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ENERGY:      82     23281.9358     18596.7908      5764.2397       189.9463        -336325.0807     23318.6737         0.0000         0.0000     42895.4652        -222278.0292       156.0419   -265173.4944   -222383.3809       156.0419          -3616.8099     -2297.6228    921491.4634     -3616.8099     -2297.6228

ENERGY:      83     17463.4115     17611.3784      5761.4800       185.4557        -334548.5448     23165.5264         0.0000         0.0000     47631.4998        -222729.7931       173.2703   -270361.2928   -222380.7998       173.2703          -2245.6201     -2209.9239    921491.4634     -2245.6201     -2209.9239

ENERGY:      84     15692.0180     17521.7594      5761.2958       180.7102        -333070.6344     23043.3534         0.0000         0.0000     48072.9174        -222798.5802       174.8761   -270871.4976   -222420.9192       174.8761          -1264.6407     -2119.1646    921491.4634     -1264.6407     -2119.1646

ENERGY:      85     19034.4748     18377.7082      5761.3316       176.5397        -332350.3364     22972.2187         0.0000         0.0000     43641.9416        -222386.1217       158.7574   -266028.0633   -222396.4597       158.7574          -1101.4912     -2031.8233    921491.4634     -1101.4912     -2031.8233

ENERGY:      86     22361.2996     19720.3241      5758.5583       173.6091        -332514.8438     22921.5212         0.0000         0.0000     39480.2342        -222099.2973       143.6182   -261579.5315   -222396.4728       143.6182          -1408.4309     -1992.0456    921491.4634     -1408.4309     -1992.0456

ENERGY:      87     21898.5873     20858.8153      5750.7775       172.4431        -333299.4429     22859.7331         0.0000         0.0000     39513.3018        -222245.7847       143.7385   -261759.0865   -222398.3222       143.7385          -1739.2136     -2002.6067    921491.4634     -1739.2136     -2002.6067

ENERGY:      88     19807.2124     21236.1263      5737.2297       173.3188        -334313.4194     22793.0785         0.0000         0.0000     42007.3339        -222559.1198       152.8111   -264566.4537   -222408.9127       152.8111          -2036.3959     -2043.8955    921491.4634     -2036.3959     -2043.8955

ENERGY:      89     20138.2922     20745.5547      5719.3133       176.3160        -335202.8321     22743.6988         0.0000         0.0000     43113.7497        -222565.9074       156.8360   -265679.6572   -222389.0012       156.8360          -2409.8246     -2071.1686    921491.4634     -2409.8246     -2071.1686

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

ENERGY:      90     22711.6048     19691.0677      5699.8921       181.1111        -335712.1130     22705.2745         0.0000         0.0000     42377.6758        -222345.4869       154.1583   -264723.1627   -222389.2091       154.1583          -2670.9832     -2080.5818    921491.4634     -2670.9832     -2080.5818

ENERGY:      91     23737.5988     18627.1145      5683.0577       187.2277        -335678.4155     22643.5818         0.0000         0.0000     42539.3830        -222260.4520       154.7466   -264799.8350   -222388.3579       154.7466          -2499.0953     -2078.8098    921491.4634     -2499.0953     -2078.8098

ENERGY:      92     21523.8220     18060.4536      5672.6738       194.0387        -335129.0785     22543.7115         0.0000         0.0000     44665.3078        -222469.0710       162.4801   -267134.3788   -222389.6060       162.4801          -1910.9683     -2078.9076    921491.4634     -1910.9683     -2078.9076

ENERGY:      93     18788.3597     18281.5995      5671.3717       200.9119        -334319.2924     22433.7892         0.0000         0.0000     46311.8833        -222631.3772       168.4699   -268943.2605   -222367.8863       168.4699          -1385.1718     -2068.2565    921491.4634     -1385.1718     -2068.2565

ENERGY:      94     18530.9327     19242.9914      5679.4418       207.1113        -333693.3061     22351.2077         0.0000         0.0000     45144.9170        -222536.7041       164.2248   -267681.6212   -222367.0866       164.2248          -1347.2600     -2063.4575    921491.4634     -1347.2600     -2063.4575

ENERGY:      95     20040.4585     20654.3436      5695.3527       212.0382        -333603.6977     22302.2586         0.0000         0.0000     42387.6996        -222311.5464       154.1948   -264699.2461   -222367.4635       154.1948          -1793.7082     -2083.6407    921491.4634     -1793.7082     -2083.6407

ENERGY:      96     20584.1064     22050.3788      5716.0483       215.1945        -334091.8990     22265.7317         0.0000         0.0000     40970.7075        -222289.7317       149.0402   -263260.4392   -222356.3661       149.0402          -2389.6990     -2142.8255    921491.4634     -2389.6990     -2142.8255

ENERGY:      97     19809.1309     22949.2011      5737.7476       216.2279        -334886.9638     22225.8322         0.0000         0.0000     41505.2396        -222443.5845       150.9847   -263948.8241   -222346.5815       150.9847          -2891.9374     -2214.1665    921491.4634     -2891.9374     -2214.1665

ENERGY:      98     19979.7556     22958.8353      5756.3117       214.8681        -335616.8429     22188.2114         0.0000         0.0000     41993.4225        -222525.4382       152.7605   -264518.8608   -222347.6398       152.7605          -3206.5490     -2272.3420    921491.4634     -3206.5490     -2272.3420

ENERGY:      99     22029.8951     22024.0795      5768.5777       211.0972        -336009.8227     22159.4701         0.0000         0.0000     41425.1768        -222391.5264       150.6934   -263816.7031   -222348.0705       150.6934          -3235.8098     -2296.7687    921491.4634     -3235.8098     -2296.7687

LDB: ============= START OF LOAD BALANCING ============== 54.582
LDB: Largest compute 200 load 0.430637 is 1.2% of average load 36.838561
LDB: Average compute 0.051606 is 0.1% of average load 36.838561
LDB: Partitioning computes with target load 3.683856
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.056191
LDB: ============== END OF LOAD BALANCING =============== 54.5842
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.585
Info: Initial time: 4 CPUs 0.472911 s/step 5.4735 days/ns 3221.64 MB memory
TIMING: 100  CPU: 48.2624, 0.472082/step  Wall: 48.2624, 0.472082/step, 0.0524535 hours remaining, 3221.636719 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     100     23587.3019     20475.3728      5773.0376       205.1509        -335896.4621     22125.7987         0.0000         0.0000     41455.8050        -222273.9951       150.8048   -263729.8000   -222326.1726       150.8048          -2788.3919     -2294.3880    921491.4634     -2788.3919     -2294.3880

ENERGY:     101     22287.2999     18933.8501      5770.3900       197.5201        -335238.2410     22065.3980         0.0000         0.0000     43590.2955        -222393.4874       158.5695   -265983.7830   -222319.4707       158.5695          -1880.2673     -2262.6846    921491.4634     -1880.2673     -2262.6846

ENERGY:     102     19420.3334     17951.6560      5762.8059       188.8891        -334088.2231     21980.7896         0.0000         0.0000     46153.7217        -222630.0274       167.8946   -268783.7491   -222317.3982       167.8946           -924.5794     -2215.2271    921491.4634      -924.5794     -2215.2271

ENERGY:     103     18429.6588     17794.2510      5753.5002       180.0833        -332765.4443     21898.9792         0.0000         0.0000     46061.5883        -222647.3834       167.5594   -268708.9718   -222315.0115       167.5594           -521.9323     -2162.1475    921491.4634      -521.9323     -2162.1475

ENERGY:     104     20135.5160     18313.1192      5745.4365       171.9705        -331716.6193     21838.6802         0.0000         0.0000     43114.8218        -222397.0750       156.8399   -265511.8968   -222300.0345       156.8399           -904.7452     -2132.5693    921491.4634      -904.7452     -2132.5693

ENERGY:     105     21674.8146     19112.5119      5740.5773       165.3638        -331353.5906     21791.8563         0.0000         0.0000     40663.3130        -222205.1536       147.9220   -262868.4666   -222297.2864       147.9220          -1781.0302     -2140.0925    921491.4634     -1781.0302     -2140.0925

ENERGY:     106     20688.3526     19760.1603      5739.0355       160.9482        -331684.6913     21743.4749         0.0000         0.0000     41270.8907        -222321.8292       150.1322   -263592.7199   -222299.8105       150.1322          -2687.8655     -2192.8737    921491.4634     -2687.8655     -2192.8737

ENERGY:     107     18828.1851     20041.3660      5739.7936       159.1631        -332486.5662     21693.8616         0.0000         0.0000     43452.4230        -222571.7738       158.0680   -266024.1968   -222302.3926       158.0680          -3435.4056     -2264.9714    921491.4634     -3435.4056     -2264.9714

ENERGY:     108     19374.7526     19955.6335      5740.9974       160.1493        -333435.9265     21654.4583         0.0000         0.0000     43952.1728        -222597.7627       159.8859   -266549.9355   -222305.0566       159.8859          -3989.5484     -2325.7046    921491.4634     -3989.5484     -2325.7046

ENERGY:     109     22394.0521     19651.8555      5740.7059       163.7566        -334323.6679     21623.9120         0.0000         0.0000     42380.9038        -222368.4822       154.1701   -264749.3859   -222289.2484       154.1701          -4162.2878     -2354.5143    921491.4634     -4162.2878     -2354.5143

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

ENERGY:     110     24310.7312     19315.3191      5736.8740       169.5643        -334907.1601     21583.6717         0.0000         0.0000     41568.0397        -222222.9601       151.2131   -263790.9999   -222288.3779       151.2131          -3608.1963     -2356.1915    921491.4634     -3608.1963     -2356.1915

ENERGY:     111     22660.5936     19186.3867      5728.6091       176.9885        -335028.8262     21518.8536         0.0000         0.0000     43385.4034        -222371.9912       157.8242   -265757.3946   -222286.8998       157.8242          -2331.3777     -2338.2312    921491.4634     -2331.3777     -2338.2312

ENERGY:     112     19381.8199     19463.5170      5716.4074       185.3624        -334677.6372     21440.9489         0.0000         0.0000     45860.8184        -222628.7633       166.8291   -268489.5817   -222302.4567       166.8291           -894.2292     -2309.1963    921491.4634      -894.2292     -2309.1963

ENERGY:     113     18216.1580     20180.8084      5702.4491       194.0323        -334046.4823     21376.2232         0.0000         0.0000     45761.5815        -222615.2299       166.4681   -268376.8114   -222273.7400       166.4681            -55.6424     -2273.8625    921491.4634       -55.6424     -2273.8625

ENERGY:     114     19843.9971     21062.4095      5689.3793       202.2945        -333472.4287     21337.7637         0.0000         0.0000     42964.6870        -222371.8976       156.2937   -265336.5846   -222272.2451       156.2937           -128.5963     -2261.6571    921491.4634      -128.5963     -2261.6571

ENERGY:     115     21448.4484     21679.6563      5680.2429       209.5308        -333239.9678     21316.4507         0.0000         0.0000     40710.1056        -222195.5331       148.0922   -262905.6386   -222272.7006       148.0922           -905.3247     -2296.5621    921491.4634      -905.3247     -2296.5621

ENERGY:     116     20838.2582     21694.4197      5677.2615       215.2237        -333429.0368     21301.4964         0.0000         0.0000     41385.0930        -222317.2844       150.5476   -263702.3774   -222276.5258       150.5476          -2000.5239     -2380.1424    921491.4634     -2000.5239     -2380.1424

ENERGY:     117     19309.7303     21105.1712      5681.4214       219.0426        -333858.2254     21295.0741         0.0000         0.0000     43733.0002        -222514.7855       159.0886   -266247.7857   -222254.7026       159.0886          -3196.9893     -2479.5443    921491.4634     -3196.9893     -2479.5443

ENERGY:     118     19488.7485     20180.1711      5691.5867       220.7069        -334305.8418     21303.6951         0.0000         0.0000     44852.5144        -222568.4191       163.1611   -267420.9335   -222257.5958       163.1611          -4287.8518     -2560.8627    921491.4634     -4287.8518     -2560.8627

ENERGY:     119     21608.8169     19327.4368      5705.7183       220.1523        -334582.5767     21318.6506         0.0000         0.0000     43971.5398        -222430.2618       159.9564   -266401.8016   -222258.7220       159.9564          -4948.0952     -2603.4635    921491.4634     -4948.0952     -2603.4635

LDB: ============= START OF LOAD BALANCING ============== 64.0067
LDB: ============== END OF LOAD BALANCING =============== 64.0067
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.0072
TIMING: 120  CPU: 57.6821, 0.470985/step  Wall: 57.6821, 0.470985/step, 0.0497151 hours remaining, 3221.785156 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     23278.7482     18843.5008      5721.1112       217.5091        -334559.3218     21317.8986         0.0000         0.0000     42838.0030        -222342.5510       155.8329   -265180.5540   -222260.9693       155.8329          -4802.3838     -2609.8233    921491.4634     -4802.3838     -2609.8233

ENERGY:     121     22753.8286     18833.9839      5735.1155       213.1885        -334109.3885     21287.1663         0.0000         0.0000     42902.9081        -222383.1976       156.0690   -265286.1058   -222238.8456       156.0690          -3789.7329     -2573.0323    921491.4634     -3789.7329     -2573.0323

ENERGY:     122     20911.3203     19183.7910      5744.9150       207.6394        -333246.0908     21235.0875         0.0000         0.0000     43471.2677        -222492.0698       158.1365   -265963.3375   -222236.2048       158.1365          -2259.2350     -2503.9465    921491.4634     -2259.2350     -2503.9465

ENERGY:     123     19716.6565     19702.2261      5748.9495       201.5074        -332195.6663     21181.3172         0.0000         0.0000     43159.1486        -222485.8610       157.0011   -265645.0096   -222233.3016       157.0011           -827.7757     -2423.1751    921491.4634      -827.7757     -2423.1751

ENERGY:     124     19701.7329     20151.8502      5747.1965       195.4812        -331340.9823     21138.0467         0.0000         0.0000     42008.6528        -222398.0219       152.8159   -264406.6747   -222234.8510       152.8159              8.3516     -2371.2952    921491.4634         8.3516     -2371.2952

ENERGY:     125     19961.8489     20319.7042      5741.5018       190.2907        -331002.3874     21106.9631         0.0000         0.0000     41347.6159        -222334.4629       150.4113   -263682.0788   -222218.5353       150.4113             16.1239     -2370.5229    921491.4634        16.1239     -2370.5229

ENERGY:     126     19913.8781     20060.3740      5734.4100       186.3237        -331257.3387     21089.4917         0.0000         0.0000     41888.6055        -222384.2557       152.3792   -264272.8612   -222220.0405       152.3792           -757.3346     -2430.8872    921491.4634      -757.3346     -2430.8872

ENERGY:     127     20034.1247     19457.5518      5728.8730       183.8512        -331985.2681     21088.4979         0.0000         0.0000     43047.2720        -222445.0973       156.5941   -265492.3693   -222223.2519       156.5941          -2122.5054     -2533.3235    921491.4634     -2122.5054     -2533.3235

