -2035.5363     -2692.1441    921491.4634     -2035.5363     -2692.1441

ENERGY:     258     19453.5866     18882.0666      5673.2911       193.6684        -334373.1545     21817.5079         0.0000         0.0000     45796.2577        -222556.7762       166.5942   -268353.0339   -222062.0608       166.5942          -2331.2327     -2737.1919    921491.4634     -2331.2327     -2737.1919

ENERGY:     259     20717.7708     18984.1029      5671.3007       192.3773        -335369.5277     21871.0067         0.0000         0.0000     45431.1554        -222501.8139       165.2661   -267932.9693   -222063.7307       165.2661          -2890.3669     -2780.4961    921491.4634     -2890.3669     -2780.4961

TIMING: 260  CPU: 124.141, 0.472101/step  Wall: 124.141, 0.472101/step, 0.0314734 hours remaining, 3223.917969 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     19188.2462      5675.1875       191.0393        -336169.7729     21924.7894         0.0000         0.0000     44083.4304        -222362.1258       160.3634   -266445.5562   -222069.6814       160.3634          -3407.4791     -2810.9877    921491.4634     -3407.4791     -2810.9877

ENERGY:     261     23215.5572     19485.4654      5683.6413       189.7700        -336523.9800     21953.3903         0.0000         0.0000     43676.0233        -222320.1325       158.8814   -265996.1558   -222052.8238       158.8814          -3555.3692     -2822.8647    921491.4634     -3555.3692     -2822.8647

ENERGY:     262     21606.2723     19814.6776      5694.0656       188.7122        -336291.7860     21947.6075         0.0000         0.0000     44601.6346        -222438.8162       162.2485   -267040.4507   -222052.4324       162.2485          -3214.7559     -2810.4636    921491.4634     -3214.7559     -2810.4636

ENERGY:     263     19781.1228     20140.5621      5703.8103       187.9445        -335614.9715     21924.4742         0.0000         0.0000     45349.7771        -222527.2805       164.9700   -267877.0576   -222051.1549       164.9700          -2647.8114     -2773.3902    921491.4634     -2647.8114     -2773.3902

ENERGY:     264     19385.2261     20436.4305      5710.6950       187.5052        -334855.9514     21907.7774         0.0000         0.0000     44751.4783        -222476.8390       162.7936   -267228.3172   -222069.1984       162.7936          -2191.1927     -2723.5293    921491.4634     -2191.1927     -2723.5293

ENERGY:     265     19946.8417     20681.9925      5713.6241       187.4392        -334395.6635     21906.0165         0.0000         0.0000     43607.6373        -222352.1122       158.6326   -265959.7495   -222054.3373       158.6326          -2038.0574     -2683.6034    921491.4634     -2038.0574     -2683.6034

ENERGY:     266     20048.7900     20788.8700      5712.1327       187.6137        -334399.4581     21914.4807         0.0000         0.0000     43399.3796        -222348.1913       157.8750   -265747.5709   -222054.3636       157.8750          -2130.7242     -2664.5956    921491.4634     -2130.7242     -2664.5956

ENERGY:     267     19648.0906     20691.2678      5707.0583       187.8501        -334831.4859     21930.8376         0.0000         0.0000     44220.2168        -222446.1647       160.8610   -266666.3815   -222055.6586       160.8610          -2435.4235     -2662.6782    921491.4634     -2435.4235     -2662.6782

ENERGY:     268     19962.9160     20375.7515      5700.1930       187.9286        -335513.7451     21959.1259         0.0000         0.0000     44823.5377        -222504.2924       163.0557   -267327.8301   -222075.9875       163.0557          -2903.2125     -2658.6180    921491.4634     -2903.2125     -2658.6180

ENERGY:     269     21396.7812     19927.1702      5694.0390       187.7640        -336221.0662     21997.2162         0.0000         0.0000     44586.5098        -222431.5858       162.1935   -267018.0957   -222066.1973       162.1935          -3401.4127     -2647.2949    921491.4634     -3401.4127     -2647.2949

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

ENERGY:     270     22620.1932     19450.9168      5690.3173       187.1618        -336650.6775     22028.8072         0.0000         0.0000     44308.0074        -222365.2738       161.1804   -266673.2812   -222067.0434       161.1804          -3583.3632     -2617.7582    921491.4634     -3583.3632     -2617.7582

ENERGY:     271     22345.5822     19078.8066      5690.0209       186.1610        -336571.7893     22035.2503         0.0000         0.0000     44829.4472        -222406.5212       163.0772   -267235.9683   -222066.8386       163.0772          -3261.2172     -2569.2621    921491.4634     -3261.2172     -2569.2621

ENERGY:     272     21021.5583     18896.0662      5692.8269       184.9335        -335921.4616     22015.0582         0.0000         0.0000     45607.7075        -222503.3110       165.9083   -268111.0186   -222081.1572       165.9083          -2551.9682     -2501.8804    921491.4634     -2551.9682     -2501.8804

ENERGY:     273     20123.2136     18932.9081      5697.5118       183.8526        -334925.7014     21985.5298         0.0000         0.0000     45502.7160        -222499.9696       165.5264   -268002.6856   -222069.0459       165.5264          -1837.1974     -2434.6759    921491.4634     -1837.1974     -2434.6759

ENERGY:     274     20074.7418     19121.4863      5701.6806       183.0070        -333931.6260     21965.2979         0.0000         0.0000     44478.5174        -222406.8952       161.8006   -266885.4126   -222066.8029       161.8006          -1366.5213     -2384.6633    921491.4634     -1366.5213     -2384.6633

ENERGY:     275     20005.4319     19374.0680      5703.3424       182.5376        -333318.5606     21960.8301         0.0000         0.0000     43741.9681        -222350.3825       159.1213   -266092.3506   -222065.7692       159.1213          -1269.7931     -2374.8868    921491.4634     -1269.7931     -2374.8868

ENERGY:     276     19401.8503     19594.7508      5701.2547       182.4904        -333292.1286     21971.0412         0.0000         0.0000     44028.5270        -222412.2142       160.1637   -266440.7412   -222072.9397       160.1637          -1580.1302     -2417.6041    921491.4634     -1580.1302     -2417.6041

ENERGY:     277     19149.2972     19724.7159      5695.5210       182.9396        -333864.3457     21997.2389         0.0000         0.0000     44632.8111        -222481.8219       162.3619   -267114.6331   -222061.0990       162.3619          -2311.7546     -2498.0545    921491.4634     -2311.7546     -2498.0545

ENERGY:     278     20199.4576     19713.7758      5686.9122       183.6585        -334821.1005     22041.3361         0.0000         0.0000     44532.2540        -222463.7063       161.9961   -266995.9603   -222063.4133       161.9961          -3254.8157     -2593.7696    921491.4634     -3254.8157     -2593.7696

ENERGY:     279     21984.3648     19593.9429      5677.5176       184.5187        -335888.5801     22096.4201         0.0000         0.0000     43975.0879        -222376.7281       159.9693   -266351.8160   -222065.2025       159.9693          -4044.3212     -2682.8389    921491.4634     -4044.3212     -2682.8389

TIMING: 280  CPU: 133.567, 0.471272/step  Wall: 133.567, 0.471272/step, 0.0288 hours remaining, 3223.917969 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     280     22859.3229     19458.4365      5670.0026       185.3899        -336752.6631     22145.1356         0.0000         0.0000     44066.7338        -222367.6419       160.3027   -266434.3756   -222073.4247       160.3027          -4286.3891     -2748.0545    921491.4634     -4286.3891     -2748.0545

ENERGY:     281     22172.5957     19445.1181      5667.0588       186.2206        -337154.6802     22172.1194         0.0000         0.0000     45063.2422        -222448.3253       163.9277   -267511.5675   -222064.8518       163.9277          -3881.2949     -2782.5901    921491.4634     -3881.2949     -2782.5901

ENERGY:     282     20943.7897     19615.5378      5669.9796       186.8360        -336942.5034     22176.7656         0.0000         0.0000     45823.3370        -222526.2577       166.6927   -268349.5947   -222063.3316       166.6927          -2992.3269     -2779.3667    921491.4634     -2992.3269     -2779.3667

ENERGY:     283     20432.1060     19966.6614      5678.8137       187.1634        -336251.9202     22171.0650         0.0000         0.0000     45328.8520        -222487.2587       164.8939   -267816.1107   -222060.8459       164.8939          -2008.7735     -2748.2305    921491.4634     -2008.7735     -2748.2305

ENERGY:     284     20506.4000     20401.8821      5692.0830       187.1346        -335412.6302     22166.2912         0.0000         0.0000     44071.4480        -222387.3914       160.3198   -266458.8394   -222061.5539       160.3198          -1267.2791     -2712.3901    921491.4634     -1267.2791     -2712.3901

ENERGY:     285     20203.3289     20789.9629      5707.3565       186.7145        -334827.1969     22167.0168         0.0000         0.0000     43418.2631        -222354.5544       157.9437   -265772.8175   -222053.5966       157.9437          -1010.8438     -2700.0819    921491.4634     -1010.8438     -2700.0819

ENERGY:     286     19396.6310     20966.5622      5721.5031       185.8230        -334658.1152     22176.6865         0.0000         0.0000     43785.6882        -222425.2212       159.2803   -266210.9094   -222054.0582       159.2803          -1306.7503     -2717.2846    921491.4634     -1306.7503     -2717.2846

ENERGY:     287     19176.1191     20856.7823      5731.9346       184.4714        -334918.1484     22200.2912         0.0000         0.0000     44282.9439        -222485.6058       161.0892   -266768.5497   -222055.7252       161.0892          -2148.9613     -2753.3343    921491.4634     -2148.9613     -2753.3343

ENERGY:     288     20263.2088     20475.2851      5736.9558       182.7335        -335468.3152     22237.9039         0.0000         0.0000     44116.9906        -222455.2376       160.4855   -266572.2281   -222066.9053       160.4855          -3310.5878     -2790.1553    921491.4634     -3310.5878     -2790.1553

ENERGY:     289     21886.4834     19928.6979      5736.1905       180.7560        -336126.9125     22279.0692         0.0000         0.0000     43733.4514        -222382.2642       159.0903   -266115.7155   -222062.2724       159.0903          -4368.9813     -2809.8749    921491.4634     -4368.9813     -2809.8749

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

ENERGY:     290     22615.9843     19325.5266      5730.3279       178.6973        -336571.4576     22308.2176         0.0000         0.0000     44027.4235        -222385.2802       160.1597   -266412.7038   -222063.4684       160.1597          -4815.3284     -2796.0389    921491.4634     -4815.3284     -2796.0389

ENERGY:     291     22115.7701     18802.2910      5721.4122       176.7646        -336554.3559     22315.5632         0.0000         0.0000     44963.0866        -222459.4683       163.5634   -267422.5549   -222063.1774       163.5634          -4450.6671     -2738.1107    921491.4634     -4450.6671     -2738.1107

ENERGY:     292     21262.5909     18472.4016      5712.2431       175.1751        -335987.2703     22302.8786         0.0000         0.0000     45560.3454        -222501.6356       165.7360   -268061.9810   -222072.5162       165.7360          -3435.4154     -2639.3512    921491.4634     -3435.4154     -2639.3512

ENERGY:     293     20783.4661     18411.7343      5705.7252       174.1484        -335092.9710     22279.1183         0.0000         0.0000     45283.4160        -222455.3626       164.7286   -267738.7787   -222061.5456       164.7286          -2166.7336     -2517.2544    921491.4634     -2166.7336     -2517.2544

ENERGY:     294     20398.6129     18589.6437      5703.5791       173.8101        -334179.1791     22254.0801         0.0000         0.0000     44662.2338        -222397.2194       162.4689   -267059.4532   -222058.8852       162.4689          -1006.6043     -2405.5593    921491.4634     -1006.6043     -2405.5593

ENERGY:     295     19706.6744     18924.3583      5706.2255       174.2141        -333602.5020     22236.6570         0.0000         0.0000     44449.5912        -222404.7815       161.6954   -266854.3728   -222057.5862       161.6954           -311.5568     -2335.1538    921491.4634      -311.5568     -2335.1538

ENERGY:     296     19122.8992     19301.4532      5712.5929       175.3096        -333576.4730     22236.1190         0.0000         0.0000     44573.6030        -222454.4960       162.1465   -267028.0990   -222067.3940       162.1465           -347.2085     -2322.9740    921491.4634      -347.2085     -2322.9740

ENERGY:     297     19439.7490     19641.8017      5720.7182       176.9777        -334148.9757     22258.2526         0.0000         0.0000     44466.2679        -222445.2087       161.7561   -266911.4766   -222050.8188       161.7561          -1189.5388     -2359.0875    921491.4634     -1189.5388     -2359.0875

ENERGY:     298     20578.5047     19886.6663      5727.8935       178.9488        -335137.5242     22299.1412         0.0000         0.0000     44067.5345        -222398.8352       160.3056   -266466.3697   -222053.6276       160.3056          -2519.0813     -2427.9309    921491.4634     -2519.0813     -2427.9309

ENERGY:     299     21598.9656     20050.9659      5731.9440       180.9390        -336266.8206     22346.0659         0.0000         0.0000     43977.6323        -222380.3079       159.9785   -266357.9402   -222056.3729       159.9785          -3820.1263     -2506.2687    921491.4634     -3820.1263     -2506.2687

LDB: ============= START OF LOAD BALANCING ============== 148.919
LDB: Largest compute 200 load 0.524518 is 1.1% of average load 45.765434
LDB: Average compute 0.064114 is 0.1% of average load 45.765434
LDB: TIME 148.921 LOAD: AVG 45.7654 MAX 47.2138  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.31 MB
LDB: TIME 148.921 LOAD: AVG 45.7654 MAX 47.2138  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.31 MB
LDB: TIME 148.938 LOAD: AVG 45.7654 MAX 46.2868  PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.31 MB
LDB: ============== END OF LOAD BALANCING =============== 148.939
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.94
Info: Initial time: 4 CPUs 0.471813 s/step 5.4608 days/ns 3224.31 MB memory
TIMING: 300  CPU: 142.993, 0.471302/step  Wall: 142.993, 0.471302/step, 0.0261834 hours remaining, 3224.308594 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     21869.9881     20174.1888      5731.6695       182.6816        -337209.9032     22385.4781         0.0000         0.0000     44423.7998        -222442.0974       161.6016   -266865.8971   -222076.5869       161.6016          -4600.9407     -2563.6019    921491.4634     -4600.9407     -2563.6019

ENERGY:     301     21754.7697     20299.7851      5727.3852       184.0330        -337665.1001     22409.6627         0.0000         0.0000     44817.7468        -222471.7175       163.0346   -267289.4643   -222059.2469       163.0346          -4657.8462     -2584.2293    921491.4634     -4657.8462     -2584.2293

ENERGY:     302     21723.0646     20395.7907      5720.2599       184.8676        -337483.0153     22416.9293         0.0000         0.0000     44599.2671        -222442.8361       162.2399   -267042.1032   -222057.3400       162.2399          -3958.8648     -2554.2736    921491.4634     -3958.8648     -2554.2736

ENERGY:     303     21512.5328     20430.0800      5712.5286       185.2198        -336784.9551     22409.2049         0.0000         0.0000     44154.6910        -222380.6980       160.6226   -266535.3890   -222054.2089       160.6226          -2717.2718     -2487.9821    921491.4634     -2717.2718     -2487.9821

ENERGY:     304     20579.5057     20379.6043      5706.6112       185.2163        -335895.7345     22392.3088         0.0000         0.0000     44259.5532        -222392.9350       161.0041   -266652.4882   -222063.7237       161.0041          -1310.8211     -2411.5371    921491.4634     -1310.8211     -2411.5371

ENERGY:     305     19294.2490     20267.1924      5704.5649       185.0761        -335184.3677     22377.9876         0.0000         0.0000     44903.5551        -222451.7426       163.3468   -267355.2977   -222049.0629       163.3468           -285.4666     -2359.8439    921491.4634      -285.4666     -2359.8439

ENERGY:     306     18813.6234     20091.4460      5706.8791       184.8700        -334861.4714     22380.1170         0.0000         0.0000     45195.6070        -222488.9288       164.4092   -267684.5358   -222048.9453       164.4092            -34.4476     -2342.9900    921491.4634       -34.4476     -2342.9900

ENERGY:     307     19699.8291     19880.2868      5712.8835       184.6555        -334994.2779     22404.6080         0.0000         0.0000     44676.1363        -222435.8788       162.5195   -267112.0151   -222050.4564       162.5195           -686.7125     -2362.0196    921491.4634      -686.7125     -2362.0196

ENERGY:     308     21066.5788     19666.1166      5720.7563       184.4262        -335495.7177     22443.3091         0.0000         0.0000     44039.4394        -222375.0913       160.2034   -266414.5306   -222060.2283       160.2034          -1960.6040     -2406.6006    921491.4634     -1960.6040     -2406.6006

ENERGY:     309     21696.0234     19507.1877      5728.2464       184.2113        -336171.4696     22480.8021         0.0000         0.0000     44190.3407        -222384.6579       160.7523   -266574.9986   -222050.0296       160.7523          -3383.0053     -2467.8898    921491.4634     -3383.0053     -2467.8898

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

ENERGY:     310     21508.7274     19421.0238      5732.7586       183.9063        -336693.8608     22505.8457         0.0000         0.0000     44871.0065        -222470.5925       163.2284   -267341.5990   -222052.4940       163.2284          -4424.6312     -2515.2222    921491.4634     -4424.6312     -2515.2222

ENERGY:     311     21459.6722     19421.2607      5732.5580       183.4896        -336798.7864     22515.0560         0.0000         0.0000     44986.9605        -222499.7894       163.6502   -267486.7499   -222053.3070       163.6502          -4795.7693     -2523.0992    921491.4634     -4795.7693     -2523.0992

ENERGY:     312     21894.2737     19475.0868      5727.0397       182.9545        -336390.8674     22507.7150         0.0000         0.0000     44171.5546        -222432.2431       160.6840   -266603.7977   -222064.5093       160.6840          -4390.5734     -2479.7746    921491.4634     -4390.5734     -2479.7746

ENERGY:     313     21935.6983     19529.7472      5717.1322       182.3602        -335633.4773     22483.0130         0.0000         0.0000     43439.9885        -222345.5378       158.0227   -265785.5263   -222050.9855       158.0227          -3324.4414     -2406.1159    921491.4634     -3324.4414     -2406.1159

ENERGY:     314     20774.0372     19507.1857      5704.6248       181.6523        -334801.1003     22445.5165         0.0000         0.0000     43813.5132        -222374.5706       159.3815   -266188.0838   -222048.2692       159.3815          -1862.2382     -2326.9765    921491.4634     -1862.2382     -2326.9765

ENERGY:     315     19161.1203     19408.2597      5692.2116       180.8666        -334233.4701     22410.8359         0.0000         0.0000     44907.4424        -222472.7336       163.3609   -267380.1760   -222046.1398       163.3609           -549.3942     -2270.2359    921491.4634      -549.3942     -2270.2359

ENERGY:     316     18669.4292     19303.6208      5682.5270       180.0732        -334172.3640     22398.3990         0.0000         0.0000     45428.4344        -222509.8803       165.2562   -267938.3147   -222062.0708       165.2562             64.5862     -2251.8058    921491.4634        64.5862     -2251.8058

ENERGY:     317     19739.5965     19309.4453      5677.5265       179.4130        -334705.9333     22416.0670         0.0000         0.0000     44959.2150        -222424.6699       163.5493   -267383.8850   -222046.6267       163.5493           -296.1488     -2282.4173    921491.4634      -296.1488     -2282.4173