ENERGY:     128     20681.9268     18818.3078      5727.0308       182.9174        -332977.2827     21101.0436         0.0000         0.0000     44006.3125        -222459.7438       160.0829   -266466.0563   -222232.5707       160.0829          -3698.9566     -2655.1908    921491.4634     -3698.9566     -2655.1908

ENERGY:     129     21368.2885     18554.7976      5729.8505       183.4688        -333997.8249     21115.0501         0.0000         0.0000     44607.0894        -222439.2802       162.2683   -267046.3695   -222215.2566       162.2683          -4993.9820     -2763.9222    921491.4634     -4993.9820     -2763.9222

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

ENERGY:     130     21553.6087     18898.7762      5736.4508       185.0194        -334776.0136     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     21530.9955     19804.6628      5745.0872       187.0957        -335083.2643     21105.7069         0.0000         0.0000     44221.5102        -222488.2059       160.8657   -266709.7161   -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     42732.1266        -222437.0591       155.4477   -265169.1857   -222222.8147       155.4477          -4015.6410     -2856.5553    921491.4634     -4015.6410     -2856.5553

ENERGY:     133     21569.7009     21939.4306      5759.4053       191.1377        -334187.7138     21049.8506         0.0000         0.0000     41346.5715        -222331.6172       150.4075   -263678.1887   -222209.0243       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     41320.1608        -222341.1456       150.3114   -263661.3064   -222206.0448       150.3114           -846.9780     -2759.4267    921491.4634      -846.9780     -2759.4267

ENERGY:     135     18735.1492     22221.9401      5757.7067       193.2251        -332860.3440     20999.0422         0.0000         0.0000     42497.1276        -222456.1531       154.5929   -264953.2807   -222204.4871       154.5929            191.9083     -2745.1432    921491.4634       191.9083     -2745.1432

ENERGY:     136     18381.4539     21453.0791      5750.0867       193.4037        -332655.7487     21006.3294         0.0000         0.0000     43348.3540        -222523.0419       157.6894   -265871.3958   -222211.0694       157.6894            198.1851     -2776.3542    921491.4634       198.1851     -2776.3542

ENERGY:     137     19975.5715     20347.8313      5740.3098       193.2572        -332832.5918     21040.1066         0.0000         0.0000     43092.4469        -222443.0684       156.7585   -265535.5153   -222209.8938       156.7585           -927.2502     -2841.0684    921491.4634      -927.2502     -2841.0684

ENERGY:     138     21874.8524     19195.4801      5730.8549       192.8766        -333203.4343     21083.5324         0.0000         0.0000     42784.9639        -222340.8740       155.6399   -265125.8379   -222213.1816       155.6399          -2704.7055     -2927.3525    921491.4634     -2704.7055     -2927.3525

ENERGY:     139     22116.0295     18330.1124      5724.2506       192.4679        -333575.3362     21115.6332         0.0000         0.0000     43705.6789        -222391.1636       158.9892   -266096.8425   -222217.3489       158.9892          -4443.4107     -3015.1528    921491.4634     -4443.4107     -3015.1528

TIMING: 140  CPU: 67.0973, 0.470761/step  Wall: 67.0973, 0.470761/step, 0.0470761 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     20992.5976     17997.1577      5722.1741       192.2140        -333726.9442     21127.4061         0.0000         0.0000     45144.2513        -222551.1434       164.2224   -267695.3947   -222224.0363       164.2224          -5617.7627     -3080.3638    921491.4634     -5617.7627     -3080.3638

ENERGY:     141     20605.2147     18251.9195      5725.3083       192.2642        -333525.1324     21120.3060         0.0000         0.0000     45039.8864        -222590.2333       163.8427   -267630.1197   -222215.3921       163.8427          -6017.5038     -3087.0005    921491.4634     -6017.5038     -3087.0005

ENERGY:     142     21702.7399     18860.4298      5732.9228       192.6003        -332879.0280     21093.2714         0.0000         0.0000     42868.0674        -222428.9964       155.9422   -265297.0638   -222213.3921       155.9422          -5532.0376     -3029.5546    921491.4634     -5532.0376     -3029.5546

ENERGY:     143     22457.6179     19468.7636      5743.5741       193.1827        -331957.5932     21040.0377         0.0000         0.0000     40797.9947        -222256.4225       148.4119   -263054.4172   -222209.6225       148.4119          -4179.8277     -2928.5086    921491.4634     -4179.8277     -2928.5086

ENERGY:     144     21007.3339     19787.0058      5755.2166       193.9151        -331097.8395     20965.2215         0.0000         0.0000     41087.3101        -222301.8364       149.4643   -263389.1465   -222194.0940       149.4643          -2265.2408     -2825.3503    921491.4634     -2265.2408     -2825.3503

ENERGY:     145     18390.7600     19760.7603      5765.7577       194.6436        -330692.1921     20892.9233         0.0000         0.0000     43191.0817        -222496.2655       157.1173   -265687.3472   -222180.9592       157.1173           -495.5029     -2742.5238    921491.4634      -495.5029     -2742.5238

ENERGY:     146     17494.3905     19517.0965      5773.0763       195.1974        -330883.4474     20850.7305         0.0000         0.0000     44468.0626        -222584.8936       161.7626   -267052.9562   -222180.0852       161.7626            380.5832     -2698.3695    921491.4634       380.5832     -2698.3695

ENERGY:     147     19349.0814     19284.4053      5776.1299       195.3841        -331633.2791     20843.7952         0.0000         0.0000     43729.9298        -222454.5533       159.0775   -266184.4831   -222180.7855       159.0775             12.4496     -2697.6200    921491.4634        12.4496     -2697.6200

ENERGY:     148     21731.1608     19240.1452      5775.1361       195.0156        -332748.3461     20852.0477         0.0000         0.0000     42647.1434        -222307.6972       155.1386   -264954.8406   -222173.9043       155.1386          -1313.5162     -2742.2255    921491.4634     -1313.5162     -2742.2255

ENERGY:     149     22154.0981     19476.6233      5771.6403       193.9272        -333952.9657     20853.5364         0.0000         0.0000     43165.2620        -222337.8785       157.0234   -265503.1404   -222149.8012       157.0234          -2998.4811     -2814.2281    921491.4634     -2998.4811     -2814.2281

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

ENERGY:     150     21015.8992     19956.3836      5767.3089       192.0924        -334899.3755     20845.5771         0.0000         0.0000     44606.5897        -222515.5246       162.2665   -267122.1142   -222153.2667       162.2665          -4472.9374     -2881.9211    921491.4634     -4472.9374     -2881.9211

ENERGY:     151     20656.1100     20586.9277      5763.7530       189.5631        -335303.4338     20835.7247         0.0000         0.0000     44710.6378        -222560.7177       162.6450   -267271.3554   -222155.1381       162.6450          -5407.8406     -2907.6331    921491.4634     -5407.8406     -2907.6331

ENERGY:     152     21757.0222     21203.4203      5761.8055       186.4838        -335072.1088     20820.7501         0.0000         0.0000     42914.6704        -222427.9564       156.1118   -265342.6268   -222175.0516       156.1118          -5552.0272     -2878.0876    921491.4634     -5552.0272     -2878.0876

ENERGY:     153     22396.4536     21618.6022      5761.5688       183.0547        -334307.6859     20787.1625         0.0000         0.0000     41296.2809        -222264.5632       150.2245   -263560.8441   -222152.0204       150.2245          -4765.4777     -2800.4122    921491.4634     -4765.4777     -2800.4122

ENERGY:     154     20952.1343     21640.3346      5761.9239       179.5647        -333344.9134     20735.3659         0.0000         0.0000     41746.1290        -222329.4609       151.8609   -264075.5899   -222148.7916       151.8609          -3178.1875     -2707.3606    921491.4634     -3178.1875     -2707.3606

ENERGY:     155     18734.5491     21249.5939      5761.4993       176.3183        -332564.0954     20691.4724         0.0000         0.0000     43448.4574        -222502.2052       158.0535   -265950.6625   -222145.9855       158.0535          -1408.3064     -2623.9032    921491.4634     -1408.3064     -2623.9032

ENERGY:     156     18312.4483     20599.9072      5758.8570       173.6449        -332218.9144     20684.3829         0.0000         0.0000     44137.5522        -222552.1217       160.5603   -266689.6740   -222166.8047       160.5603           -219.5096     -2571.5313    921491.4634      -219.5096     -2571.5313

ENERGY:     157     20043.0837     19943.2664      5753.0947       171.8900        -332363.0656     20715.7865         0.0000         0.0000     43325.6935        -222410.2509       157.6070   -265735.9444   -222155.5008       157.6070            -38.8544     -2554.7665    921491.4634       -38.8544     -2554.7665

ENERGY:     158     21695.0846     19425.3238      5743.5667       171.3409        -332829.8100     20761.5805         0.0000         0.0000     42713.6821        -222319.2314       155.3806   -265032.9134   -222157.3219       155.3806           -715.5936     -2586.7970    921491.4634      -715.5936     -2586.7970

ENERGY:     159     21695.6536     19084.6409      5730.9315       172.1899        -333376.4005     20800.7930         0.0000         0.0000     43483.6004        -222408.5911       158.1814   -265892.1916   -222160.0968       158.1814          -1882.1014     -2660.7875    921491.4634     -1882.1014     -2660.7875

TIMING: 160  CPU: 76.503, 0.470285/step  Wall: 76.503, 0.470285/step, 0.0444158 hours remaining, 3222.242188 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     18859.3046      5717.0749       174.4916        -333735.9155     20833.5472         0.0000         0.0000     44515.8596        -222542.3533       161.9365   -267058.2129   -222175.6786       161.9365          -3202.8706     -2752.7604    921491.4634     -3202.8706     -2752.7604

ENERGY:     161     21561.6001     18685.5960      5704.9782       178.2042        -333710.7597     20865.7133         0.0000         0.0000     44220.7113        -222493.9566       160.8628   -266714.6680   -222160.9738       160.8628          -4385.1102     -2823.4852    921491.4634     -4385.1102     -2823.4852

ENERGY:     162     22512.8124     18508.1494      5697.2826       183.0024        -333202.6497     20887.8857         0.0000         0.0000     43070.6068        -222342.9104       156.6790   -265413.5172   -222161.4906       156.6790          -5004.1554     -2859.8871    921491.4634     -5004.1554     -2859.8871

ENERGY:     163     21937.9851     18346.8659      5696.1509       188.4544        -332368.8225     20884.6196         0.0000         0.0000     43005.6962        -222309.0504       156.4429   -265314.7466   -222160.7801       156.4429          -4776.8219     -2868.7270    921491.4634     -4776.8219     -2868.7270

ENERGY:     164     19652.8065     18261.0402      5702.5306       194.0206        -331567.4470     20861.9109         0.0000         0.0000     44426.5344        -222468.6038       161.6115   -266895.1382   -222170.9033       161.6115          -3836.1732     -2870.4449    921491.4634     -3836.1732     -2870.4449

ENERGY:     165     18074.0951     18343.8152      5716.1638       199.2019        -331183.0467     20849.6743         0.0000         0.0000     45425.8564        -222574.2400       165.2468   -268000.0964   -222153.1697       165.2468          -2737.5185     -2867.1447    921491.4634     -2737.5185     -2867.1447

ENERGY:     166     18979.7068     18650.1656      5734.9735       203.3281        -331407.1004     20870.8940         0.0000         0.0000     44483.6890        -222484.3434       161.8194   -266968.0325   -222151.2326       161.8194          -1964.3635     -2870.3839    921491.4634     -1964.3635     -2870.3839

ENERGY:     167     21026.8305     19216.2869      5755.9248       205.8794        -332212.1862     20917.6389         0.0000         0.0000     42775.8063        -222313.8195       155.6066   -265089.6258   -222150.5297       155.6066          -1671.2499     -2889.5868    921491.4634     -1671.2499     -2889.5868

ENERGY:     168     21619.4181     19999.6891      5775.3367       206.4584        -333382.4928     20963.4338         0.0000         0.0000     42492.3351        -222325.8217       154.5754   -264818.1568   -222149.7708       154.5754          -1735.9905     -2933.5976    921491.4634     -1735.9905     -2933.5976

ENERGY:     169     20648.4665     20870.4070      5789.9166       204.9287        -334596.5072     20994.5723         0.0000         0.0000     43600.1909        -222488.0252       158.6055   -266088.2161   -222133.5316       158.6055          -2095.8777     -2988.7947    921491.4634     -2095.8777     -2988.7947

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

ENERGY:     170     20485.0014     21574.3801      5797.0542       201.1981        -335480.2503     21017.8094         0.0000         0.0000     43834.2688        -222570.5383       159.4570   -266404.8070   -222135.2421       159.4570          -2696.1968     -3030.4960    921491.4634     -2696.1968     -3030.4960

ENERGY:     171     22225.3640     21884.1726      5796.1347       195.5169        -335757.0015     21036.7488         0.0000         0.0000     42205.8539        -222413.2105       153.5333   -264619.0644   -222135.5893       153.5333          -3373.1626     -3035.3578    921491.4634     -3373.1626     -3035.3578

ENERGY:     172     23612.5240     21689.2904      5788.4217       188.3823        -335345.7506     21036.2039         0.0000         0.0000     40787.7257        -222243.2027       148.3745   -263030.9283   -222132.3043       148.3745          -3754.4378     -3004.4812    921491.4634     -3754.4378     -3004.4812

ENERGY:     173     22089.5490     21081.4670      5776.7002       180.5475        -334414.6775     21003.0505         0.0000         0.0000     41986.3986        -222296.9647       152.7350   -264283.3633   -222121.1461       152.7350          -3608.5985     -2944.3814    921491.4634     -3608.5985     -2944.3814

ENERGY:     174     18699.8471     20250.6915      5763.7521       172.7179        -333314.9339     20954.5022         0.0000         0.0000     44924.4953        -222548.9278       163.4230   -267473.4231   -222120.6680       163.4230          -3086.0086     -2871.4630    921491.4634     -3086.0086     -2871.4630

ENERGY:     175     17219.9374     19455.5734      5752.1494       165.6559        -332464.6994     20928.3118         0.0000         0.0000     46291.0145        -222652.0570       168.3940   -268943.0715   -222120.1887       168.3940          -2676.4054     -2794.4451    921491.4634     -2676.4054     -2794.4451

ENERGY:     176     19195.1037     18891.7628      5743.5896       160.0071        -332124.2126     20943.2095         0.0000         0.0000     44722.5121        -222468.0277       162.6882   -267190.5398   -222127.3369       162.6882          -2658.3220     -2727.5044    921491.4634     -2658.3220     -2727.5044

ENERGY:     177     21863.3195     18664.1735      5738.9484       156.2659        -332371.2411     20981.6518         0.0000         0.0000     42714.2625        -222252.6195       155.3827   -264966.8820   -222125.5136       155.3827          -2870.6846     -2681.8089    921491.4634     -2870.6846     -2681.8089

ENERGY:     178     21917.7900     18733.9559      5737.6245       154.5770        -332975.2975     21015.2133         0.0000         0.0000     43101.1544        -222314.9824       156.7902   -265416.1368   -222126.1321       156.7902          -2936.2256     -2665.7682    921491.4634     -2936.2256     -2665.7682