ENERGY:     318     21109.3874     19471.3044      5677.4840       178.9393        -335675.6971     22454.1810         0.0000         0.0000     44425.4195        -222358.9815       161.6075   -266784.4010   -222048.7802       161.6075          -1378.4199     -2356.1401    921491.4634     -1378.4199     -2356.1401

ENERGY:     319     21567.4383     19787.0344      5681.4413       178.7485        -336801.6062     22496.5475         0.0000         0.0000     44691.1803        -222399.2160       162.5742   -267090.3962   -222051.9248       162.5742          -2725.8796     -2457.2024    921491.4634     -2725.8796     -2457.2024

TIMING: 320  CPU: 152.215, 0.461123/step  Wall: 152.215, 0.461123/step, 0.0230561 hours remaining, 3224.308594 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     20196.2691      5687.3971       178.9168        -337738.1156     22532.5476         0.0000         0.0000     45250.4871        -222499.1145       164.6088   -267749.6016   -222076.2071       164.6088          -3895.6020     -2553.5001    921491.4634     -3895.6020     -2553.5001

ENERGY:     321     21615.1672     20628.0218      5693.0806       179.5146        -338181.7100     22557.3347         0.0000         0.0000     45018.7801        -222489.8110       163.7659   -267508.5911   -222064.2788       163.7659          -4609.2357     -2621.5362    921491.4634     -4609.2357     -2621.5362

ENERGY:     322     22179.0068     20957.0456      5696.1855       180.4970        -337965.9626     22565.0704         0.0000         0.0000     43989.5235        -222398.6337       160.0218   -266388.1572   -222063.6576       160.0218          -4596.8828     -2640.5012    921491.4634     -4596.8828     -2640.5012

ENERGY:     323     21976.7005     21085.8079      5695.4506       181.8003        -337194.0741     22550.8104         0.0000         0.0000     43361.4898        -222342.0146       157.7372   -265703.5044   -222061.4465       157.7372          -3808.3605     -2616.6943    921491.4634     -3808.3605     -2616.6943

ENERGY:     324     20558.5069     20952.0212      5690.8581       183.3007        -336170.3971     22520.5742         0.0000         0.0000     43857.2495        -222407.8864       159.5406   -266265.1359   -222068.7483       159.5406          -2506.6900     -2573.6930    921491.4634     -2506.6900     -2573.6930

ENERGY:     325     19096.1753     20584.7376      5683.7433       184.8442        -335297.0509     22494.0546         0.0000         0.0000     44763.3950        -222490.1011       162.8369   -267253.4961   -222060.9513       162.8369          -1264.0245     -2529.6545    921491.4634     -1264.0245     -2529.6545

ENERGY:     326     18959.6361     20052.8003      5675.9627       186.2078        -334820.0101     22490.4170         0.0000         0.0000     44971.8219        -222483.1643       163.5951   -267454.9862   -222059.6109       163.5951           -572.2142     -2503.0557    921491.4634      -572.2142     -2503.0557

ENERGY:     327     20020.7820     19506.2793      5669.7116       187.2139        -334851.2526     22513.0147         0.0000         0.0000     44550.7421        -222403.5090       162.0634   -266954.2512   -222059.8761       162.0634           -657.4990     -2506.5013    921491.4634      -657.4990     -2506.5013

ENERGY:     328     20934.1977     19092.0091      5666.7484       187.7399        -335303.4706     22549.7455         0.0000         0.0000     44493.2352        -222379.7949       161.8542   -266873.0301   -222061.7259       161.8542          -1393.2036     -2547.3517    921491.4634     -1393.2036     -2547.3517

ENERGY:     329     21066.6663     18910.0876      5668.0553       187.7546        -335996.4123     22586.9568         0.0000         0.0000     45124.3161        -222452.5756       164.1499   -267576.8917   -222059.3367       164.1499          -2499.2288     -2610.9951    921491.4634     -2499.2288     -2610.9951

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

ENERGY:     330     21142.6832     18933.5042      5673.1988       187.2569        -336566.3114     22617.7581         0.0000         0.0000     45495.0142        -222516.8958       165.4984   -268011.9100   -222062.1151       165.4984          -3602.9587     -2673.3211    921491.4634     -3602.9587     -2673.3211

ENERGY:     331     21864.6854     19091.0591      5680.9136       186.3262        -336735.1749     22637.2717         0.0000         0.0000     44806.2159        -222468.7030       162.9927   -267274.9189   -222063.3972       162.9927          -4373.7646     -2707.8810    921491.4634     -4373.7646     -2707.8810

ENERGY:     332     22513.8606     19292.8541      5689.3391       185.0893        -336383.5019     22636.4046         0.0000         0.0000     43697.6282        -222368.3261       158.9600   -266065.9543   -222061.8460       158.9600          -4514.5070     -2704.7029    921491.4634     -4514.5070     -2704.7029

ENERGY:     333     21854.9975     19482.7897      5696.6505       183.7309        -335681.4580     22608.9732         0.0000         0.0000     43501.2414        -222353.0748       158.2456   -265854.3162   -222052.0752       158.2456          -3943.3086     -2666.2160    921491.4634     -3943.3086     -2666.2160

ENERGY:     334     20023.4850     19603.2614      5701.0454       182.3864        -334880.5299     22564.8645         0.0000         0.0000     44357.3048        -222448.1825       161.3597   -266805.4873   -222049.6960       161.3597          -2855.3038     -2607.1875    921491.4634     -2855.3038     -2607.1875

ENERGY:     335     18726.9583     19647.0448      5701.6423       181.1975        -334325.9453     22528.7347         0.0000         0.0000     45026.6262        -222513.7414       163.7945   -267540.3676   -222047.5432       163.7945          -1753.1268     -2542.6963    921491.4634     -1753.1268     -2542.6963

ENERGY:     336     19127.9133     19639.0993      5698.6022       180.2744        -334271.7854     22519.7000         0.0000         0.0000     44649.6646        -222456.5316       162.4232   -267106.1962   -222055.6202       162.4232          -1093.5004     -2488.8701    921491.4634     -1093.5004     -2488.8701

ENERGY:     337     20420.1633     19649.7062      5693.3319       179.7347        -334824.3556     22536.4225         0.0000         0.0000     43995.5995        -222349.3976       160.0439   -266344.9971   -222040.1025       160.0439          -1064.7182     -2460.5858    921491.4634     -1064.7182     -2460.5858

ENERGY:     338     21007.5745     19722.4642      5687.5590       179.5437        -335808.8618     22564.1946         0.0000         0.0000     44285.9169        -222361.6088       161.1000   -266647.5257   -222041.5958       161.1000          -1500.9497     -2462.8575    921491.4634     -1500.9497     -2462.8575

ENERGY:     339     20742.6009     19892.4864      5683.2969       179.6501        -336924.5157     22593.0219         0.0000         0.0000     45359.3476        -222474.1119       165.0048   -267833.4595   -222043.8630       165.0048          -2199.9373     -2485.1214    921491.4634     -2199.9373     -2485.1214

TIMING: 340  CPU: 161.431, 0.460797/step  Wall: 161.431, 0.460797/step, 0.0204799 hours remaining, 3224.308594 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     20898.6066     20139.5372      5681.9995       179.9655        -337821.3678     22621.7138         0.0000         0.0000     45758.5726        -222540.9725       166.4571   -268299.5451   -222070.3953       166.4571          -2966.9706     -2503.9483    921491.4634     -2966.9706     -2503.9483

ENERGY:     341     22051.8625     20407.8963      5684.3134       180.4786        -338209.1662     22646.3200         0.0000         0.0000     44797.5817        -222440.7137       162.9613   -267238.2954   -222054.5347       162.9613          -3585.3812     -2498.5441    921491.4634     -3585.3812     -2498.5441

ENERGY:     342     22895.9214     20582.1011      5689.2419       181.0293        -337942.4472     22653.2573         0.0000         0.0000     43612.4986        -222328.3975       158.6503   -265940.8962   -222054.3602       158.6503          -3711.7546     -2460.9854    921491.4634     -3711.7546     -2460.9854

ENERGY:     343     21993.5596     20596.8906      5695.1198       181.5548        -337132.3416     22633.1275         0.0000         0.0000     43686.5572        -222345.5322       158.9197   -266032.0894   -222053.2448       158.9197          -3217.8263     -2399.3474    921491.4634     -3217.8263     -2399.3474

ENERGY:     344     19898.5080     20447.2066      5699.9573       182.0106        -336095.2675     22596.5930         0.0000         0.0000     44790.9362        -222480.0559       162.9371   -267270.9920   -222071.3577       162.9371          -2338.1159     -2329.7491    921491.4634     -2338.1159     -2329.7491

ENERGY:     345     18694.7357     20199.0881      5702.3270       182.4513        -335224.1273     22568.7538         0.0000         0.0000     45351.4659        -222525.3055       164.9762   -267876.7714   -222058.0554       164.9762          -1576.2389     -2261.7958    921491.4634     -1576.2389     -2261.7958

ENERGY:     346     19350.9888     19892.9541      5701.0894       182.7368        -334783.0720     22565.1338         0.0000         0.0000     44652.5018        -222437.6672       162.4335   -267090.1691   -222056.8255       162.4335          -1239.3020     -2211.7779    921491.4634     -1239.3020     -2211.7779

ENERGY:     347     20669.8294     19583.9409      5696.3949       182.8447        -334881.4384     22581.1983         0.0000         0.0000     43831.1327        -222336.0975       159.4456   -266167.2302   -222056.9473       159.4456          -1358.8144     -2194.9210    921491.4634     -1358.8144     -2194.9210

ENERGY:     348     21062.2470     19315.9902      5689.3479       182.7918        -335425.6668     22604.2202         0.0000         0.0000     44195.9876        -222375.0821       160.7729   -266571.0697   -222064.0949       160.7729          -1766.2765     -2218.9156    921491.4634     -1766.2765     -2218.9156