ENERGY:     179     20058.5720     19018.0840      5738.2698       154.9022        -333648.1818     21038.3004         0.0000         0.0000     45070.9164        -222569.1371       163.9556   -267640.0535   -222127.1793       163.9556          -2805.2708     -2668.3444    921491.4634     -2805.2708     -2668.3444

TIMING: 180  CPU: 85.8934, 0.46952/step  Wall: 85.8934, 0.46952/step, 0.0417351 hours remaining, 3222.242188 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     19770.2943     19384.7965      5738.8341       156.9935        -334084.3526     21065.2916         0.0000         0.0000     45324.2214        -222643.9213       164.8771   -267968.1426   -222142.6345       164.8771          -2684.8630     -2671.3561    921491.4634     -2684.8630     -2671.3561

ENERGY:     181     22122.8093     19693.8084      5737.3498       160.4696        -334134.1970     21097.1423         0.0000         0.0000     42906.0429        -222416.5747       156.0804   -265322.6176   -222134.4683       156.0804          -2655.0378     -2656.7563    921491.4634     -2655.0378     -2656.7563

ENERGY:     182     23922.3455     19800.0774      5732.0748       164.8150        -333691.2985     21109.5294         0.0000         0.0000     40770.0179        -222192.4385       148.3101   -262962.4565   -222132.7636       148.3101          -2461.5986     -2635.7203    921491.4634     -2461.5986     -2635.7203

ENERGY:     183     22149.3485     19677.1535      5722.7616       169.5349        -332921.8739     21084.4912         0.0000         0.0000     41834.8234        -222283.7608       152.1836   -264118.5842   -222131.2591       152.1836          -1990.8045     -2626.5157    921491.4634     -1990.8045     -2626.5157

ENERGY:     184     18376.8755     19424.9917      5710.5468       174.1844        -332181.9081     21042.4479         0.0000         0.0000     44880.5527        -222572.3090       163.2631   -267452.8617   -222144.6142       163.2631          -1576.6175     -2645.2274    921491.4634     -1576.6175     -2645.2274

ENERGY:     185     16957.7743     19234.6874      5697.7241       178.4155        -331895.6962     21023.9444         0.0000         0.0000     46149.4988        -222653.6518       167.8792   -268803.1506   -222128.1656       167.8792          -1752.9882     -2679.2077    921491.4634     -1752.9882     -2679.2077

ENERGY:     186     19266.0404     19234.9572      5686.4352       181.9571        -332240.0939     21043.7460         0.0000         0.0000     44391.5888        -222435.3691       161.4844   -266826.9579   -222129.2887       161.4844          -2596.4732     -2731.4263    921491.4634     -2596.4732     -2731.4263

ENERGY:     187     22073.2967     19471.4304      5678.7398       184.6336        -333156.1128     21076.9265         0.0000         0.0000     42449.0056        -222222.0801       154.4178   -264671.0857   -222130.9079       154.4178          -3641.8536     -2802.0866    921491.4634     -3641.8536     -2802.0866

ENERGY:     188     22101.1830     19886.6774      5676.0120       186.3502        -334382.7613     21093.9045         0.0000         0.0000     43113.1615        -222325.4726       156.8338   -265438.6341   -222135.3908       156.8338          -4316.2656     -2887.0591    921491.4634     -4316.2656     -2887.0591

ENERGY:     189     20394.2463     20391.8602      5678.8863       187.1154        -335558.5041     21096.5841         0.0000         0.0000     45245.6387        -222564.1731       164.5912   -267809.8119   -222116.4324       164.5912          -4451.6371     -2950.0786    921491.4634     -4451.6371     -2950.0786

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

ENERGY:     190     20342.0726     20848.4448      5686.3598       187.0164        -336318.7432     21106.5488         0.0000         0.0000     45533.2634        -222615.0375       165.6375   -268148.3009   -222116.1590       165.6375          -4141.9211     -2962.8209    921491.4634     -4141.9211     -2962.8209

ENERGY:     191     22534.8504     21157.2825      5696.5257       186.2614        -336419.5250     21124.8645         0.0000         0.0000     43330.7337        -222389.0067       157.6253   -265719.7404   -222114.1141       157.6253          -3471.5976     -2915.5481    921491.4634     -3471.5976     -2915.5481

ENERGY:     192     23768.4829     21244.3746      5706.8010       185.1520        -335814.4790     21125.1405         0.0000         0.0000     41560.2538        -222224.2742       151.1848   -263784.5280   -222108.6419       151.1848          -2412.4654     -2830.7902    921491.4634     -2412.4654     -2830.7902

ENERGY:     193     21710.8593     21097.1071      5714.9848       184.0569        -334711.3257     21092.9043         0.0000         0.0000     42578.8348        -222332.5783       154.8901   -264911.4131   -222093.8904       154.8901          -1181.4693     -2735.1545    921491.4634     -1181.4693     -2735.1545

ENERGY:     194     18383.3648     20711.5281      5719.3482       183.2863        -333492.4630     21054.1041         0.0000         0.0000     44867.8136        -222573.0180       163.2168   -267440.8316   -222092.1689       163.2168           -314.8314     -2651.4481    921491.4634      -314.8314     -2651.4481

ENERGY:     195     17581.7010     20169.9814      5719.7968       183.0839        -332603.8308     21048.2210         0.0000         0.0000     45307.7485        -222593.2981       164.8171   -267901.0466   -222091.6062       164.8171           -398.0877     -2592.7755    921491.4634      -398.0877     -2592.7755

ENERGY:     196     19755.8661     19594.9319      5717.4229       183.5644        -332319.6950     21082.8580         0.0000         0.0000     43603.6155        -222381.4362       158.6180   -265985.0517   -222096.3128       158.6180          -1480.5940     -2574.8092    921491.4634     -1480.5940     -2574.8092

ENERGY:     197     21700.3670     19122.7580      5714.1451       184.7200        -332668.2731     21129.4589         0.0000         0.0000     42574.3654        -222242.4588       154.8738   -264816.8242   -222086.7180       154.8738          -3040.7437     -2596.5494    921491.4634     -3040.7437     -2596.5494

ENERGY:     198     21224.0061     18800.3006      5711.3574       186.3640        -333385.4999     21161.1535         0.0000         0.0000     43911.2862        -222391.0321       159.7372   -266302.3183   -222090.4392       159.7372          -4381.6809     -2646.7679    921491.4634     -4381.6809     -2646.7679

ENERGY:     199     20113.4048     18634.4041      5710.3429       188.2374        -334151.8588     21182.1778         0.0000         0.0000     45722.9587        -222600.3331       166.3276   -268323.2918   -222093.2751       166.3276          -5152.2286     -2691.5412    921491.4634     -5152.2286     -2691.5412

LDB: ============= START OF LOAD BALANCING ============== 101.613
LDB: Largest compute 200 load 0.426792 is 1.2% of average load 36.659953
LDB: Average compute 0.051345 is 0.1% of average load 36.659953
LDB: TIME 101.615 LOAD: AVG 36.66 MAX 37.6055  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.61 MB
LDB: TIME 101.617 LOAD: AVG 36.66 MAX 37.52  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.61 MB
LDB: ============== END OF LOAD BALANCING =============== 101.619
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.622
Info: Initial time: 4 CPUs 0.470261 s/step 5.44283 days/ns 3223.34 MB memory
TIMING: 200  CPU: 95.2983, 0.470244/step  Wall: 95.2983, 0.470244/step, 0.039187 hours remaining, 3223.335938 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     18595.6351      5711.8747       190.0258        -334670.2813     21209.9249         0.0000         0.0000     45319.1600        -222569.9773       164.8586   -267889.1373   -222114.5246       164.8586          -5241.8525     -2703.6812    921491.4634     -5241.8525     -2703.6812

ENERGY:     201     23380.1029     18674.3335      5716.2802       191.4189        -334751.7134     21239.1342         0.0000         0.0000     43222.4695        -222327.9743       157.2315   -265550.4438   -222100.1079       157.2315          -4546.2004     -2661.1900    921491.4634     -4546.2004     -2661.1900

ENERGY:     202     23622.8116     18850.8452      5722.5980       192.1474        -334305.3009     21243.2753         0.0000         0.0000     42432.5587        -222241.0648       154.3580   -264673.6235   -222096.8292       154.3580          -3005.0518     -2588.0013    921491.4634     -3005.0518     -2588.0013

ENERGY:     203     20743.8945     19130.0392      5729.2400       192.0764        -333501.9375     21215.8255         0.0000         0.0000     44059.6985        -222431.1635       160.2771   -266490.8620   -222093.6428       160.2771          -1046.8257     -2512.4435    921491.4634     -1046.8257     -2512.4435

ENERGY:     204     17862.6124     19486.9558      5734.1463       191.2124        -332722.2203     21188.8404         0.0000         0.0000     45629.4718        -222628.9812       165.9875   -268258.4530   -222116.7004       165.9875            452.9933     -2462.2930    921491.4634       452.9933     -2462.2930

ENERGY:     205     18189.0790     19868.9416      5735.7153       189.6741        -332398.2554     21197.9187         0.0000         0.0000     44690.7148        -222526.2120       162.5725   -267216.9268   -222099.8063       162.5725            731.8535     -2447.6353    921491.4634       731.8535     -2447.6353

ENERGY:     206     20668.8900     20170.9987      5732.9811       187.6404        -332716.3438     21241.8392         0.0000         0.0000     42439.0584        -222274.9359       154.3816   -264713.9943   -222100.3400       154.3816           -230.6568     -2488.2937    921491.4634      -230.6568     -2488.2937

ENERGY:     207     21693.8031     20338.2892      5726.5434       185.3060        -333603.9794     21289.9002         0.0000         0.0000     42143.6913        -222226.4462       153.3072   -264370.1375   -222103.0935       153.3072          -1896.3478     -2585.9683    921491.4634     -1896.3478     -2585.9683

ENERGY:     208     20293.2703     20371.8904      5718.1572       182.8654        -334789.2380     21322.2411         0.0000         0.0000     44428.6269        -222472.1867       161.6191   -266900.8136   -222122.6316       161.6191          -3669.0642     -2719.7951    921491.4634     -3669.0642     -2719.7951

ENERGY:     209     19428.8171     20325.0058      5710.3389       180.5135        -335910.2415     21349.5045         0.0000         0.0000     46273.6800        -222642.3817       168.3309   -268916.0617   -222106.7902       168.3309          -5197.7274     -2836.6305    921491.4634     -5197.7274     -2836.6305

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

ENERGY:     210     21385.1734     20194.2568      5705.3139       178.4614        -336615.7770     21385.1097         0.0000         0.0000     45251.4334        -222516.0283       164.6123   -267767.4618   -222108.2018       164.6123          -6091.3663     -2896.2627    921491.4634     -6091.3663     -2896.2627

ENERGY:     211     24099.1927     19985.8631      5704.9373       176.9105        -336667.8928     21415.1478         0.0000         0.0000     43031.7285        -222254.1130       156.5376   -265285.8415   -222106.8543       156.5376          -5900.2977     -2885.1010    921491.4634     -5900.2977     -2885.1010

ENERGY:     212     23739.2708     19730.8221      5710.0295       176.0352        -336013.6227     21412.5984         0.0000         0.0000     42995.1638        -222249.7029       156.4046   -265244.8667   -222104.2321       156.4046          -4424.1002     -2820.3210    921491.4634     -4424.1002     -2820.3210

ENERGY:     213     20150.2160     19524.5248      5720.1722       175.9508        -334874.6444     21380.5553         0.0000         0.0000     45418.7805        -222504.4449       165.2210   -267923.2254   -222097.3837       165.2210          -2174.3117     -2725.0841    921491.4634     -2174.3117     -2725.0841

ENERGY:     214     17315.5528     19421.7447      5733.3059       176.6827        -333645.3937     21358.4486         0.0000         0.0000     46958.4702        -222681.1887       170.8220   -269639.6589   -222093.7410       170.8220           -143.6685     -2626.0578    921491.4634      -143.6685     -2626.0578

ENERGY:     215     18210.5054     19441.9743      5746.5772       178.1492        -332787.3324     21379.5597         0.0000         0.0000     45302.6745        -222527.8919       164.7987   -267830.5665   -222091.0450       164.7987            784.0015     -2554.0368    921491.4634       784.0015     -2554.0368

ENERGY:     216     20973.4716     19522.5062      5756.9571       180.1770        -332560.1062     21436.4837         0.0000         0.0000     42442.1788        -222248.3318       154.3930   -264690.5106   -222073.6156       154.3930            420.9902     -2541.5427    921491.4634       420.9902     -2541.5427

ENERGY:     217     21778.3867     19581.4820      5762.2416       182.5517        -333010.6759     21497.2707         0.0000         0.0000     41983.6750        -222225.0683       152.7251   -264208.7433   -222064.4465       152.7251           -882.1698     -2598.7243    921491.4634      -882.1698     -2598.7243

ENERGY:     218     20165.9157     19540.0891      5761.2415       184.9927        -333856.1149     21546.6562         0.0000         0.0000     44178.6835        -222478.5361       160.7099   -266657.2196   -222068.8155       160.7099          -2628.0652     -2703.9746    921491.4634     -2628.0652     -2703.9746

ENERGY:     219     19429.8640     19413.3932      5754.3577       187.2447        -334778.0711     21596.8810         0.0000         0.0000     45751.9297        -222644.4008       166.4329   -268396.3305   -222073.1720       166.4329          -4457.7332     -2810.5236    921491.4634     -4457.7332     -2810.5236

TIMING: 220  CPU: 104.703, 0.470236/step  Wall: 104.703, 0.470236/step, 0.0365739 hours remaining, 3223.335938 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     19260.1137      5743.1672       189.1021        -335473.8433     21655.3185         0.0000         0.0000     44539.5739        -222505.6536       162.0227   -267045.2274   -222092.6289       162.0227          -5898.3511     -2876.6576    921491.4634     -5898.3511     -2876.6576

ENERGY:     221     24234.7390     19146.8280      5730.1601       190.4777        -335718.7276     21699.4245         0.0000         0.0000     42467.0189        -222250.0794       154.4833   -264717.0982   -222077.7836       154.4833          -6342.7097     -2884.3552    921491.4634     -6342.7097     -2884.3552

ENERGY:     222     23735.1223     19085.7309      5717.7679       191.2894        -335388.9915     21700.3078         0.0000         0.0000     42702.0389        -222256.7344       155.3383   -264958.7733   -222075.6638       155.3383          -5368.7278     -2838.7016    921491.4634     -5368.7278     -2838.7016

ENERGY:     223     20286.4335     19110.8427      5708.3528       191.5579        -334633.3914     21665.5243         0.0000         0.0000     45168.7531        -222501.9270       164.3115   -267670.6801   -222072.2457       164.3115          -3322.8075     -2753.9474    921491.4634     -3322.8075     -2753.9474

ENERGY:     224     17721.9818     19276.3018      5703.4616       191.3517        -333831.1559     21637.4894         0.0000         0.0000     46650.8780        -222649.6916       169.7031   -269300.5696   -222098.2846       169.7031          -1151.0969     -2650.6854    921491.4634     -1151.0969     -2650.6854