ENERGY:     349     20718.9514     19143.3231      5681.9008       182.6959        -336197.3783     22630.4376         0.0000         0.0000     45349.6295        -222490.4402       164.9695   -267840.0697   -222056.3110       164.9695          -2336.6405     -2270.6249    921491.4634     -2336.6405     -2270.6249

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

ENERGY:     350     21009.3449     19066.8676      5675.7227       182.5405        -336836.8357     22661.9755         0.0000         0.0000     45710.0737        -222530.3107       166.2807   -268240.3845   -222058.0878       166.2807          -2896.5507     -2326.8867    921491.4634     -2896.5507     -2326.8867

ENERGY:     351     22235.3178     19085.8716      5672.3994       182.3761        -337072.3450     22693.2958         0.0000         0.0000     44770.4138        -222432.6706       162.8625   -267203.0843   -222058.6357       162.8625          -3254.0185     -2369.0507    921491.4634     -3254.0185     -2369.0507

ENERGY:     352     22912.9249     19180.1283      5672.7329       182.2243        -336794.7861     22708.6920         0.0000         0.0000     43795.3993        -222342.6843       159.3156   -266138.0836   -222059.3899       159.3156          -3190.0136     -2394.0289    921491.4634     -3190.0136     -2394.0289

ENERGY:     353     21825.9776     19344.0939      5676.6445       182.1014        -336147.6555     22699.4233         0.0000         0.0000     44043.1857        -222376.2292       160.2170   -266419.4149   -222047.6764       160.2170          -2709.1542     -2407.4663    921491.4634     -2709.1542     -2407.4663

ENERGY:     354     19814.0382     19544.5093      5682.7360       181.9868        -335375.1829     22676.8667         0.0000         0.0000     44983.0758        -222491.9700       163.6361   -267475.0459   -222046.2244       163.6361          -2040.9899     -2415.4742    921491.4634     -2040.9899     -2415.4742

ENERGY:     355     18879.8418     19773.7510      5689.2466       181.9196        -334823.9962     22664.4421         0.0000         0.0000     45120.2680        -222514.5272       164.1351   -267634.7952   -222044.8383       164.1351          -1600.3170     -2424.6827    921491.4634     -1600.3170     -2424.6827

ENERGY:     356     19622.4371     20015.8110      5694.4280       181.9402        -334758.7696     22674.4079         0.0000         0.0000     44153.0888        -222416.6566       160.6168   -266569.7453   -222053.0962       160.6168          -1622.0263     -2446.8265    921491.4634     -1622.0263     -2446.8265

ENERGY:     357     20687.2712     20255.1056      5697.1707       182.0215        -335288.0649     22700.2948         0.0000         0.0000     43438.0180        -222328.1831       158.0156   -265766.2010   -222042.2330       158.0156          -2061.3606     -2486.6662    921491.4634     -2061.3606     -2486.6662

ENERGY:     358     20785.4066     20424.8430      5696.9832       182.1295        -336225.9482     22730.2418         0.0000         0.0000     44019.5825        -222386.7616       160.1311   -266406.3441   -222043.9945       160.1311          -2636.8579     -2541.3592    921491.4634     -2636.8579     -2541.3592

ENERGY:     359     20493.6439     20484.4985      5694.4424       182.1894        -337270.5931     22762.0667         0.0000         0.0000     45152.8981        -222500.8540       164.2538   -267653.7521   -222046.1002       164.2538          -3161.2176     -2593.4281    921491.4634     -3161.2176     -2593.4281

TIMING: 360  CPU: 170.639, 0.460398/step  Wall: 170.639, 0.460398/step, 0.0179044 hours remaining, 3224.308594 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     21112.5810     20418.0334      5690.9151       182.1442        -338077.5509     22797.1677         0.0000         0.0000     45362.4571        -222514.2523       165.0162   -267876.7094   -222065.3876       165.0162          -3505.9502     -2622.8572    921491.4634     -3505.9502     -2622.8572

ENERGY:     361     22462.8274     20259.6926      5688.3191       181.9496        -338397.1526     22827.2220         0.0000         0.0000     44580.8522        -222396.2897       162.1729   -266977.1419   -222052.4540       162.1729          -3542.5442     -2618.5019    921491.4634     -3542.5442     -2618.5019

ENERGY:     362     22808.6002     20031.2790      5688.3203       181.6679        -338079.7613     22835.7526         0.0000         0.0000     44200.9552        -222333.1861       160.7909   -266534.1414   -222051.2757       160.7909          -3087.0697     -2583.1906    921491.4634     -3087.0697     -2583.1906

ENERGY:     363     21303.6021     19794.1188      5692.1162       181.3427        -337235.0091     22818.0652         0.0000         0.0000     45033.6627        -222412.1014       163.8201   -267445.7641   -222049.5300       163.8201          -2242.6820     -2529.7064    921491.4634     -2242.6820     -2529.7064

ENERGY:     364     19323.8975     19612.6014      5699.8913       181.0103        -336175.2001     22790.5193         0.0000         0.0000     46034.3489        -222532.9314       167.4603   -268567.2803   -222068.5919       167.4603          -1420.0427     -2476.3757    921491.4634     -1420.0427     -2476.3757

ENERGY:     365     18830.5839     19548.3420      5710.7558       180.6857        -335316.0971     22775.7831         0.0000         0.0000     45760.0888        -222509.8578       166.4626   -268269.9466   -222057.4403       166.4626          -1100.2608     -2433.4823    921491.4634     -1100.2608     -2433.4823

ENERGY:     366     19854.2637     19578.5648      5722.5902       180.3919        -334923.1929     22780.3503         0.0000         0.0000     44422.2470        -222384.7850       161.5959   -266807.0319   -222057.2778       161.5959          -1392.6926     -2417.6863    921491.4634     -1392.6926     -2417.6863

ENERGY:     367     20741.0596     19662.8834      5732.9484       180.1165        -335098.3157     22794.3496         0.0000         0.0000     43662.6181        -222324.3401       158.8326   -265986.9582   -222058.3714       158.8326          -2104.1273     -2437.9268    921491.4634     -2104.1273     -2437.9268

ENERGY:     368     20561.5937     19748.2120      5739.6691       179.8275        -335728.0873     22808.6654         0.0000         0.0000     44272.8402        -222417.2795       161.0524   -266690.1197   -222068.2914       161.0524          -2928.4884     -2487.3070    921491.4634     -2928.4884     -2487.3070

ENERGY:     369     20346.9676     19812.6206      5741.6369       179.5048        -336580.3306     22825.3361         0.0000         0.0000     45155.6304        -222518.6342       164.2638   -267674.2646   -222061.1003       164.2638          -3666.9888     -2542.4573    921491.4634     -3666.9888     -2542.4573

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

ENERGY:     370     21302.3704     19815.7283      5738.6028       179.1429        -337296.0553     22846.3052         0.0000         0.0000     44920.4939        -222493.4118       163.4084   -267413.9057   -222062.2628       163.4084          -4081.4433     -2576.8188    921491.4634     -4081.4433     -2576.8188

ENERGY:     371     22799.2771     19758.4809      5731.5881       178.8004        -337606.4368     22861.3513         0.0000         0.0000     43904.8955        -222372.0435       159.7139   -266276.9391   -222061.9340       159.7139          -3956.1478     -2578.2816    921491.4634     -3956.1478     -2578.2816

ENERGY:     372     22964.3598     19665.2851      5722.4283       178.5955        -337391.7868     22854.0839         0.0000         0.0000     43672.6548        -222334.3793       158.8691   -266007.0341   -222060.3197       158.8691          -3189.3381     -2552.6172    921491.4634     -3189.3381     -2552.6172

ENERGY:     373     21253.1598     19603.3417      5713.4759       178.7080        -336784.3111     22822.4884         0.0000         0.0000     44782.9944        -222430.1430       162.9082   -267213.1374   -222050.3115       162.9082          -2037.0649     -2511.6655    921491.4634     -2037.0649     -2511.6655

ENERGY:     374     19285.9365     19613.0721      5706.5680       179.1985        -336019.1232     22785.5051         0.0000         0.0000     45912.3274        -222536.5157       167.0164   -268448.8430   -222048.2691       167.0164           -983.4306     -2469.0309    921491.4634      -983.4306     -2469.0309

ENERGY:     375     18893.7027     19735.2394      5703.0316       180.0533        -335443.7683     22766.6836         0.0000         0.0000     45660.9715        -222504.0862       166.1021   -268165.0577   -222047.0945       166.1021           -539.4860     -2439.8660    921491.4634      -539.4860     -2439.8660

ENERGY:     376     19884.0272     19962.1764      5703.2010       181.1433        -335321.8628     22772.8703         0.0000         0.0000     44434.3269        -222384.1176       161.6399   -266818.4446   -222050.5530       161.6399           -874.6220     -2439.6901    921491.4634      -874.6220     -2439.6901

ENERGY:     377     20646.4608     20251.1593      5706.5521       182.3249        -335763.5798     22794.3776         0.0000         0.0000     43848.2748        -222334.4303       159.5080   -266182.7051   -222041.4014       159.5080          -1819.5855     -2472.4984    921491.4634     -1819.5855     -2472.4984

ENERGY:     378     20473.8099     20495.6595      5711.4639       183.2952        -336584.2275     22821.5839         0.0000         0.0000     44474.7531        -222423.6622       161.7869   -266898.4152   -222044.3968       161.7869          -2972.9870     -2523.3497    921491.4634     -2972.9870     -2523.3497

ENERGY:     379     20419.4574     20623.8792      5716.2160       183.8420        -337495.6093     22854.5155         0.0000         0.0000     45185.6410        -222512.0583       164.3729   -267697.6993   -222047.0130       164.3729          -3997.4169     -2563.3071    921491.4634     -3997.4169     -2563.3071

TIMING: 380  CPU: 179.845, 0.460274/step  Wall: 179.845, 0.460274/step, 0.0153425 hours remaining, 3224.308594 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     21458.1129     20605.4121      5719.3306       183.8284        -338176.3450     22892.6531         0.0000         0.0000     44833.7898        -222483.2181       163.0930   -267317.0079   -222063.6479       163.0930          -4580.2699     -2564.2100    921491.4634     -4580.2699     -2564.2100

ENERGY:     381     22824.3125     20467.0312      5720.1164       183.2929        -338395.2410     22923.6571         0.0000         0.0000     43906.3001        -222370.5308       159.7191   -266276.8309   -222053.0346       159.7191          -4470.7194     -2514.6120    921491.4634     -4470.7194     -2514.6120

ENERGY:     382     22844.1904     20220.4987      5718.3197       182.2157        -338010.6533     22930.5475         0.0000         0.0000     43766.5295        -222348.3519       159.2106   -266114.8813   -222051.0362       159.2106          -3524.7149     -2418.5487    921491.4634     -3524.7149     -2418.5487

ENERGY:     383     21263.6993     19910.9247      5714.6670       180.7420        -337128.0227     22911.2846         0.0000         0.0000     44707.9441        -222438.7611       162.6352   -267146.7051   -222048.1880       162.6352          -2023.0803     -2294.0131    921491.4634     -2023.0803     -2294.0131

ENERGY:     384     19625.4113     19596.0354      5710.5349       179.0647        -336052.0489     22884.2535         0.0000         0.0000     45539.1830        -222517.5660       165.6590   -268056.7491   -222062.0928       165.6590           -569.2381     -2166.9358    921491.4634      -569.2381     -2166.9358

ENERGY:     385     19327.8180     19356.8912      5707.7751       177.4354        -335210.6403     22871.6144         0.0000         0.0000     45299.7169        -222469.3892       164.7879   -267769.1061   -222051.0996       164.7879            215.3513     -2064.3636    921491.4634       215.3513     -2064.3636

ENERGY:     386     19981.2273     19220.9464      5707.6637       175.9385        -334865.1819     22880.7958         0.0000         0.0000     44519.8584        -222378.7518       161.9510   -266898.6102   -222051.0440       161.9510            122.6669     -2011.2428    921491.4634       122.6669     -2011.2428

ENERGY:     387     20367.2860     19202.4843      5710.9354       174.6759        -335109.8726     22905.2743         0.0000         0.0000     44377.1814        -222372.0352       161.4320   -266749.2165   -222053.0053       161.4320           -738.9585     -2019.1689    921491.4634      -738.9585     -2019.1689

ENERGY:     388     20282.3986     19280.0167      5717.2934       173.7038        -335824.1514     22938.2899         0.0000         0.0000     44972.7760        -222459.6730       163.5986   -267432.4490   -222067.4816       163.5986          -2063.8552     -2076.2820    921491.4634     -2063.8552     -2076.2820

ENERGY:     389     20685.9712     19431.2563      5725.6291       173.0778        -336772.2800     22978.5918         0.0000         0.0000     45279.3793        -222498.3745       164.7139   -267777.7537   -222059.2964       164.7139          -3501.7337     -2158.1991    921491.4634     -3501.7337     -2158.1991

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

ENERGY:     390     21929.5051     19598.7447      5733.9032       172.7580        -337596.2509     23021.3361         0.0000         0.0000     44698.9838        -222441.0201       162.6026   -267140.0039   -222061.4794       162.6026          -4540.4921     -2229.7773    921491.4634     -4540.4921     -2229.7773

ENERGY:     391     22937.3144     19764.3495      5740.3107       172.7562        -338017.7274     23051.7298         0.0000         0.0000     43987.0072        -222364.2597       160.0126   -266351.2669   -222061.6920       160.0126          -4746.5205     -2270.9347    921491.4634     -4746.5205     -2270.9347

ENERGY:     392     22488.0360     19924.0528      5743.6080       173.0775        -337898.4684     23055.0070         0.0000         0.0000     44125.3369        -222389.3502       160.5158   -266514.6871   -222067.3165       160.5158          -3965.0287     -2276.9602    921491.4634     -3965.0287     -2276.9602

ENERGY:     393     20924.3596     20087.8867      5743.5041       173.6901        -337346.1125     23032.5723         0.0000         0.0000     44913.3821        -222470.7175       163.3825   -267384.0997   -222058.1707       163.3825          -2525.7428     -2257.0110    921491.4634     -2525.7428     -2257.0110

ENERGY:     394     19713.0845     20210.4903      5740.1181       174.4904        -336587.4365     23002.1139         0.0000         0.0000     45247.1176        -222500.0216       164.5966   -267747.1392   -222054.8625       164.5966           -988.4120     -2227.7233    921491.4634      -988.4120     -2227.7233

ENERGY:     395     19644.4020     20265.5069      5734.3763       175.3161        -335972.1480     22982.1015         0.0000         0.0000     44739.8940        -222430.5512       162.7514   -267170.4452   -222052.2370       162.7514             57.9319     -2215.1748    921491.4634        57.9319     -2215.1748

ENERGY:     396     20000.9211     20248.4507      5727.6303       175.9620        -335765.9672     22978.8833         0.0000         0.0000     44270.3054        -222363.8143       161.0432   -266634.1197   -222050.8950       161.0432            285.8962     -2246.0851    921491.4634       285.8962     -2246.0851

ENERGY:     397     19906.7784     20200.7712      5721.4919       176.2273        -336102.8178     22990.0369         0.0000         0.0000     44712.8678        -222394.6442       162.6531   -267107.5121   -222042.6600       162.6531           -376.0865     -2327.2104    921491.4634      -376.0865     -2327.2104

ENERGY:     398     19692.8115     20133.3593      5716.9814       176.0456        -336812.3381     23014.0579         0.0000         0.0000     45592.7327        -222486.3497       165.8538   -268079.0824   -222045.7223       165.8538          -1710.2238     -2443.6968    921491.4634     -1710.2238     -2443.6968

ENERGY:     399     20395.5106     20061.2892      5714.6367       175.4775        -337634.0286     23050.4580         0.0000         0.0000     45731.2034        -222505.4532       166.3575   -268236.6566   -222049.1604       166.3575          -3349.4394     -2564.3622    921491.4634     -3349.4394     -2564.3622

LDB: ============= START OF LOAD BALANCING ============== 195.005
LDB: Largest compute 201 load 0.522301 is 1.1% of average load 45.673378
LDB: Average compute 0.063956 is 0.1% of average load 45.673378
LDB: TIME 195.007 LOAD: AVG 45.6734 MAX 46.0645  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.31 MB
LDB: TIME 195.007 LOAD: AVG 45.6734 MAX 46.0645  PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.31 MB
LDB: TIME 195.007 LOAD: AVG 45.6734 MAX 46.0645  PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.31 MB
LDB: ============== END OF LOAD BALANCING =============== 195.008
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.009
Info: Benchmark time: 4 CPUs 0.460555 s/step 5.3305 days/ns 3224.31 MB memory
TIMING: 400  CPU: 189.052, 0.460383/step  Wall: 189.052, 0.460383/step, 0.0127884 hours remaining, 3224.308594 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     21983.9555     19981.4883      5714.2278       174.7230        -338264.6727     23090.3521         0.0000         0.0000     44890.2690        -222429.6571       163.2985   -267319.9261   -222060.6832       163.2985          -4748.6079     -2657.0000    921491.4634     -4748.6079     -2657.0000

ENERGY:     401     23053.7072     19909.1478      5715.0562       174.0724        -338477.1023     23114.9560         0.0000         0.0000     44157.6684        -222352.4944       160.6335   -266510.1628   -222050.1990       160.6335          -5384.8817     -2700.1796    921491.4634     -5384.8817     -2700.1796

ENERGY:     402     22444.0480     19835.9109      5715.8942       173.8391        -338107.6287     23109.6371         0.0000         0.0000     44436.8104        -222391.4890       161.6489   -266828.2994   -222049.2226       161.6489          -4939.3798     -2681.7027    921491.4634     -4939.3798     -2681.7027

ENERGY:     403     20784.9695     19778.4828      5715.7218       174.2695        -337239.9784     23077.8395         0.0000         0.0000     45225.5969        -222483.0985       164.5183   -267708.6953   -222046.6854       164.5183          -3613.5981     -2605.7430    921491.4634     -3613.5981     -2605.7430

ENERGY:     404     19687.5953     19735.4029      5713.8114       175.5084        -336169.1140     23038.2892         0.0000         0.0000     45313.8398        -222504.6669       164.8393   -267818.5067   -222060.2371       164.8393          -1967.0750     -2494.0441    921491.4634     -1967.0750     -2494.0441

ENERGY:     405     19798.8802     19696.7725      5710.0281       177.6162        -335317.9346     23008.3940         0.0000         0.0000     44511.4439        -222414.7997       161.9204   -266926.2436   -222047.5589       161.9204           -627.4751     -2380.7865    921491.4634      -627.4751     -2380.7865

ENERGY:     406     20210.3505     19614.0443      5704.4964       180.4779        -334953.8233     22994.4755         0.0000         0.0000     43902.7666        -222347.2120       159.7062   -266249.9786   -222046.2404       159.7062             66.0351     -2300.4798    921491.4634        66.0351     -2300.4798

ENERGY:     407     20044.4888     19493.9064      5698.1032       183.8794        -335181.5227     22996.8154         0.0000         0.0000     44376.0637        -222388.2659       161.4279   -266764.3296   -222047.0770       161.4279            -41.3220     -2272.9971    921491.4634       -41.3220     -2272.9971

ENERGY:     408     19735.8469     19387.6643      5692.2151       187.5226        -335902.8212     23017.8167         0.0000         0.0000     45394.4123        -222487.3432       165.1324   -267881.7555   -222063.5312       165.1324           -920.8282     -2294.1558    921491.4634      -920.8282     -2294.1558