ENERGY:     225     18451.5608     19639.7349      5703.5482       190.8347        -333424.4647     21647.4589         0.0000         0.0000     45301.5806        -222489.7467       164.7947   -267791.3273   -222079.9378       164.7947            226.2574     -2563.9719    921491.4634       226.2574     -2563.9719

ENERGY:     226     20569.7731     20147.6375      5707.2430       190.0457        -333606.5694     21686.9381         0.0000         0.0000     43034.1678        -222270.7642       156.5465   -265304.9320   -222078.6802       156.5465            530.9033     -2526.3323    921491.4634       530.9033     -2526.3323

ENERGY:     227     21011.1676     20670.4532      5712.3895       189.0770        -334317.7220     21728.2285         0.0000         0.0000     42721.7945        -222284.6118       155.4101   -265006.4062   -222080.2096       155.4101           -104.6489     -2553.6074    921491.4634      -104.6489     -2553.6074

ENERGY:     228     19866.2928     21035.8344      5716.6482       188.0081        -335312.4269     21761.2924         0.0000         0.0000     44242.5385        -222501.8125       160.9422   -266744.3510   -222102.7894       160.9422          -1440.0182     -2625.9673    921491.4634     -1440.0182     -2625.9673

ENERGY:     229     19874.0814     21137.5587      5718.5477       187.0043        -336264.4470     21796.8121         0.0000         0.0000     44976.5836        -222573.8592       163.6124   -267550.4428   -222086.0491       163.6124          -3234.4609     -2710.7215    921491.4634     -3234.4609     -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     20926.2537      5717.1889       185.9786        -336838.6567     21834.6451         0.0000         0.0000     43751.0552        -222424.2895       159.1543   -266175.3447   -222088.6910       159.1543          -4902.3781     -2766.0558    921491.4634     -4902.3781     -2766.0558

ENERGY:     231     23806.6618     20470.3272      5713.0793       184.9073        -336794.0753     21849.7234         0.0000         0.0000     42506.4015        -222262.9748       154.6266   -264769.3763   -222089.4823       154.6266          -5730.6843     -2773.7616    921491.4634     -5730.6843     -2773.7616

ENERGY:     232     22812.6531     19886.6601      5707.7133       183.7520        -336072.1015     21820.0136         0.0000         0.0000     43315.5693        -222345.7401       157.5701   -265661.3094   -222098.2754       157.5701          -5301.5937     -2731.4986    921491.4634     -5301.5937     -2731.4986

ENERGY:     233     20035.6404     19318.2042      5703.4910       182.6157        -334889.2830     21760.7377         0.0000         0.0000     45350.0988        -222538.4952       164.9712   -267888.5940   -222089.6821       164.9712          -3899.2117     -2646.7387    921491.4634     -3899.2117     -2646.7387

ENERGY:     234     18553.6065     18856.0075      5702.3325       181.3395        -333642.4871     21712.9299         0.0000         0.0000     46049.0873        -222587.1839       167.5139   -268636.2712   -222086.3329       167.5139          -2187.7192     -2534.9737    921491.4634     -2187.7192     -2534.9737

ENERGY:     235     19419.0964     18603.4161      5705.8180       179.9133        -332789.1748     21702.6096         0.0000         0.0000     44750.4958        -222427.8257       162.7900   -267178.3215   -222083.1203       162.7900           -820.1736     -2429.4349    921491.4634      -820.1736     -2429.4349

ENERGY:     236     20566.0776     18629.1001      5714.2865       178.3391        -332585.8846     21721.5012         0.0000         0.0000     43477.4014        -222299.1787       158.1588   -265776.5801   -222073.0119       158.1588           -108.6482     -2371.7044    921491.4634      -108.6482     -2371.7044

ENERGY:     237     20196.0057     18940.2031      5726.8243       176.7459        -333068.3185     21749.0157         0.0000         0.0000     43898.3780        -222381.1459       159.6902   -266279.5239   -222063.3605       159.6902           -172.1588     -2373.2012    921491.4634      -172.1588     -2373.2012

ENERGY:     238     19419.4413     19404.0885      5740.6977       175.0128        -333964.3152     21778.9044         0.0000         0.0000     44901.2437        -222544.9269       163.3384   -267446.1706   -222065.9777       163.3384           -987.6013     -2425.5310    921491.4634      -987.6013     -2425.5310

ENERGY:     239     20428.8616     19846.5441      5752.8836       173.1946        -334966.8378     21816.7509         0.0000         0.0000     44416.4634        -222532.1397       161.5749   -266948.6031   -222068.9825       161.5749          -2385.1781     -2499.0796    921491.4634     -2385.1781     -2499.0796

TIMING: 240  CPU: 114.1, 0.469871/step  Wall: 114.1, 0.469871/step, 0.0339351 hours remaining, 3223.335938 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     240     22861.0420     20119.9136      5760.6910       171.4213        -335766.3627     21854.4253         0.0000         0.0000     42641.4776        -222357.3919       155.1180   -264998.8695   -222074.0953       155.1180          -3844.9085     -2568.3896    921491.4634     -3844.9085     -2568.3896

ENERGY:     241     23920.0053     20195.4874      5762.7124       169.9828        -336129.3253     21865.1032         0.0000         0.0000     41957.8935        -222258.1407       152.6313   -264216.0342   -222063.9158       152.6313          -4724.4492     -2616.3453    921491.4634     -4724.4492     -2616.3453

ENERGY:     242     22110.7716     20111.8210      5758.5348       169.0441        -335904.8197     21831.0567         0.0000         0.0000     43526.8719        -222396.7195       158.3388   -265923.5914   -222063.5736       158.3388          -4623.1689     -2633.0913    921491.4634     -4623.1689     -2633.0913

ENERGY:     243     19462.3620     19969.6446      5749.3614       168.8705        -335233.7068     21770.4748         0.0000         0.0000     45537.0690        -222575.9245       165.6513   -268112.9935   -222061.6674       165.6513          -3760.4505     -2614.6992    921491.4634     -3760.4505     -2614.6992

ENERGY:     244     18822.2463     19849.3935      5737.4544       169.6534        -334482.6010     21720.5676         0.0000         0.0000     45629.1663        -222554.1194       165.9864   -268183.2857   -222078.7771       165.9864          -2667.7297     -2573.2149    921491.4634     -2667.7297     -2573.2149

ENERGY:     245     20148.2367     19811.7599      5725.7785       171.4559        -334087.5946     21701.2470         0.0000         0.0000     44168.5249        -222360.5917       160.6730   -266529.1166   -222068.6365       160.6730          -1771.6900     -2533.5454    921491.4634     -1771.6900     -2533.5454

ENERGY:     246     20878.5480     19853.7024      5716.8932       174.1558        -334213.1206     21705.0850         0.0000         0.0000     43600.4183        -222284.3178       158.6063   -265884.7361   -222067.4295       158.6063          -1173.7929     -2523.3912    921491.4634     -1173.7929     -2523.3912

ENERGY:     247     19868.5286     19979.6439      5712.7400       177.5412        -334802.1842     21719.8454         0.0000         0.0000     44912.1913        -222431.6937       163.3782   -267343.8850   -222068.1394       163.3782           -983.0000     -2552.5930    921491.4634      -983.0000     -2552.5930

ENERGY:     248     19035.4925     20164.4296      5713.8450       181.3144        -335623.1353     21746.4311         0.0000         0.0000     46185.9363        -222595.6865       168.0117   -268781.6228   -222090.3127       168.0117          -1359.1247     -2608.3066    921491.4634     -1359.1247     -2608.3066

ENERGY:     249     20484.3305     20353.6193      5719.1623       185.0800        -336433.0067     21788.9033         0.0000         0.0000     45370.8153        -222531.0959       165.0466   -267901.9112   -222082.9711       165.0466          -2308.0287     -2671.2385    921491.4634     -2308.0287     -2671.2385

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

ENERGY:     250     23155.2056     20422.5256      5726.1009       188.5682        -336907.4410     21832.9289         0.0000         0.0000     43252.1660        -222329.9457       157.3395   -265582.1117   -222084.2878       157.3395          -3365.2096     -2722.3879    921491.4634     -3365.2096     -2722.3879

ENERGY:     251     24002.1398     20302.5996      5731.6573       191.5295        -336816.8449     21849.8673         0.0000         0.0000     42475.2393        -222263.8121       154.5132   -264739.0514   -222084.8990       154.5132          -3958.0339     -2753.0723    921491.4634     -3958.0339     -2753.0723

ENERGY:     252     21994.9041     20013.1599      5733.2541       193.8023        -336093.2677     21826.9296         0.0000         0.0000     43905.3720        -222425.8457       159.7157   -266331.2177   -222091.3306       159.7157          -3843.4682     -2758.0339    921491.4634     -3843.4682     -2758.0339

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     -2735.8132    921491.4634     -3300.1273     -2735.8132

ENERGY:     254     19073.0881     19348.2296      5720.5008       195.9622        -333839.8799     21752.6524         0.0000         0.0000     45220.9195        -222528.5272       164.5013   -267749.4468   -222080.4687       164.5013          -2707.1336     -2696.1701    921491.4634     -2707.1336     -2696.1701

ENERGY:     255     20324.2310     19109.4102      5707.6062       196.0620        -333099.9234     21746.1516         0.0000         0.0000     43667.4212        -222349.0411       158.8501   -266016.4623   -222078.3976       158.8501          -2282.5424     -2662.7814    921491.4634     -2282.5424     -2662.7814

ENERGY:     256     20899.4408     18950.9579      5693.4518       195.6570        -332975.5975     21757.6848         0.0000         0.0000     43181.1612        -222297.2440       157.0812   -265478.4052   -222071.2741       157.0812          -2042.2408     -2664.5199    921491.4634     -2042.2408     -2664.5199

ENERGY:     257     20029.5653     18878.1874      5681.1759       194.7976        -333481.0042     21780.2420         0.0000         0.0000     44488.5468        -222428.4893       161.8371   -266917.0361   -222060.1686       161.8371          -2035.5362     -2692.1442    921491.4634     -2035.5362     -2692.1442

ENERGY:     258     19453.5867     18882.0667      5673.2911       193.6684        -334373.1548     21817.5078         0.0000         0.0000     45796.2577        -222556.7764       166.5942   -268353.0341   -222062.0610       166.5942          -2331.2328     -2737.1920    921491.4634     -2331.2328     -2737.1920

ENERGY:     259     20717.7709     18984.1030      5671.3007       192.3774        -335369.5281     21871.0067         0.0000         0.0000     45431.1554        -222501.8141       165.2661   -267932.9695   -222063.7308       165.2661          -2890.3671     -2780.4961    921491.4634     -2890.3671     -2780.4961

TIMING: 260  CPU: 123.487, 0.469336/step  Wall: 123.487, 0.469336/step, 0.0312891 hours remaining, 3223.683594 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     22744.9543     19188.2463      5675.1875       191.0393        -336169.7730     21924.7894         0.0000         0.0000     44083.4304        -222362.1257       160.3634   -266445.5561   -222069.6814       160.3634          -3407.4794     -2810.9878    921491.4634     -3407.4794     -2810.9878

ENERGY:     261     23215.5573     19485.4656      5683.6413       189.7700        -336523.9801     21953.3903         0.0000         0.0000     43676.0232        -222320.1324       158.8814   -265996.1556   -222052.8238       158.8814          -3555.3695     -2822.8648    921491.4634     -3555.3695     -2822.8648

ENERGY:     262     21606.2723     19814.6777      5694.0656       188.7122        -336291.7859     21947.6075         0.0000         0.0000     44601.6344        -222438.8161       162.2485   -267040.4506   -222052.4324       162.2485          -3214.7560     -2810.4637    921491.4634     -3214.7560     -2810.4637

ENERGY:     263     19781.1227     20140.5622      5703.8103       187.9445        -335614.9713     21924.4741         0.0000         0.0000     45349.7769        -222527.2805       164.9700   -267877.0575   -222051.1549       164.9700          -2647.8114     -2773.3903    921491.4634     -2647.8114     -2773.3903

ENERGY:     264     19385.2259     20436.4304      5710.6950       187.5052        -334855.9510     21907.7773         0.0000         0.0000     44751.4782        -222476.8389       162.7936   -267228.3172   -222069.1984       162.7936          -2191.1925     -2723.5293    921491.4634     -2191.1925     -2723.5293

ENERGY:     265     19946.8414     20681.9924      5713.6241       187.4393        -334395.6630     21906.0164         0.0000         0.0000     43607.6373        -222352.1121       158.6326   -265959.7494   -222054.3372       158.6326          -2038.0572     -2683.6034    921491.4634     -2038.0572     -2683.6034

ENERGY:     266     20048.7898     20788.8699      5712.1327       187.6137        -334399.4575     21914.4806         0.0000         0.0000     43399.3796        -222348.1912       157.8750   -265747.5708   -222054.3635       157.8750          -2130.7240     -2664.5956    921491.4634     -2130.7240     -2664.5956

ENERGY:     267     19648.0905     20691.2677      5707.0583       187.8501        -334831.4854     21930.8375         0.0000         0.0000     44220.2167        -222446.1646       160.8610   -266666.3814   -222055.6585       160.8610          -2435.4234     -2662.6783    921491.4634     -2435.4234     -2662.6783

ENERGY:     268     19962.9160     20375.7514      5700.1930       187.9286        -335513.7447     21959.1258         0.0000         0.0000     44823.5376        -222504.2922       163.0557   -267327.8298   -222075.9873       163.0557          -2903.2125     -2658.6181    921491.4634     -2903.2125     -2658.6181

ENERGY:     269     21396.7813     19927.1702      5694.0390       187.7640        -336221.0659     21997.2161         0.0000         0.0000     44586.5098        -222431.5856       162.1935   -267018.0954   -222066.1971       162.1935          -3401.4129     -2647.2949    921491.4634     -3401.4129     -2647.2949

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

ENERGY:     270     22620.1933     19450.9167      5690.3173       187.1618        -336650.6773     22028.8071         0.0000         0.0000     44308.0074        -222365.2736       161.1804   -266673.2810   -222067.0432       161.1804          -3583.3634     -2617.7583    921491.4634     -3583.3634     -2617.7583

ENERGY:     271     22345.5823     19078.8065      5690.0209       186.1610        -336571.7890     22035.2502         0.0000         0.0000     44829.4472        -222406.5210       163.0772   -267235.9681   -222066.8384       163.0772          -3261.2175     -2569.2622    921491.4634     -3261.2175     -2569.2622

ENERGY:     272     21021.5584     18896.0662      5692.8269       184.9335        -335921.4616     22015.0580         0.0000         0.0000     45607.7076        -222503.3111       165.9083   -268111.0186   -222081.1573       165.9083          -2551.9684     -2501.8804    921491.4634     -2551.9684     -2501.8804

ENERGY:     273     20123.2135     18932.9081      5697.5118       183.8526        -334925.7013     21985.5296         0.0000         0.0000     45502.7160        -222499.9696       165.5264   -268002.6856   -222069.0459       165.5264          -1837.1975     -2434.6760    921491.4634     -1837.1975     -2434.6760

ENERGY:     274     20074.7415     19121.4863      5701.6806       183.0070        -333931.6258     21965.2977         0.0000         0.0000     44478.5175        -222406.8952       161.8006   -266885.4127   -222066.8029       161.8006          -1366.5212     -2384.6634    921491.4634     -1366.5212     -2384.6634

ENERGY:     275     20005.4316     19374.0681      5703.3424       182.5376        -333318.5604     21960.8299         0.0000         0.0000     43741.9682        -222350.3825       159.1213   -266092.3507   -222065.7693       159.1213          -1269.7930     -2374.8869    921491.4634     -1269.7930     -2374.8869

ENERGY:     276     19401.8500     19594.7509      5701.2546       182.4904        -333292.1279     21971.0410         0.0000         0.0000     44028.5271        -222412.2139       160.1637   -266440.7410   -222072.9393       160.1637          -1580.1299     -2417.6040    921491.4634     -1580.1299     -2417.6040

ENERGY:     277     19149.2971     19724.7161      5695.5210       182.9396        -333864.3451     21997.2387         0.0000         0.0000     44632.8111        -222481.8216       162.3619   -267114.6327   -222061.0987       162.3619          -2311.7543     -2498.0544    921491.4634     -2311.7543     -2498.0544

ENERGY:     278     20199.4576     19713.7760      5686.9122       183.6585        -334821.1001     22041.3359         0.0000         0.0000     44532.2539        -222463.7060       161.9961   -266995.9599   -222063.4130       161.9961          -3254.8156     -2593.7696    921491.4634     -3254.8156     -2593.7696

ENERGY:     279     21984.3649     19593.9431      5677.5176       184.5187        -335888.5798     22096.4199         0.0000         0.0000     43975.0879        -222376.7278       159.9693   -266351.8157   -222065.2022       159.9693          -4044.3213     -2682.8389    921491.4634     -4044.3213     -2682.8389

TIMING: 280  CPU: 132.871, 0.469176/step  Wall: 132.871, 0.469176/step, 0.0286719 hours remaining, 3223.683594 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     280     22859.3230     19458.4366      5670.0026       185.3899        -336752.6632     22145.1354         0.0000         0.0000     44066.7337        -222367.6419       160.3027   -266434.3757   -222073.4247       160.3027          -4286.3895     -2748.0546    921491.4634     -4286.3895     -2748.0546

ENERGY:     281     22172.5959     19445.1182      5667.0588       186.2206        -337154.6802     22172.1191         0.0000         0.0000     45063.2422        -222448.3253       163.9277   -267511.5675   -222064.8519       163.9277          -3881.2952     -2782.5902    921491.4634     -3881.2952     -2782.5902

ENERGY:     282     20943.7898     19615.5378      5669.9796       186.8360        -336942.5033     22176.7654         0.0000         0.0000     45823.3369        -222526.2578       166.6927   -268349.5947   -222063.3316       166.6927          -2992.3272     -2779.3668    921491.4634     -2992.3272     -2779.3668

ENERGY:     283     20432.1060     19966.6613      5678.8137       187.1634        -336251.9199     22171.0648         0.0000         0.0000     45328.8520        -222487.2587       164.8939   -267816.1107   -222060.8460       164.8939          -2008.7736     -2748.2306    921491.4634     -2008.7736     -2748.2306

ENERGY:     284     20506.3997     20401.8821      5692.0830       187.1346        -335412.6299     22166.2909         0.0000         0.0000     44071.4480        -222387.3916       160.3198   -266458.8396   -222061.5541       160.3198          -1267.2790     -2712.3902    921491.4634     -1267.2790     -2712.3902

ENERGY:     285     20203.3285     20789.9628      5707.3564       186.7145        -334827.1965     22167.0165         0.0000         0.0000     43418.2631        -222354.5546       157.9437   -265772.8177   -222053.5968       157.9437          -1010.8437     -2700.0820    921491.4634     -1010.8437     -2700.0820

ENERGY:     286     19396.6308     20966.5622      5721.5031       185.8229        -334658.1149     22176.6863         0.0000         0.0000     43785.6882        -222425.2214       159.2803   -266210.9096   -222054.0584       159.2803          -1306.7502     -2717.2847    921491.4634     -1306.7502     -2717.2847

ENERGY:     287     19176.1190     20856.7823      5731.9346       184.4714        -334918.1481     22200.2910         0.0000         0.0000     44282.9438        -222485.6061       161.0892   -266768.5499   -222055.7255       161.0892          -2148.9613     -2753.3344    921491.4634     -2148.9613     -2753.3344

ENERGY:     288     20263.2088     20475.2851      5736.9557       182.7335        -335468.3147     22237.9037         0.0000         0.0000     44116.9905        -222455.2374       160.4855   -266572.2279   -222066.9052       160.4855          -3310.5879     -2790.1553    921491.4634     -3310.5879     -2790.1553

ENERGY:     289     21886.4834     19928.6979      5736.1905       180.7560        -336126.9123     22279.0689         0.0000         0.0000     43733.4514        -222382.2640       159.0903   -266115.7154   -222062.2723       159.0903          -4368.9815     -2809.8749    921491.4634     -4368.9815     -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     22615.9844     19325.5267      5730.3279       178.6973        -336571.4575     22308.2174         0.0000         0.0000     44027.4236        -222385.2801       160.1597   -266412.7038   -222063.4682       160.1597          -4815.3287     -2796.0390    921491.4634     -4815.3287     -2796.0390

ENERGY:     291     22115.7702     18802.2910      5721.4122       176.7646        -336554.3559     22315.5630         0.0000         0.0000     44963.0867        -222459.4682       163.5634   -267422.5549   -222063.1773       163.5634          -4450.6674     -2738.1108    921491.4634     -4450.6674     -2738.1108

ENERGY:     292     21262.5909     18472.4017      5712.2431       175.1751        -335987.2702     22302.8784         0.0000         0.0000     45560.3455        -222501.6354       165.7360   -268061.9810   -222072.5161       165.7360          -3435.4157     -2639.3513    921491.4634     -3435.4157     -2639.3513

ENERGY:     293     20783.4661     18411.7344      5705.7252       174.1484        -335092.9708     22279.1181         0.0000         0.0000     45283.4161        -222455.3624       164.7286   -267738.7786   -222061.5454       164.7286          -2166.7337     -2517.2545    921491.4634     -2166.7337     -2517.2545

ENERGY:     294     20398.6128     18589.6439      5703.5791       173.8101        -334179.1789     22254.0799         0.0000         0.0000     44662.2338        -222397.2192       162.4689   -267059.4531   -222058.8850       162.4689          -1006.6042     -2405.5593    921491.4634     -1006.6042     -2405.5593

ENERGY:     295     19706.6741     18924.3586      5706.2255       174.2141        -333602.5018     22236.6569         0.0000         0.0000     44449.5913        -222404.7814       161.6954   -266854.3726   -222057.5860       161.6954           -311.5566     -2335.1539    921491.4634      -311.5566     -2335.1539

ENERGY:     296     19122.8990     19301.4535      5712.5929       175.3096        -333576.4728     22236.1189         0.0000         0.0000     44573.6030        -222454.4959       162.1465   -267028.0989   -222067.3939       162.1465           -347.2083     -2322.9740    921491.4634      -347.2083     -2322.9740

ENERGY:     297     19439.7489     19641.8020      5720.7182       176.9777        -334148.9756     22258.2525         0.0000         0.0000     44466.2678        -222445.2086       161.7561   -266911.4764   -222050.8187       161.7561          -1189.5387     -2359.0876    921491.4634     -1189.5387     -2359.0876

ENERGY:     298     20578.5047     19886.6666      5727.8935       178.9488        -335137.5242     22299.1411         0.0000         0.0000     44067.5344        -222398.8351       160.3056   -266466.3694   -222053.6275       160.3056          -2519.0813     -2427.9309    921491.4634     -2519.0813     -2427.9309

ENERGY:     299     21598.9656     20050.9662      5731.9440       180.9390        -336266.8206     22346.0658         0.0000         0.0000     43977.6322        -222380.3078       159.9785   -266357.9400   -222056.3728       159.9785          -3820.1264     -2506.2688    921491.4634     -3820.1264     -2506.2688

LDB: ============= START OF LOAD BALANCING ============== 148.594
LDB: Largest compute 200 load 0.520340 is 1.1% of average load 45.762927
LDB: Average compute 0.064097 is 0.1% of average load 45.762927
LDB: TIME 148.596 LOAD: AVG 45.7629 MAX 46.9724  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.08 MB
LDB: TIME 148.597 LOAD: AVG 45.7629 MAX 46.9724  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.08 MB
LDB: TIME 148.609 LOAD: AVG 45.7629 MAX 46.2074  PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.08 MB
LDB: ============== END OF LOAD BALANCING =============== 148.61
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.611
Info: Initial time: 4 CPUs 0.469335 s/step 5.43212 days/ns 3224.08 MB memory
TIMING: 300  CPU: 142.249, 0.468917/step  Wall: 142.249, 0.468917/step, 0.026051 hours remaining, 3224.078125 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     300     21869.9882     20174.1890      5731.6695       182.6816        -337209.9034     22385.4781         0.0000         0.0000     44423.7997        -222442.0975       161.6016   -266865.8971   -222076.5870       161.6016          -4600.9409     -2563.6019    921491.4634     -4600.9409     -2563.6019

ENERGY:     301     21754.7697     20299.7852      5727.3852       184.0330        -337665.1002     22409.6627         0.0000         0.0000     44817.7467        -222471.7176       163.0346   -267289.4643   -222059.2470       163.0346          -4657.8464     -2584.2293    921491.4634     -4657.8464     -2584.2293

ENERGY:     302     21723.0646     20395.7907      5720.2599       184.8676        -337483.0152     22416.9293         0.0000         0.0000     44599.2670        -222442.8362       162.2399   -267042.1032   -222057.3401       162.2399          -3958.8649     -2554.2736    921491.4634     -3958.8649     -2554.2736

ENERGY:     303     21512.5327     20430.0800      5712.5286       185.2198        -336784.9549     22409.2049         0.0000         0.0000     44154.6909        -222380.6981       160.6226   -266535.3889   -222054.2090       160.6226          -2717.2718     -2487.9821    921491.4634     -2717.2718     -2487.9821

ENERGY:     304     20579.5055     20379.6043      5706.6112       185.2163        -335895.7341     22392.3088         0.0000         0.0000     44259.5530        -222392.9351       161.0041   -266652.4881   -222063.7238       161.0041          -1310.8209     -2411.5371    921491.4634     -1310.8209     -2411.5371

ENERGY:     305     19294.2487     20267.1924      5704.5649       185.0761        -335184.3673     22377.9876         0.0000         0.0000     44903.5549        -222451.7427       163.3468   -267355.2976   -222049.0630       163.3468           -285.4664     -2359.8439    921491.4634      -285.4664     -2359.8439

ENERGY:     306     18813.6232     20091.4460      5706.8791       184.8700        -334861.4711     22380.1170         0.0000         0.0000     45195.6068        -222488.9289       164.4092   -267684.5356   -222048.9454       164.4092            -34.4474     -2342.9900    921491.4634       -34.4474     -2342.9900

ENERGY:     307     19699.8290     19880.2869      5712.8835       184.6555        -334994.2778     22404.6080         0.0000         0.0000     44676.1360        -222435.8789       162.5195   -267112.0149   -222050.4565       162.5195           -686.7124     -2362.0196    921491.4634      -686.7124     -2362.0196

ENERGY:     308     21066.5788     19666.1167      5720.7564       184.4262        -335495.7176     22443.3091         0.0000         0.0000     44039.4392        -222375.0912       160.2034   -266414.5303   -222060.2282       160.2034          -1960.6041     -2406.6006    921491.4634     -1960.6041     -2406.6006

ENERGY:     309     21696.0234     19507.1879      5728.2464       184.2113        -336171.4696     22480.8021         0.0000         0.0000     44190.3407        -222384.6578       160.7523   -266574.9985   -222050.0295       160.7523          -3383.0055     -2467.8899    921491.4634     -3383.0055     -2467.8899

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

ENERGY:     310     21508.7274     19421.0239      5732.7586       183.9063        -336693.8609     22505.8457         0.0000         0.0000     44871.0065        -222470.5924       163.2284   -267341.5990   -222052.4939       163.2284          -4424.6314     -2515.2222    921491.4634     -4424.6314     -2515.2222

ENERGY:     311     21459.6722     19421.2609      5732.5580       183.4896        -336798.7866     22515.0560         0.0000         0.0000     44986.9606        -222499.7893       163.6502   -267486.7499   -222053.3069       163.6502          -4795.7695     -2523.0993    921491.4634     -4795.7695     -2523.0993

ENERGY:     312     21894.2737     19475.0870      5727.0397       182.9545        -336390.8679     22507.7149         0.0000         0.0000     44171.5547        -222432.2433       160.6840   -266603.7980   -222064.5095       160.6840          -4390.5735     -2479.7746    921491.4634     -4390.5735     -2479.7746

ENERGY:     313     21935.6983     19529.7474      5717.1322       182.3602        -335633.4778     22483.0130         0.0000         0.0000     43439.9887        -222345.5380       158.0227   -265785.5266   -222050.9856       158.0227          -3324.4414     -2406.1159    921491.4634     -3324.4414     -2406.1159

ENERGY:     314     20774.0371     19507.1859      5704.6248       181.6523        -334801.1008     22445.5165         0.0000         0.0000     43813.5134        -222374.5708       159.3815   -266188.0842   -222048.2694       159.3815          -1862.2382     -2326.9766    921491.4634     -1862.2382     -2326.9766

ENERGY:     315     19161.1202     19408.2599      5692.2116       180.8666        -334233.4706     22410.8358         0.0000         0.0000     44907.4427        -222472.7338       163.3609   -267380.1765   -222046.1400       163.3609           -549.3942     -2270.2360    921491.4634      -549.3942     -2270.2360

ENERGY:     316     18669.4291     19303.6210      5682.5271       180.0732        -334172.3645     22398.3989         0.0000         0.0000     45428.4346        -222509.8806       165.2562   -267938.3152   -222062.0710       165.2562             64.5862     -2251.8059    921491.4634        64.5862     -2251.8059

ENERGY:     317     19739.5966     19309.4454      5677.5265       179.4130        -334705.9338     22416.0669         0.0000         0.0000     44959.2152        -222424.6702       163.5493   -267383.8854   -222046.6269       163.5493           -296.1489     -2282.4174    921491.4634      -296.1489     -2282.4174

ENERGY:     318     21109.3875     19471.3044      5677.4840       178.9393        -335675.6976     22454.1810         0.0000         0.0000     44425.4198        -222358.9817       161.6075   -266784.4015   -222048.7805       161.6075          -1378.4200     -2356.1402    921491.4634     -1378.4200     -2356.1402

ENERGY:     319     21567.4384     19787.0343      5681.4413       178.7485        -336801.6068     22496.5474         0.0000         0.0000     44691.1806        -222399.2162       162.5742   -267090.3969   -222051.9250       162.5742          -2725.8798     -2457.2025    921491.4634     -2725.8798     -2457.2025