ENERGY:     409     20350.1185     19376.4606      5688.4775       191.1593        -336896.6840     23057.9916         0.0000         0.0000     45733.6061        -222498.8704       166.3663   -268232.4765   -222051.6705       166.3663          -2367.4920     -2346.9327    921491.4634     -2367.4920     -2346.9327

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

ENERGY:     410     21850.5209     19470.1800      5687.6649       194.4179        -337813.1839     23106.2023         0.0000         0.0000     45077.0717        -222427.1261       163.9780   -267504.1978   -222054.6428       163.9780          -3838.6212     -2402.0241    921491.4634     -3838.6212     -2402.0241

ENERGY:     411     22931.8001     19651.0974      5689.8740       197.0388        -338354.2239     23140.9041         0.0000         0.0000     44380.5350        -222362.9746       161.4442   -266743.5096   -222056.2115       161.4442          -4745.1593     -2436.8802    921491.4634     -4745.1593     -2436.8802

ENERGY:     412     22535.8951     19878.8218      5694.3233       198.8205        -338356.4970     23146.2932         0.0000         0.0000     44499.5088        -222402.8343       161.8770   -266902.3431   -222068.4599       161.8770          -4717.2141     -2436.3029    921491.4634     -4717.2141     -2436.3029

ENERGY:     413     21130.1417     20138.5246      5699.9334       199.7191        -337872.5317     23125.1113         0.0000         0.0000     45113.2146        -222465.8870       164.1095   -267579.1016   -222055.3454       164.1095          -3850.6271     -2398.9550    921491.4634     -3850.6271     -2398.9550

ENERGY:     414     19987.3856     20381.5504      5705.1135       199.5118        -337122.7797     23094.4555         0.0000         0.0000     45271.6532        -222483.1098       164.6858   -267754.7630   -222052.1624       164.6858          -2501.3243     -2333.9465    921491.4634     -2501.3243     -2333.9465

ENERGY:     415     19745.2666     20572.1258      5708.7452       198.1487        -336456.1974     23071.1990         0.0000         0.0000     44733.2277        -222427.4845       162.7272   -267160.7122   -222049.0347       162.7272          -1174.6453     -2266.5616    921491.4634     -1174.6453     -2266.5616

ENERGY:     416     19942.3170     20661.9896      5710.0857       195.6954        -336157.5865     23063.1714         0.0000         0.0000     44200.2852        -222384.0422       160.7885   -266584.3274   -222052.9645       160.7885           -282.7614     -2224.6898    921491.4634      -282.7614     -2224.6898

ENERGY:     417     20031.3750     20631.3210      5709.0493       192.4696        -336373.1081     23072.1099         0.0000         0.0000     44338.4621        -222398.3210       161.2911   -266736.7831   -222044.6994       161.2911           -112.4553     -2227.1700    921491.4634      -112.4553     -2227.1700

ENERGY:     418     20154.6647     20457.0911      5705.5847       188.6536        -336970.7875     23098.6727         0.0000         0.0000     44915.1426        -222450.9779       163.3889   -267366.1205   -222046.7094       163.3889           -671.8546     -2269.9921    921491.4634      -671.8546     -2269.9921

ENERGY:     419     20790.7629     20185.5526      5700.4810       184.6055        -337717.8765     23139.8026         0.0000         0.0000     45250.3106        -222466.3614       164.6082   -267716.6720   -222049.5951       164.6082          -1783.9421     -2336.6464    921491.4634     -1783.9421     -2336.6464

TIMING: 420  CPU: 198.235, 0.459111/step  Wall: 198.235, 0.459111/step, 0.0102025 hours remaining, 3224.308594 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     21812.8757     19887.3914      5695.0414       180.6770        -338321.5521     23183.0577         0.0000         0.0000     45121.9782        -222440.5306       164.1414   -267562.5088   -222061.1149       164.1414          -3051.6030     -2402.9273    921491.4634     -3051.6030     -2402.9273

ENERGY:     421     22491.6106     19639.6139      5690.9238       177.2518        -338550.3547     23210.1388         0.0000         0.0000     44931.8965        -222408.9193       163.4499   -267340.8159   -222052.6019       163.4499          -4041.3726     -2452.8635    921491.4634     -4041.3726     -2452.8635

ENERGY:     422     22275.7616     19449.5354      5688.9976       174.4058        -338225.0328     23208.5480         0.0000         0.0000     45004.7087        -222423.0758       163.7148   -267427.7845   -222052.8450       163.7148          -4363.1152     -2465.6372    921491.4634     -4363.1152     -2465.6372

ENERGY:     423     21418.8987     19324.4278      5689.6736       172.2145        -337416.8971     23180.6045         0.0000         0.0000     45183.9716        -222447.1064       164.3669   -267631.0780   -222051.5233       164.3669          -3955.8306     -2434.9305    921491.4634     -3955.8306     -2434.9305

ENERGY:     424     20531.3311     19270.7822      5692.6542       170.6563        -336406.2777     23140.4651         0.0000         0.0000     45151.0459        -222449.3429       164.2471   -267600.3889   -222060.4126       164.2471          -3030.1607     -2370.2031    921491.4634     -3030.1607     -2370.2031

ENERGY:     425     19942.3361     19314.5615      5697.3263       169.6876        -335607.5218     23103.7926         0.0000         0.0000     44956.0481        -222423.7696       163.5377   -267379.8177   -222050.7961       163.5377          -1980.9651     -2297.0088    921491.4634     -1980.9651     -2297.0088

ENERGY:     426     19603.3348     19432.3076      5702.4946       169.0990        -335270.6887     23080.2898         0.0000         0.0000     44862.7383        -222420.4244       163.1983   -267283.1627   -222049.1088       163.1983          -1125.8048     -2237.7212    921491.4634     -1125.8048     -2237.7212

ENERGY:     427     19598.5316     19595.2904      5707.1504       168.7509        -335498.4327     23074.5013         0.0000         0.0000     44915.2772        -222438.9308       163.3894   -267354.2080   -222048.7336       163.3894           -741.9006     -2207.6352    921491.4634      -741.9006     -2207.6352

ENERGY:     428     20140.4227     19760.4175      5710.4628       168.5259        -336199.9860     23087.7683         0.0000         0.0000     44884.2592        -222448.1296       163.2766   -267332.3889   -222058.0549       163.2766           -935.5729     -2206.9582    921491.4634      -935.5729     -2206.9582

ENERGY:     429     21147.3673     19912.0622      5712.1357       168.3557        -337181.5912     23116.4527         0.0000         0.0000     44706.5243        -222418.6934       162.6300   -267125.2176   -222045.4880       162.6300          -1630.8082     -2233.4559    921491.4634     -1630.8082     -2233.4559

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

ENERGY:     430     22013.9869     20024.3739      5712.1700       168.1897        -338096.9208     23149.4499         0.0000         0.0000     44626.3099        -222402.4406       162.3383   -267028.7504   -222047.3914       162.3383          -2472.2454     -2268.0463    921491.4634     -2472.2454     -2268.0463

ENERGY:     431     22204.1020     20111.4152      5711.2600       168.0704        -338644.7647     23172.3810         0.0000         0.0000     44858.4629        -222419.0731       163.1828   -267277.5360   -222048.7168       163.1828          -3116.2803     -2293.5589    921491.4634     -3116.2803     -2293.5589

ENERGY:     432     21768.3704     20188.6723      5710.3546       168.1086        -338651.2103     23176.0851         0.0000         0.0000     45177.9908        -222461.6284       164.3451   -267639.6192   -222065.9057       164.3451          -3350.2739     -2296.1494    921491.4634     -3350.2739     -2296.1494

ENERGY:     433     21200.9073     20275.9662      5710.3763       168.4633        -338164.0639     23162.2916         0.0000         0.0000     45192.9284        -222453.1309       164.3995   -267646.0593   -222052.5980       164.3995          -3187.3731     -2272.1273    921491.4634     -3187.3731     -2272.1273

ENERGY:     434     20730.3413     20338.1498      5711.6061       169.3247        -337394.2706     23140.7740         0.0000         0.0000     44883.0998        -222420.9750       163.2724   -267304.0748   -222051.1461       163.2724          -2694.3106     -2227.7882    921491.4634     -2694.3106     -2227.7882

ENERGY:     435     20235.2202     20362.4014      5714.0003       170.8455        -336680.6558     23123.4102         0.0000         0.0000     44675.9840        -222398.7943       162.5190   -267074.7783   -222049.5887       162.5190          -2061.3580     -2179.8949    921491.4634     -2061.3580     -2179.8949

ENERGY:     436     19670.9243     20349.9982      5717.2345       173.0864        -336303.8818     23119.9082         0.0000         0.0000     44847.0985        -222425.6317       163.1414   -267272.7301   -222059.6959       163.1414          -1520.6597     -2145.1615    921491.4634     -1520.6597     -2145.1615

ENERGY:     437     19434.5516     20329.5094      5720.9893       175.9827        -336411.9792     23136.3872         0.0000         0.0000     45159.2689        -222455.2900       164.2770   -267614.5590   -222050.7502       164.2770          -1319.1168     -2134.4847    921491.4634     -1319.1168     -2134.4847

ENERGY:     438     19935.1531     20278.6099      5724.6884       179.3848        -336899.4586     23173.5523         0.0000         0.0000     45148.1328        -222459.9373       164.2365   -267608.0701   -222051.5668       164.2365          -1493.0940     -2145.0880    921491.4634     -1493.0940     -2145.0880

ENERGY:     439     21052.7405     20184.4301      5727.7929       183.0561        -337561.7730     23224.7485         0.0000         0.0000     44760.8216        -222428.1832       162.8276   -267189.0048   -222052.7965       162.8276          -1936.1988     -2169.8747    921491.4634     -1936.1988     -2169.8747

TIMING: 440  CPU: 207.405, 0.45853/step  Wall: 207.405, 0.45853/step, 0.00764217 hours remaining, 3224.308594 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     22071.5683     20036.2377      5729.7527       186.7202        -338123.1822     23276.2489         0.0000         0.0000     44417.5463        -222405.1081       161.5788   -266822.6545   -222059.4775       161.5788          -2408.4614     -2197.9673    921491.4634     -2408.4614     -2197.9673

ENERGY:     441     22355.5487     19860.0416      5730.3488       190.1145        -338361.1732     23313.2047         0.0000         0.0000     44502.6967        -222409.2181       161.8886   -266911.9148   -222050.0862       161.8886          -2716.1030     -2221.5316    921491.4634     -2716.1030     -2221.5316

ENERGY:     442     21853.6119     19664.5357      5729.4854       192.9411        -338090.1550     23327.1570         0.0000         0.0000     44880.6322        -222441.7916       163.2634   -267322.4238   -222049.7757       163.2634          -2710.5579     -2229.0698    921491.4634     -2710.5579     -2229.0698

ENERGY:     443     21064.3316     19487.0730      5727.6164       194.9329        -337369.3166     23320.0160         0.0000         0.0000     45118.1109        -222457.2356       164.1273   -267575.3465   -222048.5998       164.1273          -2448.1651     -2220.3533    921491.4634     -2448.1651     -2220.3533

ENERGY:     444     20449.3364     19357.2697      5725.4095       195.8735        -336464.1935     23301.5279         0.0000         0.0000     44987.7177        -222447.0590       163.6530   -267434.7767   -222057.9799       163.6530          -2090.2101     -2206.4400    921491.4634     -2090.2101     -2206.4400

ENERGY:     445     20125.5609     19307.2523      5723.6513       195.6942        -335759.3924     23283.8142         0.0000         0.0000     44708.7152        -222414.7043       162.6380   -267123.4195   -222046.5430       162.6380          -1846.9627     -2201.6926    921491.4634     -1846.9627     -2201.6926

ENERGY:     446     19947.6806     19324.9009      5722.5430       194.3235        -335494.5714     23276.0454         0.0000         0.0000     44620.2940        -222408.7841       162.3164   -267029.0781   -222046.1622       162.3164          -1800.7518     -2216.7293    921491.4634     -1800.7518     -2216.7293

ENERGY:     447     19914.2847     19416.0211      5722.2107       191.8641        -335769.4401     23282.7461         0.0000         0.0000     44816.5082        -222425.8052       163.0301   -267242.3134   -222046.8345       163.0301          -1993.3111     -2253.0602    921491.4634     -1993.3111     -2253.0602

ENERGY:     448     20187.5918     19583.6799      5722.5764       188.5554        -336503.1794     23303.8906         0.0000         0.0000     45065.6669        -222451.2184       163.9365   -267516.8852   -222059.3479       163.9365          -2372.1875     -2303.7897    921491.4634     -2372.1875     -2303.7897

ENERGY:     449     20877.4057     19832.6983      5723.5712       184.8596        -337500.9061     23334.5925         0.0000         0.0000     45101.1671        -222446.6118       164.0657   -267547.7788   -222047.7098       164.0657          -2827.1078     -2356.1406    921491.4634     -2827.1078     -2356.1406

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

ENERGY:     450     21754.4852     20108.1295      5724.4776       181.0897        -338419.3236     23364.6245         0.0000         0.0000     44854.3086        -222432.2085       163.1676   -267286.5171   -222048.7859       163.1676          -3116.6754     -2394.3894    921491.4634     -3116.6754     -2394.3894

ENERGY:     451     22355.5902     20357.7250      5724.7144       177.6517        -338952.0894     23381.8009         0.0000         0.0000     44542.6974        -222411.9099       162.0341   -266954.6073   -222048.8244       162.0341          -3074.2532     -2405.7796    921491.4634     -3074.2532     -2405.7796

ENERGY:     452     22246.2014     20536.0129      5723.8953       174.8859        -338927.1525     23378.0945         0.0000         0.0000     44452.9185        -222415.1440       161.7075   -266868.0625   -222059.6371       161.7075          -2659.9606     -2384.7567    921491.4634     -2659.9606     -2384.7567

ENERGY:     453     21399.8723     20641.1307      5722.2878       173.1350        -338392.7922     23354.5908         0.0000         0.0000     44683.7024        -222418.0731       162.5470   -267101.7756   -222043.5372       162.5470          -2048.3339     -2342.4667    921491.4634     -2048.3339     -2342.4667

ENERGY:     454     20248.3379     20654.1370      5720.2217       172.3637        -337567.1405     23320.6902         0.0000         0.0000     45008.1457        -222443.2443       163.7273   -267451.3900   -222041.8392       163.7273          -1453.4579     -2293.1449    921491.4634     -1453.4579     -2293.1449

ENERGY:     455     19486.7906     20584.7118      5718.4844       172.5169        -336790.6445     23290.4023         0.0000         0.0000     45086.5781        -222451.1604       164.0126   -267537.7385   -222040.8571       164.0126          -1151.8824     -2255.8571    921491.4634     -1151.8824     -2255.8571

ENERGY:     456     19493.3722     20440.6799      5717.7556       173.4248        -336350.1068     23274.9631         0.0000         0.0000     44811.4720        -222438.4392       163.0118   -267249.9112   -222055.3483       163.0118          -1305.5002     -2245.5821    921491.4634     -1305.5002     -2245.5821

ENERGY:     457     20047.4928     20251.9435      5718.5580       174.9241        -336395.8161     23277.8273         0.0000         0.0000     44521.8704        -222403.1999       161.9583   -266925.0703   -222049.4130       161.9583          -1906.4163     -2263.5011    921491.4634     -1906.4163     -2263.5011

ENERGY:     458     20585.8432     20019.2724      5720.7061       176.6081        -336835.0958     23294.7171         0.0000         0.0000     44632.7893        -222405.1596       162.3618   -267037.9489   -222051.2819       162.3618          -2684.6985     -2301.0426    921491.4634     -2684.6985     -2301.0426

ENERGY:     459     20903.4943     19784.9693      5724.0021       178.1985        -337468.1646     23318.6980         0.0000         0.0000     45113.9374        -222444.8650       164.1121   -267558.8024   -222053.1408       164.1121          -3350.5831     -2341.5796    921491.4634     -3350.5831     -2341.5796

TIMING: 460  CPU: 216.572, 0.45834/step  Wall: 216.572, 0.45834/step, 0.00509267 hours remaining, 3224.308594 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     21262.6139     19597.9068      5728.0971       179.4910        -338014.3772     23341.7997         0.0000         0.0000     45423.8573        -222480.6113       165.2395   -267904.4686   -222064.6833       165.2395          -3669.8203     -2365.2413    921491.4634     -3669.8203     -2365.2413

ENERGY:     461     21862.8764     19507.1081      5732.5753       180.4333        -338251.6221     23355.3930         0.0000         0.0000     45154.6145        -222458.6216       164.2601   -267613.2361   -222058.0503       164.2601          -3556.1669     -2361.1801    921491.4634     -3556.1669     -2361.1801

ENERGY:     462     22264.2257     19487.8116      5736.4823       180.9531        -337988.7175     23351.1079         0.0000         0.0000     44559.9299        -222408.2071       162.0968   -266968.1370   -222056.7210       162.0968          -2954.8203     -2323.4253    921491.4634     -2954.8203     -2323.4253

ENERGY:     463     21821.1791     19513.9023      5738.9361       181.1160        -337284.1032     23326.9469         0.0000         0.0000     44313.4580        -222388.5649       161.2002   -266702.0228   -222054.6238       161.2002          -2012.4427     -2264.0780    921491.4634     -2012.4427     -2264.0780

ENERGY:     464     20535.2460     19559.9278      5739.2518       181.0096        -336389.3847     23291.1932         0.0000         0.0000     44654.0276        -222428.7286       162.4391   -267082.7562   -222058.5731       162.4391          -1050.9232     -2205.5272    921491.4634     -1050.9232     -2205.5272

ENERGY:     465     19322.7829     19631.8859      5737.2899       180.7155        -335701.1537     23259.7380         0.0000         0.0000     45094.5695        -222474.1721       164.0417   -267568.7416   -222052.9389       164.0417           -512.3351     -2174.4012    921491.4634      -512.3351     -2174.4012

ENERGY:     466     19088.4512     19708.3583      5733.2107       180.2808        -335443.7725     23245.0591         0.0000         0.0000     45020.7916        -222467.6208       163.7733   -267488.4123   -222052.9787       163.7733           -630.3318     -2182.6715    921491.4634      -630.3318     -2182.6715

ENERGY:     467     19841.8070     19783.1742      5727.6704       179.7757        -335721.0946     23249.4516         0.0000         0.0000     44523.6674        -222415.5484       161.9649   -266939.2158   -222054.3496       161.9649          -1393.6033     -2232.5929    921491.4634     -1393.6033     -2232.5929

ENERGY:     468     20761.8481     19845.4939      5721.5089       179.2779        -336451.5655     23265.8110         0.0000         0.0000     44291.6595        -222385.9662       161.1209   -266677.6257   -222056.3589       161.1209          -2508.6717     -2314.1344    921491.4634     -2508.6717     -2314.1344

ENERGY:     469     21236.3015     19910.2017      5715.6824       178.8504        -337458.3188     23284.3946         0.0000         0.0000     44720.3212        -222412.5671       162.6802   -267132.8883   -222046.0748       162.6802          -3596.7410     -2405.7976    921491.4634     -3596.7410     -2405.7976

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

ENERGY:     470     21411.1732     19972.8929      5710.9491       178.5947        -338383.2492     23297.0656         0.0000         0.0000     45346.4582        -222466.1155       164.9580   -267812.5737   -222047.6087       164.9580          -4259.7000     -2477.6836    921491.4634     -4259.7000     -2477.6836

ENERGY:     471     21732.8679     20054.6830      5707.9626       178.5890        -338913.2435     23297.5067         0.0000         0.0000     45471.3373        -222470.2969       165.4122   -267941.6342   -222047.5358       165.4122          -4290.5689     -2504.3180    921491.4634     -4290.5689     -2504.3180