TIMING: 320  CPU: 151.437, 0.459413/step  Wall: 151.437, 0.459413/step, 0.0229707 hours remaining, 3224.078125 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     320     21393.3835     20196.2690      5687.3971       178.9168        -337738.1157     22532.5475         0.0000         0.0000     45250.4875        -222499.1144       164.6088   -267749.6019   -222076.2070       164.6088          -3895.6021     -2553.5001    921491.4634     -3895.6021     -2553.5001

ENERGY:     321     21615.1672     20628.0216      5693.0806       179.5146        -338181.7100     22557.3346         0.0000         0.0000     45018.7804        -222489.8109       163.7660   -267508.5913   -222064.2787       163.7660          -4609.2358     -2621.5362    921491.4634     -4609.2358     -2621.5362

ENERGY:     322     22179.0068     20957.0455      5696.1855       180.4970        -337965.9624     22565.0703         0.0000         0.0000     43989.5237        -222398.6336       160.0218   -266388.1574   -222063.6576       160.0218          -4596.8828     -2640.5012    921491.4634     -4596.8828     -2640.5012

ENERGY:     323     21976.7004     21085.8078      5695.4506       181.8003        -337194.0739     22550.8103         0.0000         0.0000     43361.4901        -222342.0145       157.7372   -265703.5046   -222061.4464       157.7372          -3808.3604     -2616.6943    921491.4634     -3808.3604     -2616.6943

ENERGY:     324     20558.5067     20952.0211      5690.8581       183.3007        -336170.3972     22520.5741         0.0000         0.0000     43857.2498        -222407.8866       159.5406   -266265.1364   -222068.7485       159.5406          -2506.6899     -2573.6930    921491.4634     -2506.6899     -2573.6930

ENERGY:     325     19096.1751     20584.7376      5683.7432       184.8442        -335297.0510     22494.0544         0.0000         0.0000     44763.3952        -222490.1013       162.8369   -267253.4965   -222060.9515       162.8369          -1264.0245     -2529.6546    921491.4634     -1264.0245     -2529.6546

ENERGY:     326     18959.6360     20052.8003      5675.9627       186.2078        -334820.0102     22490.4169         0.0000         0.0000     44971.8221        -222483.1645       163.5951   -267454.9866   -222059.6112       163.5951           -572.2142     -2503.0558    921491.4634      -572.2142     -2503.0558

ENERGY:     327     20020.7820     19506.2793      5669.7116       187.2139        -334851.2529     22513.0146         0.0000         0.0000     44550.7423        -222403.5092       162.0634   -266954.2515   -222059.8764       162.0634           -657.4992     -2506.5014    921491.4634      -657.4992     -2506.5014

ENERGY:     328     20934.1978     19092.0092      5666.7484       187.7399        -335303.4709     22549.7453         0.0000         0.0000     44493.2354        -222379.7949       161.8542   -266873.0303   -222061.7260       161.8542          -1393.2039     -2547.3518    921491.4634     -1393.2039     -2547.3518

ENERGY:     329     21066.6664     18910.0877      5668.0553       187.7546        -335996.4126     22586.9566         0.0000         0.0000     45124.3164        -222452.5756       164.1499   -267576.8920   -222059.3368       164.1499          -2499.2290     -2610.9952    921491.4634     -2499.2290     -2610.9952

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

ENERGY:     330     21142.6833     18933.5044      5673.1988       187.2569        -336566.3117     22617.7580         0.0000         0.0000     45495.0145        -222516.8959       165.4984   -268011.9103   -222062.1152       165.4984          -3602.9589     -2673.3212    921491.4634     -3602.9589     -2673.3212

ENERGY:     331     21864.6854     19091.0593      5680.9136       186.3262        -336735.1752     22637.2715         0.0000         0.0000     44806.2162        -222468.7030       162.9927   -267274.9192   -222063.3973       162.9927          -4373.7647     -2707.8811    921491.4634     -4373.7647     -2707.8811

ENERGY:     332     22513.8606     19292.8543      5689.3391       185.0893        -336383.5024     22636.4044         0.0000         0.0000     43697.6284        -222368.3263       158.9600   -266065.9547   -222061.8463       158.9600          -4514.5070     -2704.7030    921491.4634     -4514.5070     -2704.7030

ENERGY:     333     21854.9974     19482.7899      5696.6505       183.7309        -335681.4585     22608.9730         0.0000         0.0000     43501.2418        -222353.0750       158.2456   -265854.3168   -222052.0754       158.2456          -3943.3086     -2666.2161    921491.4634     -3943.3086     -2666.2161

ENERGY:     334     20023.4849     19603.2616      5701.0454       182.3864        -334880.5304     22564.8642         0.0000         0.0000     44357.3052        -222448.1827       161.3597   -266805.4879   -222049.6962       161.3597          -2855.3038     -2607.1877    921491.4634     -2855.3038     -2607.1877

ENERGY:     335     18726.9582     19647.0450      5701.6423       181.1975        -334325.9458     22528.7345         0.0000         0.0000     45026.6265        -222513.7416       163.7945   -267540.3682   -222047.5434       163.7945          -1753.1269     -2542.6964    921491.4634     -1753.1269     -2542.6964

ENERGY:     336     19127.9133     19639.0995      5698.6022       180.2744        -334271.7859     22519.6998         0.0000         0.0000     44649.6649        -222456.5317       162.4232   -267106.1967   -222055.6203       162.4232          -1093.5006     -2488.8702    921491.4634     -1093.5006     -2488.8702

ENERGY:     337     20420.1633     19649.7063      5693.3319       179.7347        -334824.3561     22536.4223         0.0000         0.0000     43995.5998        -222349.3978       160.0439   -266344.9976   -222040.1027       160.0439          -1064.7184     -2460.5860    921491.4634     -1064.7184     -2460.5860

ENERGY:     338     21007.5746     19722.4643      5687.5590       179.5437        -335808.8623     22564.1944         0.0000         0.0000     44285.9173        -222361.6090       161.1000   -266647.5263   -222041.5960       161.1000          -1500.9500     -2462.8576    921491.4634     -1500.9500     -2462.8576

ENERGY:     339     20742.6010     19892.4864      5683.2969       179.6501        -336924.5162     22593.0218         0.0000         0.0000     45359.3478        -222474.1121       165.0048   -267833.4600   -222043.8632       165.0048          -2199.9376     -2485.1215    921491.4634     -2199.9376     -2485.1215

TIMING: 340  CPU: 160.611, 0.458665/step  Wall: 160.611, 0.458665/step, 0.0203851 hours remaining, 3224.078125 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     340     20898.6067     20139.5372      5681.9995       179.9655        -337821.3680     22621.7136         0.0000         0.0000     45758.5728        -222540.9726       166.4571   -268299.5455   -222070.3954       166.4571          -2966.9709     -2503.9485    921491.4634     -2966.9709     -2503.9485

ENERGY:     341     22051.8626     20407.8962      5684.3134       180.4786        -338209.1663     22646.3198         0.0000         0.0000     44797.5818        -222440.7139       162.9613   -267238.2957   -222054.5349       162.9613          -3585.3813     -2498.5442    921491.4634     -3585.3813     -2498.5442

ENERGY:     342     22895.9213     20582.1010      5689.2420       181.0293        -337942.4471     22653.2571         0.0000         0.0000     43612.4988        -222328.3977       158.6503   -265940.8964   -222054.3603       158.6503          -3711.7546     -2460.9855    921491.4634     -3711.7546     -2460.9855

ENERGY:     343     21993.5594     20596.8905      5695.1198       181.5548        -337132.3414     22633.1272         0.0000         0.0000     43686.5573        -222345.5324       158.9197   -266032.0897   -222053.2450       158.9197          -3217.8262     -2399.3476    921491.4634     -3217.8262     -2399.3476

ENERGY:     344     19898.5078     20447.2066      5699.9573       182.0106        -336095.2672     22596.5928         0.0000         0.0000     44790.9362        -222480.0559       162.9371   -267270.9921   -222071.3578       162.9371          -2338.1158     -2329.7492    921491.4634     -2338.1158     -2329.7492

ENERGY:     345     18694.7357     20199.0881      5702.3270       182.4513        -335224.1271     22568.7536         0.0000         0.0000     45351.4658        -222525.3055       164.9762   -267876.7713   -222058.0555       164.9762          -1576.2389     -2261.7959    921491.4634     -1576.2389     -2261.7959

ENERGY:     346     19350.9889     19892.9542      5701.0894       182.7368        -334783.0718     22565.1336         0.0000         0.0000     44652.5016        -222437.6673       162.4335   -267090.1689   -222056.8256       162.4335          -1239.3022     -2211.7781    921491.4634     -1239.3022     -2211.7781

ENERGY:     347     20669.8295     19583.9410      5696.3949       182.8447        -334881.4383     22581.1981         0.0000         0.0000     43831.1325        -222336.0975       159.4456   -266167.2301   -222056.9474       159.4456          -1358.8146     -2194.9212    921491.4634     -1358.8146     -2194.9212

ENERGY:     348     21062.2471     19315.9904      5689.3479       182.7918        -335425.6670     22604.2200         0.0000         0.0000     44195.9874        -222375.0823       160.7729   -266571.0697   -222064.0951       160.7729          -1766.2768     -2218.9158    921491.4634     -1766.2768     -2218.9158

ENERGY:     349     20718.9515     19143.3232      5681.9008       182.6959        -336197.3784     22630.4374         0.0000         0.0000     45349.6293        -222490.4403       164.9695   -267840.0697   -222056.3112       164.9695          -2336.6409     -2270.6250    921491.4634     -2336.6409     -2270.6250

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

ENERGY:     350     21009.3451     19066.8677      5675.7227       182.5405        -336836.8357     22661.9754         0.0000         0.0000     45710.0734        -222530.3109       166.2807   -268240.3843   -222058.0880       166.2807          -2896.5510     -2326.8868    921491.4634     -2896.5510     -2326.8868

ENERGY:     351     22235.3180     19085.8717      5672.3994       182.3761        -337072.3449     22693.2956         0.0000         0.0000     44770.4134        -222432.6707       162.8625   -267203.0841   -222058.6359       162.8625          -3254.0187     -2369.0508    921491.4634     -3254.0187     -2369.0508

ENERGY:     352     22912.9248     19180.1284      5672.7329       182.2243        -336794.7859     22708.6919         0.0000         0.0000     43795.3990        -222342.6845       159.3156   -266138.0835   -222059.3901       159.3156          -3190.0136     -2394.0290    921491.4634     -3190.0136     -2394.0290

ENERGY:     353     21825.9773     19344.0939      5676.6445       182.1014        -336147.6552     22699.4232         0.0000         0.0000     44043.1855        -222376.2294       160.2170   -266419.4149   -222047.6766       160.2170          -2709.1541     -2407.4664    921491.4634     -2709.1541     -2407.4664

ENERGY:     354     19814.0379     19544.5093      5682.7360       181.9868        -335375.1826     22676.8665         0.0000         0.0000     44983.0757        -222491.9702       163.6361   -267475.0459   -222046.2246       163.6361          -2040.9897     -2415.4742    921491.4634     -2040.9897     -2415.4742

ENERGY:     355     18879.8417     19773.7510      5689.2466       181.9196        -334823.9959     22664.4420         0.0000         0.0000     45120.2678        -222514.5274       164.1351   -267634.7951   -222044.8385       164.1351          -1600.3168     -2424.6827    921491.4634     -1600.3168     -2424.6827

ENERGY:     356     19622.4371     20015.8110      5694.4280       181.9402        -334758.7693     22674.4078         0.0000         0.0000     44153.0884        -222416.6567       160.6168   -266569.7451   -222053.0964       160.6168          -1622.0263     -2446.8266    921491.4634     -1622.0263     -2446.8266

ENERGY:     357     20687.2712     20255.1056      5697.1708       182.0215        -335288.0647     22700.2947         0.0000         0.0000     43438.0176        -222328.1833       158.0156   -265766.2009   -222042.2332       158.0156          -2061.3608     -2486.6662    921491.4634     -2061.3608     -2486.6662

ENERGY:     358     20785.4066     20424.8430      5696.9833       182.1295        -336225.9480     22730.2417         0.0000         0.0000     44019.5821        -222386.7618       160.1311   -266406.3439   -222043.9947       160.1311          -2636.8582     -2541.3593    921491.4634     -2636.8582     -2541.3593

ENERGY:     359     20493.6441     20484.4985      5694.4424       182.1894        -337270.5929     22762.0667         0.0000         0.0000     45152.8976        -222500.8542       164.2538   -267653.7518   -222046.1004       164.2538          -3161.2178     -2593.4281    921491.4634     -3161.2178     -2593.4281

TIMING: 360  CPU: 169.784, 0.458695/step  Wall: 169.784, 0.458695/step, 0.0178381 hours remaining, 3224.078125 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     360     21112.5812     20418.0334      5690.9152       182.1442        -338077.5506     22797.1676         0.0000         0.0000     45362.4565        -222514.2525       165.0161   -267876.7090   -222065.3877       165.0161          -3505.9503     -2622.8571    921491.4634     -3505.9503     -2622.8571

ENERGY:     361     22462.8274     20259.6926      5688.3191       181.9496        -338397.1523     22827.2220         0.0000         0.0000     44580.8517        -222396.2898       162.1729   -266977.1415   -222052.4541       162.1729          -3542.5441     -2618.5018    921491.4634     -3542.5441     -2618.5018

ENERGY:     362     22808.6001     20031.2790      5688.3204       181.6678        -338079.7609     22835.7525         0.0000         0.0000     44200.9549        -222333.1862       160.7909   -266534.1411   -222051.2758       160.7909          -3087.0694     -2583.1904    921491.4634     -3087.0694     -2583.1904

ENERGY:     363     21303.6019     19794.1188      5692.1162       181.3427        -337235.0086     22818.0651         0.0000         0.0000     45033.6624        -222412.1015       163.8201   -267445.7640   -222049.5301       163.8201          -2242.6816     -2529.7063    921491.4634     -2242.6816     -2529.7063

ENERGY:     364     19323.8974     19612.6014      5699.8913       181.0103        -336175.1996     22790.5192         0.0000         0.0000     46034.3486        -222532.9314       167.4603   -268567.2800   -222068.5919       167.4603          -1420.0424     -2476.3757    921491.4634     -1420.0424     -2476.3757

ENERGY:     365     18830.5839     19548.3420      5710.7558       180.6856        -335316.0968     22775.7830         0.0000         0.0000     45760.0885        -222509.8578       166.4626   -268269.9463   -222057.4403       166.4626          -1100.2606     -2433.4823    921491.4634     -1100.2606     -2433.4823

ENERGY:     366     19854.2638     19578.5649      5722.5903       180.3919        -334923.1928     22780.3502         0.0000         0.0000     44422.2468        -222384.7850       161.5959   -266807.0318   -222057.2778       161.5959          -1392.6926     -2417.6863    921491.4634     -1392.6926     -2417.6863

ENERGY:     367     20741.0597     19662.8836      5732.9484       180.1165        -335098.3158     22794.3494         0.0000         0.0000     43662.6181        -222324.3401       158.8326   -265986.9583   -222058.3714       158.8326          -2104.1274     -2437.9269    921491.4634     -2104.1274     -2437.9269

ENERGY:     368     20561.5938     19748.2122      5739.6691       179.8275        -335728.0876     22808.6652         0.0000         0.0000     44272.8404        -222417.2794       161.0524   -266690.1198   -222068.2914       161.0524          -2928.4887     -2487.3070    921491.4634     -2928.4887     -2487.3070

ENERGY:     369     20346.9678     19812.6208      5741.6370       179.5048        -336580.3310     22825.3359         0.0000         0.0000     45155.6306        -222518.6341       164.2638   -267674.2647   -222061.1002       164.2638          -3666.9891     -2542.4573    921491.4634     -3666.9891     -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     21302.3705     19815.7285      5738.6028       179.1429        -337296.0556     22846.3050         0.0000         0.0000     44920.4942        -222493.4117       163.4084   -267413.9059   -222062.2627       163.4084          -4081.4435     -2576.8189    921491.4634     -4081.4435     -2576.8189

ENERGY:     371     22799.2770     19758.4810      5731.5881       178.8004        -337606.4372     22861.3511         0.0000         0.0000     43904.8961        -222372.0435       159.7139   -266276.9395   -222061.9340       159.7139          -3956.1479     -2578.2816    921491.4634     -3956.1479     -2578.2816

ENERGY:     372     22964.3596     19665.2852      5722.4284       178.5955        -337391.7874     22854.0837         0.0000         0.0000     43672.6555        -222334.3796       158.8691   -266007.0351   -222060.3199       158.8691          -3189.3380     -2552.6172    921491.4634     -3189.3380     -2552.6172

ENERGY:     373     21253.1596     19603.3418      5713.4759       178.7080        -336784.3117     22822.4881         0.0000         0.0000     44782.9950        -222430.1432       162.9082   -267213.1382   -222050.3118       162.9082          -2037.0648     -2511.6656    921491.4634     -2037.0648     -2511.6656

ENERGY:     374     19285.9365     19613.0721      5706.5680       179.1985        -336019.1237     22785.5048         0.0000         0.0000     45912.3279        -222536.5159       167.0164   -268448.8438   -222048.2694       167.0164           -983.4305     -2469.0310    921491.4634      -983.4305     -2469.0310

ENERGY:     375     18893.7028     19735.2395      5703.0316       180.0533        -335443.7689     22766.6833         0.0000         0.0000     45660.9720        -222504.0865       166.1021   -268165.0584   -222047.0948       166.1021           -539.4860     -2439.8661    921491.4634      -539.4860     -2439.8661

ENERGY:     376     19884.0273     19962.1764      5703.2010       181.1433        -335321.8634     22772.8700         0.0000         0.0000     44434.3275        -222384.1180       161.6399   -266818.4454   -222050.5534       161.6399           -874.6222     -2439.6903    921491.4634      -874.6222     -2439.6903

ENERGY:     377     20646.4608     20251.1593      5706.5521       182.3248        -335763.5803     22794.3773         0.0000         0.0000     43848.2753        -222334.4307       159.5080   -266182.7060   -222041.4017       159.5080          -1819.5858     -2472.4986    921491.4634     -1819.5858     -2472.4986

ENERGY:     378     20473.8100     20495.6594      5711.4639       183.2952        -336584.2280     22821.5836         0.0000         0.0000     44474.7534        -222423.6625       161.7869   -266898.4160   -222044.3972       161.7869          -2972.9873     -2523.3499    921491.4634     -2972.9873     -2523.3499

ENERGY:     379     20419.4577     20623.8790      5716.2160       183.8420        -337495.6096     22854.5152         0.0000         0.0000     45185.6411        -222512.0586       164.3729   -267697.6998   -222047.0133       164.3729          -3997.4172     -2563.3072    921491.4634     -3997.4172     -2563.3072

TIMING: 380  CPU: 178.95, 0.458297/step  Wall: 178.95, 0.458297/step, 0.0152766 hours remaining, 3224.078125 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     21458.1131     20605.4119      5719.3306       183.8284        -338176.3448     22892.6528         0.0000         0.0000     44833.7899        -222483.2181       163.0930   -267317.0080   -222063.6480       163.0930          -4580.2701     -2564.2100    921491.4634     -4580.2701     -2564.2100

ENERGY:     381     22824.3126     20467.0310      5720.1164       183.2929        -338395.2407     22923.6568         0.0000         0.0000     43906.3002        -222370.5308       159.7191   -266276.8310   -222053.0347       159.7191          -4470.7195     -2514.6120    921491.4634     -4470.7195     -2514.6120

ENERGY:     382     22844.1903     20220.4985      5718.3197       182.2157        -338010.6528     22930.5471         0.0000         0.0000     43766.5296        -222348.3519       159.2106   -266114.8815   -222051.0363       159.2106          -3524.7148     -2418.5488    921491.4634     -3524.7148     -2418.5488

ENERGY:     383     21263.6992     19910.9245      5714.6670       180.7420        -337128.0222     22911.2843         0.0000         0.0000     44707.9441        -222438.7611       162.6352   -267146.7052   -222048.1880       162.6352          -2023.0802     -2294.0131    921491.4634     -2023.0802     -2294.0131

ENERGY:     384     19625.4113     19596.0353      5710.5349       179.0647        -336052.0482     22884.2532         0.0000         0.0000     45539.1829        -222517.5658       165.6590   -268056.7487   -222062.0926       165.6590           -569.2379     -2166.9357    921491.4634      -569.2379     -2166.9357

ENERGY:     385     19327.8180     19356.8912      5707.7751       177.4354        -335210.6397     22871.6141         0.0000         0.0000     45299.7167        -222469.3890       164.7879   -267769.1057   -222051.0993       164.7879            215.3515     -2064.3636    921491.4634       215.3515     -2064.3636

ENERGY:     386     19981.2272     19220.9465      5707.6637       175.9384        -334865.1814     22880.7955         0.0000         0.0000     44519.8583        -222378.7516       161.9510   -266898.6099   -222051.0438       161.9510            122.6670     -2011.2428    921491.4634       122.6670     -2011.2428

ENERGY:     387     20367.2859     19202.4845      5710.9354       174.6759        -335109.8723     22905.2741         0.0000         0.0000     44377.1814        -222372.0350       161.4320   -266749.2163   -222053.0050       161.4320           -738.9585     -2019.1689    921491.4634      -738.9585     -2019.1689

ENERGY:     388     20282.3986     19280.0168      5717.2934       173.7038        -335824.1517     22938.2898         0.0000         0.0000     44972.7760        -222459.6732       163.5986   -267432.4492   -222067.4818       163.5986          -2063.8554     -2076.2821    921491.4634     -2063.8554     -2076.2821

ENERGY:     389     20685.9713     19431.2565      5725.6291       173.0778        -336772.2802     22978.5917         0.0000         0.0000     45279.3792        -222498.3746       164.7139   -267777.7538   -222059.2966       164.7139          -3501.7339     -2158.1992    921491.4634     -3501.7339     -2158.1992

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     19598.7449      5733.9032       172.7580        -337596.2512     23021.3360         0.0000         0.0000     44698.9837        -222441.0203       162.6026   -267140.0039   -222061.4796       162.6026          -4540.4923     -2229.7774    921491.4634     -4540.4923     -2229.7774

ENERGY:     391     22937.3143     19764.3496      5740.3107       172.7562        -338017.7277     23051.7298         0.0000         0.0000     43987.0072        -222364.2599       160.0126   -266351.2671   -222061.6922       160.0126          -4746.5206     -2270.9348    921491.4634     -4746.5206     -2270.9348

ENERGY:     392     22488.0358     19924.0529      5743.6080       173.0775        -337898.4685     23055.0071         0.0000         0.0000     44125.3369        -222389.3503       160.5158   -266514.6872   -222067.3166       160.5158          -3965.0287     -2276.9602    921491.4634     -3965.0287     -2276.9602

ENERGY:     393     20924.3595     20087.8868      5743.5041       173.6901        -337346.1126     23032.5724         0.0000         0.0000     44913.3820        -222470.7177       163.3825   -267384.0997   -222058.1708       163.3825          -2525.7427     -2257.0109    921491.4634     -2525.7427     -2257.0109

ENERGY:     394     19713.0845     20210.4903      5740.1181       174.4904        -336587.4366     23002.1141         0.0000         0.0000     45247.1173        -222500.0218       164.5966   -267747.1391   -222054.8627       164.5966           -988.4119     -2227.7233    921491.4634      -988.4119     -2227.7233

ENERGY:     395     19644.4019     20265.5069      5734.3763       175.3161        -335972.1481     22982.1018         0.0000         0.0000     44739.8938        -222430.5513       162.7514   -267170.4451   -222052.2371       162.7514             57.9320     -2215.1747    921491.4634        57.9320     -2215.1747

ENERGY:     396     20000.9210     20248.4507      5727.6303       175.9620        -335765.9673     22978.8836         0.0000         0.0000     44270.3052        -222363.8144       161.0432   -266634.1195   -222050.8951       161.0432            285.8962     -2246.0850    921491.4634       285.8962     -2246.0850

ENERGY:     397     19906.7783     20200.7712      5721.4919       176.2273        -336102.8178     22990.0373         0.0000         0.0000     44712.8676        -222394.6443       162.6531   -267107.5119   -222042.6601       162.6531           -376.0864     -2327.2103    921491.4634      -376.0864     -2327.2103

ENERGY:     398     19692.8115     20133.3592      5716.9814       176.0456        -336812.3380     23014.0583         0.0000         0.0000     45592.7322        -222486.3498       165.8538   -268079.0820   -222045.7224       165.8538          -1710.2237     -2443.6966    921491.4634     -1710.2237     -2443.6966

ENERGY:     399     20395.5106     20061.2891      5714.6367       175.4775        -337634.0285     23050.4584         0.0000         0.0000     45731.2027        -222505.4533       166.3575   -268236.6560   -222049.1605       166.3575          -3349.4392     -2564.3621    921491.4634     -3349.4392     -2564.3621

LDB: ============= START OF LOAD BALANCING ============== 194.483
LDB: Largest compute 230 load 0.528783 is 1.2% of average load 45.713961
LDB: Average compute 0.064010 is 0.1% of average load 45.713961
LDB: TIME 194.485 LOAD: AVG 45.714 MAX 45.872  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.08 MB
LDB: TIME 194.486 LOAD: AVG 45.714 MAX 45.872  PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.08 MB
LDB: TIME 194.486 LOAD: AVG 45.714 MAX 45.872  PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.08 MB
LDB: ============== END OF LOAD BALANCING =============== 194.486
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.487
Info: Benchmark time: 4 CPUs 0.458656 s/step 5.30852 days/ns 3224.08 MB memory
TIMING: 400  CPU: 188.119, 0.458412/step  Wall: 188.119, 0.458412/step, 0.0127337 hours remaining, 3224.078125 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     19981.4882      5714.2278       174.7230        -338264.6725     23090.3525         0.0000         0.0000     44890.2683        -222429.6573       163.2985   -267319.9255   -222060.6833       163.2985          -4748.6078     -2656.9999    921491.4634     -4748.6078     -2656.9999

ENERGY:     401     23053.7070     19909.1477      5715.0562       174.0724        -338477.1020     23114.9564         0.0000         0.0000     44157.6678        -222352.4945       160.6335   -266510.1623   -222050.1992       160.6335          -5384.8816     -2700.1795    921491.4634     -5384.8816     -2700.1795

ENERGY:     402     22444.0478     19835.9108      5715.8942       173.8391        -338107.6284     23109.6375         0.0000         0.0000     44436.8097        -222391.4892       161.6489   -266828.2989   -222049.2228       161.6489          -4939.3796     -2681.7026    921491.4634     -4939.3796     -2681.7026

ENERGY:     403     20784.9694     19778.4828      5715.7218       174.2695        -337239.9781     23077.8399         0.0000         0.0000     45225.5961        -222483.0986       164.5183   -267708.6948   -222046.6856       164.5183          -3613.5980     -2605.7430    921491.4634     -3613.5980     -2605.7430

ENERGY:     404     19687.5953     19735.4028      5713.8114       175.5084        -336169.1136     23038.2897         0.0000         0.0000     45313.8391        -222504.6668       164.8393   -267818.5059   -222060.2370       164.8393          -1967.0748     -2494.0439    921491.4634     -1967.0748     -2494.0439

ENERGY:     405     19798.8802     19696.7725      5710.0281       177.6162        -335317.9344     23008.3944         0.0000         0.0000     44511.4434        -222414.7997       161.9204   -266926.2430   -222047.5589       161.9204           -627.4749     -2380.7863    921491.4634      -627.4749     -2380.7863

ENERGY:     406     20210.3504     19614.0444      5704.4965       180.4779        -334953.8233     22994.4759         0.0000         0.0000     43902.7663        -222347.2120       159.7062   -266249.9783   -222046.2403       159.7062             66.0352     -2300.4796    921491.4634        66.0352     -2300.4796

ENERGY:     407     20044.4887     19493.9065      5698.1032       183.8794        -335181.5228     22996.8157         0.0000         0.0000     44376.0635        -222388.2659       161.4279   -266764.3294   -222047.0769       161.4279            -41.3219     -2272.9969    921491.4634       -41.3219     -2272.9969

ENERGY:     408     19735.8469     19387.6645      5692.2152       187.5226        -335902.8217     23017.8169         0.0000         0.0000     45394.4121        -222487.3435       165.1324   -267881.7556   -222063.5314       165.1324           -920.8282     -2294.1557    921491.4634      -920.8282     -2294.1557

ENERGY:     409     20350.1187     19376.4608      5688.4775       191.1593        -336896.6845     23057.9917         0.0000         0.0000     45733.6059        -222498.8706       166.3663   -268232.4765   -222051.6707       166.3663          -2367.4921     -2346.9327    921491.4634     -2367.4921     -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     21850.5210     19470.1803      5687.6649       194.4179        -337813.1844     23106.2024         0.0000         0.0000     45077.0716        -222427.1263       163.9780   -267504.1979   -222054.6430       163.9780          -3838.6213     -2402.0242    921491.4634     -3838.6213     -2402.0242

ENERGY:     411     22931.8000     19651.0977      5689.8741       197.0388        -338354.2243     23140.9040         0.0000         0.0000     44380.5349        -222362.9749       161.4442   -266743.5098   -222056.2117       161.4442          -4745.1592     -2436.8803    921491.4634     -4745.1592     -2436.8803

ENERGY:     412     22535.8950     19878.8221      5694.3233       198.8205        -338356.4972     23146.2930         0.0000         0.0000     44499.5088        -222402.8345       161.8770   -266902.3432   -222068.4601       161.8770          -4717.2141     -2436.3030    921491.4634     -4717.2141     -2436.3030

ENERGY:     413     21130.1417     20138.5249      5699.9334       199.7191        -337872.5317     23125.1110         0.0000         0.0000     45113.2145        -222465.8871       164.1095   -267579.1016   -222055.3455       164.1095          -3850.6272     -2398.9551    921491.4634     -3850.6272     -2398.9551