ENERGY:     472     22081.2361     20161.5547      5707.0091       178.9047        -338870.6752     23279.4473         0.0000         0.0000     45028.5304        -222433.9930       163.8014   -267462.5234   -222059.5059       163.8014          -3659.7368     -2479.9190    921491.4634     -3659.7368     -2479.9190

ENERGY:     473     21866.1361     20289.3422      5707.9843       179.6165        -338307.7176     23240.7345         0.0000         0.0000     44634.5181        -222389.3860       162.3681   -267023.9041   -222043.8541       162.3681          -2556.3623     -2408.1664    921491.4634     -2556.3623     -2408.1664

ENERGY:     474     20842.9703     20372.0982      5710.2160       180.7466        -337438.4538     23189.2329         0.0000         0.0000     44733.2314        -222409.9583       162.7272   -267143.1897   -222041.2621       162.7272          -1295.5532     -2316.2735    921491.4634     -1295.5532     -2316.2735

ENERGY:     475     19674.2080     20371.7671      5712.9876       182.2512        -336604.2300     23142.3799         0.0000         0.0000     45070.2145        -222450.4217       163.9531   -267520.6363   -222039.4531       163.9531           -344.6456     -2232.2133    921491.4634      -344.6456     -2232.2133

ENERGY:     476     19235.7862     20282.0272      5715.7683       184.0125        -336100.0892     23115.8447         0.0000         0.0000     45106.0640        -222460.5862       164.0835   -267566.6502   -222053.6138       164.0835            -92.4055     -2183.0659    921491.4634       -92.4055     -2183.0659

ENERGY:     477     19704.7249     20145.9812      5718.4976       185.9230        -336101.8780     23114.2921         0.0000         0.0000     44812.3217        -222420.1375       163.0149   -267232.4592   -222044.8412       163.0149           -667.4952     -2171.8235    921491.4634      -667.4952     -2171.8235

ENERGY:     478     20493.4774     19974.7639      5721.0254       187.7262        -336537.4029     23131.2442         0.0000         0.0000     44627.0343        -222402.1315       162.3409   -267029.1658   -222047.4107       162.3409          -1807.1610     -2198.7963    921491.4634     -1807.1610     -2198.7963

ENERGY:     479     21125.3057     19793.3959      5723.3295       189.2099        -337215.5833     23156.6754         0.0000         0.0000     44802.1588        -222425.5083       162.9779   -267227.6671   -222050.5460       162.9779          -3089.8522     -2246.7925    921491.4634     -3089.8522     -2246.7925

TIMING: 480  CPU: 225.724, 0.457617/step  Wall: 225.724, 0.457617/step, 0.00254232 hours remaining, 3224.308594 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     480     21624.0328     19623.1969      5725.3111       190.1900        -337854.6782     23181.5101         0.0000         0.0000     45051.6823        -222458.7551       163.8856   -267510.4374   -222064.6211       163.8856          -4077.7333     -2291.4899    921491.4634     -4077.7333     -2291.4899

ENERGY:     481     22092.4855     19510.0439      5727.0952       190.6351        -338199.2479     23196.7942         0.0000         0.0000     45041.3375        -222440.8564       163.8480   -267482.1940   -222052.5267       163.8480          -4466.2401     -2305.6739    921491.4634     -4466.2401     -2305.6739

ENERGY:     482     22186.3468     19466.6800      5728.4963       190.3598        -338044.5417     23192.7458         0.0000         0.0000     44865.8528        -222414.0602       163.2096   -267279.9129   -222051.4114       163.2096          -4059.3105     -2278.0622    921491.4634     -4059.3105     -2278.0622

ENERGY:     483     21553.1413     19511.5751      5729.5660       189.3226        -337426.2183     23165.8725         0.0000         0.0000     44861.8978        -222414.8431       163.1953   -267276.7408   -222048.7673       163.1953          -2964.1729     -2216.4122    921491.4634     -2964.1729     -2216.4122

ENERGY:     484     20460.8926     19631.1943      5730.2465       187.5455        -336590.8874     23126.1337         0.0000         0.0000     45003.6039        -222451.2711       163.7107   -267454.8749   -222059.8735       163.7107          -1565.2427     -2143.1851    921491.4634     -1565.2427     -2143.1851

ENERGY:     485     19688.7722     19800.2993      5730.5256       185.2458        -335902.5854     23092.8456         0.0000         0.0000     44955.5730        -222449.3239       163.5360   -267404.8969   -222045.9599       163.5360           -422.1570     -2086.8737    921491.4634      -422.1570     -2086.8737

ENERGY:     486     19602.5427     19954.8175      5729.7197       182.4662        -335612.3553     23080.3795         0.0000         0.0000     44645.9121        -222416.5175       162.4096   -267062.4296   -222044.6754       162.4096             87.3181     -2070.0983    921491.4634        87.3181     -2070.0983

ENERGY:     487     19881.0922     20072.0210      5727.4347       179.4360        -335846.4465     23091.0533         0.0000         0.0000     44503.3500        -222392.0593       161.8910   -266895.4093   -222045.2400       161.8910           -192.2345     -2106.8840    921491.4634      -192.2345     -2106.8840

ENERGY:     488     20125.2094     20156.1357      5723.5440       176.4338        -336552.5439     23118.8607         0.0000         0.0000     44827.0564        -222425.3039       163.0685   -267252.3603   -222057.1936       163.0685          -1145.7534     -2194.6681    921491.4634     -1145.7534     -2194.6681

ENERGY:     489     20526.8868     20236.4603      5718.5748       173.8639        -337540.4642     23156.7302         0.0000         0.0000     45266.1010        -222461.8471       164.6656   -267727.9481   -222045.6084       164.6656          -2511.2405     -2316.7067    921491.4634     -2511.2405     -2316.7067

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

ENERGY:     490     21410.7490     20292.9015      5712.8912       171.8438        -338458.1350     23196.4872         0.0000         0.0000     45213.5632        -222459.6991       164.4745   -267673.2623   -222048.2206       164.4745          -3823.4039     -2437.4155    921491.4634     -3823.4039     -2437.4155

ENERGY:     491     22430.4642     20312.1354      5707.3795       170.5404        -338984.5786     23226.0933         0.0000         0.0000     44733.0091        -222404.9566       162.7264   -267137.9658   -222049.4636       162.7264          -4629.6935     -2524.6214    921491.4634     -4629.6935     -2524.6214

ENERGY:     492     22612.9549     20289.6804      5702.9944       170.0207        -338937.5811     23232.7203         0.0000         0.0000     44542.1954        -222387.0149       162.0323   -266929.2103   -222060.3859       162.0323          -4606.8525     -2557.4729    921491.4634     -4606.8525     -2557.4729

ENERGY:     493     21558.2188     20260.7369      5700.7779       170.3200        -338358.0632     23214.0537         0.0000         0.0000     45033.8234        -222420.1325       163.8207   -267453.9559   -222046.5899       163.8207          -3796.3819     -2540.0995    921491.4634     -3796.3819     -2540.0995

ENERGY:     494     20068.3366     20225.0257      5700.9805       171.2193        -337454.3836     23183.0797         0.0000         0.0000     45622.2479        -222483.4938       165.9612   -268105.7417   -222044.0866       165.9612          -2500.8991     -2482.1067    921491.4634     -2500.8991     -2482.1067

ENERGY:     495     19383.2464     20186.8299      5703.5926       172.5416        -336566.9889     23159.4629         0.0000         0.0000     45484.1231        -222477.1924       165.4587   -267961.3155   -222041.5562       165.4587          -1249.6835     -2407.3054    921491.4634     -1249.6835     -2407.3054

ENERGY:     496     19722.4835     20130.6473      5708.0350       174.0933        -335998.7160     23154.2641         0.0000         0.0000     44699.5268        -222409.6659       162.6046   -267109.1927   -222049.0669       162.6046           -478.8995     -2343.4749    921491.4634      -478.8995     -2343.4749

ENERGY:     497     20212.6667     20059.9180      5713.4613       175.7242        -335952.5049     23166.3553         0.0000         0.0000     44261.0286        -222363.3509       161.0095   -266624.3795   -222042.7499       161.0095           -421.0229     -2316.7926    921491.4634      -421.0229     -2316.7926

ENERGY:     498     20182.0161     19957.1221      5718.5597       177.2604        -336366.4941     23189.3594         0.0000         0.0000     44728.2533        -222413.9232       162.7091   -267142.1765   -222044.5218       162.7091           -993.4676     -2331.6470    921491.4634      -993.4676     -2331.6470

ENERGY:     499     20158.0675     19847.7316      5722.4089       178.6361        -337058.4834     23219.2413         0.0000         0.0000     45439.2641        -222493.1338       165.2956   -267932.3979   -222047.2061       165.2956          -2020.8684     -2376.3388    921491.4634     -2020.8684     -2376.3388

Info: Benchmark time: 4 CPUs 0.457534 s/step 5.29553 days/ns 3224.31 MB memory
TIMING: 500  CPU: 234.806, 0.45408/step  Wall: 234.806, 0.45408/step, 0 hours remaining, 3224.308594 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     20974.8936     19756.6592      5724.4523       179.8271        -337741.4204     23251.1019         0.0000         0.0000     45359.0772        -222495.4090       165.0039   -267854.4862   -222061.0908       165.0039          -3197.5165     -2425.4139    921491.4634     -3197.5165     -2425.4139

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, 3229.566 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.566 MB of memory in use
====================================================

WallClock: 241.648483  CPUTime: 241.648483  Memory: 3229.566406 MB
[Partition 0][Node 0] End of program
Application 109674358 resources: utime ~949s, stime ~19s, Rss ~126880, inblocks ~67012, outblocks ~72238
Displaying status file:
verified
WALL=241.648483
CPU=241.648483
MEM=3229.566406

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

[workspace] $ /bin/sh -xe /tmp/jenkins15249627282756716583.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