ENERGY:     414     19987.3857     20381.5507      5705.1135       199.5118        -337122.7795     23094.4551         0.0000         0.0000     45271.6529        -222483.1099       164.6858   -267754.7628   -222052.1625       164.6858          -2501.3245     -2333.9466    921491.4634     -2501.3245     -2333.9466

ENERGY:     415     19745.2666     20572.1259      5708.7452       198.1487        -336456.1970     23071.1985         0.0000         0.0000     44733.2275        -222427.4847       162.7272   -267160.7121   -222049.0348       162.7272          -1174.6455     -2266.5617    921491.4634     -1174.6455     -2266.5617

ENERGY:     416     19942.3169     20661.9896      5710.0857       195.6954        -336157.5858     23063.1708         0.0000         0.0000     44200.2852        -222384.0423       160.7885   -266584.3275   -222052.9646       160.7885           -282.7616     -2224.6899    921491.4634      -282.7616     -2224.6899

ENERGY:     417     20031.3748     20631.3208      5709.0494       192.4696        -336373.1070     23072.1092         0.0000         0.0000     44338.4621        -222398.3212       161.2911   -266736.7832   -222044.6995       161.2911           -112.4555     -2227.1701    921491.4634      -112.4555     -2227.1701

ENERGY:     418     20154.6647     20457.0907      5705.5847       188.6537        -336970.7862     23098.6719         0.0000         0.0000     44915.1424        -222450.9781       163.3889   -267366.1205   -222046.7095       163.3889           -671.8548     -2269.9923    921491.4634      -671.8548     -2269.9923

ENERGY:     419     20790.7630     20185.5522      5700.4810       184.6055        -337717.8750     23139.8016         0.0000         0.0000     45250.3102        -222466.3615       164.6082   -267716.6717   -222049.5952       164.6082          -1783.9423     -2336.6467    921491.4634     -1783.9423     -2336.6467

TIMING: 420  CPU: 197.256, 0.456865/step  Wall: 197.256, 0.456865/step, 0.0101526 hours remaining, 3224.078125 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     21812.8758     19887.3909      5695.0415       180.6770        -338321.5505     23183.0567         0.0000         0.0000     45121.9778        -222440.5308       164.1414   -267562.5085   -222061.1150       164.1414          -3051.6032     -2402.9276    921491.4634     -3051.6032     -2402.9276

ENERGY:     421     22491.6104     19639.6135      5690.9238       177.2518        -338550.3528     23210.1377         0.0000         0.0000     44931.8961        -222408.9195       163.4499   -267340.8156   -222052.6021       163.4499          -4041.3728     -2452.8638    921491.4634     -4041.3728     -2452.8638

ENERGY:     422     22275.7613     19449.5350      5688.9976       174.4058        -338225.0308     23208.5468         0.0000         0.0000     45004.7082        -222423.0760       163.7148   -267427.7842   -222052.8452       163.7148          -4363.1154     -2465.6375    921491.4634     -4363.1154     -2465.6375

ENERGY:     423     21418.8984     19324.4274      5689.6736       172.2146        -337416.8950     23180.6033         0.0000         0.0000     45183.9710        -222447.1066       164.3669   -267631.0776   -222051.5235       164.3669          -3955.8310     -2434.9308    921491.4634     -3955.8310     -2434.9308

ENERGY:     424     20531.3309     19270.7818      5692.6542       170.6563        -336406.2759     23140.4639         0.0000         0.0000     45151.0453        -222449.3435       164.2471   -267600.3887   -222060.4131       164.2471          -3030.1612     -2370.2035    921491.4634     -3030.1612     -2370.2035

ENERGY:     425     19942.3360     19314.5611      5697.3263       169.6877        -335607.5201     23103.7914         0.0000         0.0000     44956.0475        -222423.7702       163.5377   -267379.8177   -222050.7967       163.5377          -1980.9655     -2297.0092    921491.4634     -1980.9655     -2297.0092

ENERGY:     426     19603.3345     19432.3072      5702.4947       169.0990        -335270.6870     23080.2886         0.0000         0.0000     44862.7379        -222420.4250       163.1983   -267283.1630   -222049.1094       163.1983          -1125.8052     -2237.7216    921491.4634     -1125.8052     -2237.7216

ENERGY:     427     19598.5314     19595.2900      5707.1504       168.7509        -335498.4312     23074.5001         0.0000         0.0000     44915.2770        -222438.9314       163.3894   -267354.2084   -222048.7342       163.3894           -741.9010     -2207.6356    921491.4634      -741.9010     -2207.6356

ENERGY:     428     20140.4226     19760.4171      5710.4628       168.5259        -336199.9844     23087.7671         0.0000         0.0000     44884.2589        -222448.1300       163.2766   -267332.3890   -222058.0553       163.2766           -935.5732     -2206.9586    921491.4634      -935.5732     -2206.9586

ENERGY:     429     21147.3674     19912.0618      5712.1358       168.3557        -337181.5897     23116.4514         0.0000         0.0000     44706.5238        -222418.6938       162.6300   -267125.2176   -222045.4884       162.6300          -1630.8086     -2233.4563    921491.4634     -1630.8086     -2233.4563

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

ENERGY:     430     22013.9870     20024.3737      5712.1700       168.1897        -338096.9195     23149.4487         0.0000         0.0000     44626.3094        -222402.4410       162.3382   -267028.7503   -222047.3918       162.3382          -2472.2458     -2268.0466    921491.4634     -2472.2458     -2268.0466

ENERGY:     431     22204.1020     20111.4153      5711.2600       168.0704        -338644.7634     23172.3799         0.0000         0.0000     44858.4624        -222419.0736       163.1828   -267277.5359   -222048.7173       163.1828          -3116.2807     -2293.5592    921491.4634     -3116.2807     -2293.5592

ENERGY:     432     21768.3702     20188.6725      5710.3547       168.1086        -338651.2091     23176.0840         0.0000         0.0000     45177.9903        -222461.6289       164.3451   -267639.6192   -222065.9062       164.3451          -3350.2744     -2296.1499    921491.4634     -3350.2744     -2296.1499

ENERGY:     433     21200.9070     20275.9665      5710.3763       168.4633        -338164.0628     23162.2905         0.0000         0.0000     45192.9276        -222453.1315       164.3994   -267646.0591   -222052.5986       164.3994          -3187.3736     -2272.1278    921491.4634     -3187.3736     -2272.1278

ENERGY:     434     20730.3411     20338.1501      5711.6061       169.3247        -337394.2695     23140.7730         0.0000         0.0000     44883.0990        -222420.9756       163.2724   -267304.0745   -222051.1466       163.2724          -2694.3110     -2227.7887    921491.4634     -2694.3110     -2227.7887

ENERGY:     435     20235.2199     20362.4017      5714.0003       170.8455        -336680.6546     23123.4092         0.0000         0.0000     44675.9832        -222398.7948       162.5189   -267074.7780   -222049.5893       162.5189          -2061.3584     -2179.8953    921491.4634     -2061.3584     -2179.8953

ENERGY:     436     19670.9240     20349.9983      5717.2345       173.0864        -336303.8802     23119.9072         0.0000         0.0000     44847.0977        -222425.6319       163.1414   -267272.7297   -222059.6962       163.1414          -1520.6598     -2145.1618    921491.4634     -1520.6598     -2145.1618

ENERGY:     437     19434.5513     20329.5094      5720.9894       175.9827        -336411.9776     23136.3862         0.0000         0.0000     45159.2683        -222455.2903       164.2770   -267614.5586   -222050.7505       164.2770          -1319.1168     -2134.4849    921491.4634     -1319.1168     -2134.4849

ENERGY:     438     19935.1529     20278.6097      5724.6884       179.3848        -336899.4569     23173.5513         0.0000         0.0000     45148.1322        -222459.9376       164.2365   -267608.0697   -222051.5670       164.2365          -1493.0941     -2145.0882    921491.4634     -1493.0941     -2145.0882

ENERGY:     439     21052.7405     20184.4298      5727.7929       183.0561        -337561.7713     23224.7476         0.0000         0.0000     44760.8210        -222428.1835       162.8276   -267189.0044   -222052.7967       162.8276          -1936.1989     -2169.8748    921491.4634     -1936.1989     -2169.8748

TIMING: 440  CPU: 206.399, 0.45716/step  Wall: 206.399, 0.45716/step, 0.00761934 hours remaining, 3224.078125 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     22071.5682     20036.2374      5729.7527       186.7202        -338123.1803     23276.2480         0.0000         0.0000     44417.5457        -222405.1081       161.5788   -266822.6539   -222059.4775       161.5788          -2408.4615     -2197.9674    921491.4634     -2408.4615     -2197.9674

ENERGY:     441     22355.5486     19860.0413      5730.3488       190.1146        -338361.1713     23313.2038         0.0000         0.0000     44502.6962        -222409.2181       161.8886   -266911.9143   -222050.0862       161.8886          -2716.1031     -2221.5316    921491.4634     -2716.1031     -2221.5316

ENERGY:     442     21853.6118     19664.5354      5729.4854       192.9412        -338090.1532     23327.1561         0.0000         0.0000     44880.6317        -222441.7915       163.2634   -267322.4232   -222049.7757       163.2634          -2710.5580     -2229.0699    921491.4634     -2710.5580     -2229.0699

ENERGY:     443     21064.3316     19487.0728      5727.6165       194.9329        -337369.3148     23320.0151         0.0000         0.0000     45118.1104        -222457.2356       164.1273   -267575.3459   -222048.5998       164.1273          -2448.1653     -2220.3534    921491.4634     -2448.1653     -2220.3534

ENERGY:     444     20449.3362     19357.2695      5725.4095       195.8735        -336464.1919     23301.5269         0.0000         0.0000     44987.7173        -222447.0590       163.6530   -267434.7763   -222057.9799       163.6530          -2090.2102     -2206.4401    921491.4634     -2090.2102     -2206.4401

ENERGY:     445     20125.5606     19307.2522      5723.6513       195.6942        -335759.3909     23283.8131         0.0000         0.0000     44708.7152        -222414.7043       162.6380   -267123.4194   -222046.5429       162.6380          -1846.9628     -2201.6927    921491.4634     -1846.9628     -2201.6927

ENERGY:     446     19947.6801     19324.9008      5722.5430       194.3235        -335494.5700     23276.0443         0.0000         0.0000     44620.2943        -222408.7840       162.3164   -267029.0783   -222046.1621       162.3164          -1800.7518     -2216.7295    921491.4634     -1800.7518     -2216.7295

ENERGY:     447     19914.2843     19416.0211      5722.2107       191.8642        -335769.4390     23282.7450         0.0000         0.0000     44816.5086        -222425.8051       163.0301   -267242.3137   -222046.8344       163.0301          -1993.3112     -2253.0604    921491.4634     -1993.3112     -2253.0604

ENERGY:     448     20187.5916     19583.6799      5722.5765       188.5554        -336503.1790     23303.8896         0.0000         0.0000     45065.6672        -222451.2187       163.9365   -267516.8859   -222059.3482       163.9365          -2372.1878     -2303.7900    921491.4634     -2372.1878     -2303.7900

ENERGY:     449     20877.4056     19832.6984      5723.5713       184.8596        -337500.9060     23334.5915         0.0000         0.0000     45101.1675        -222446.6121       164.0657   -267547.7795   -222047.7101       164.0657          -2827.1081     -2356.1409    921491.4634     -2827.1081     -2356.1409

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

ENERGY:     450     21754.4852     20108.1298      5724.4776       181.0898        -338419.3238     23364.6235         0.0000         0.0000     44854.3091        -222432.2088       163.1676   -267286.5179   -222048.7862       163.1676          -3116.6758     -2394.3898    921491.4634     -3116.6758     -2394.3898

ENERGY:     451     22355.5902     20357.7253      5724.7144       177.6517        -338952.0897     23381.8000         0.0000         0.0000     44542.6980        -222411.9102       162.0341   -266954.6081   -222048.8247       162.0341          -3074.2536     -2405.7799    921491.4634     -3074.2536     -2405.7799

ENERGY:     452     22246.2014     20536.0133      5723.8953       174.8859        -338927.1528     23378.0936         0.0000         0.0000     44452.9189        -222415.1443       161.7075   -266868.0632   -222059.6374       161.7075          -2659.9608     -2384.7569    921491.4634     -2659.9608     -2384.7569

ENERGY:     453     21399.8725     20641.1310      5722.2878       173.1350        -338392.7924     23354.5901         0.0000         0.0000     44683.7026        -222418.0734       162.5470   -267101.7760   -222043.5375       162.5470          -2048.3342     -2342.4669    921491.4634     -2048.3342     -2342.4669

ENERGY:     454     20248.3380     20654.1373      5720.2217       172.3637        -337567.1405     23320.6895         0.0000         0.0000     45008.1458        -222443.2445       163.7273   -267451.3903   -222041.8395       163.7273          -1453.4581     -2293.1451    921491.4634     -1453.4581     -2293.1451

ENERGY:     455     19486.7905     20584.7119      5718.4844       172.5169        -336790.6443     23290.4017         0.0000         0.0000     45086.5782        -222451.1607       164.0126   -267537.7389   -222040.8574       164.0126          -1151.8825     -2255.8572    921491.4634     -1151.8825     -2255.8572

ENERGY:     456     19493.3719     20440.6799      5717.7556       173.4248        -336350.1065     23274.9625         0.0000         0.0000     44811.4720        -222438.4398       163.0118   -267249.9118   -222055.3488       163.0118          -1305.5004     -2245.5824    921491.4634     -1305.5004     -2245.5824

ENERGY:     457     20047.4925     20251.9434      5718.5580       174.9241        -336395.8155     23277.8268         0.0000         0.0000     44521.8702        -222403.2005       161.9583   -266925.0706   -222049.4135       161.9583          -1906.4164     -2263.5014    921491.4634     -1906.4164     -2263.5014

ENERGY:     458     20585.8431     20019.2724      5720.7061       176.6081        -336835.0951     23294.7167         0.0000         0.0000     44632.7887        -222405.1602       162.3618   -267037.9488   -222051.2825       162.3618          -2684.6986     -2301.0428    921491.4634     -2684.6986     -2301.0428

ENERGY:     459     20903.4943     19784.9692      5724.0021       178.1984        -337468.1638     23318.6977         0.0000         0.0000     45113.9366        -222444.8655       164.1121   -267558.8020   -222053.1414       164.1121          -3350.5832     -2341.5798    921491.4634     -3350.5832     -2341.5798

TIMING: 460  CPU: 215.546, 0.457328/step  Wall: 215.546, 0.457328/step, 0.00508142 hours remaining, 3224.078125 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     21262.6137     19597.9067      5728.0971       179.4910        -338014.3763     23341.7995         0.0000         0.0000     45423.8564        -222480.6118       165.2395   -267904.4682   -222064.6837       165.2395          -3669.8204     -2365.2415    921491.4634     -3669.8204     -2365.2415

ENERGY:     461     21862.8762     19507.1080      5732.5753       180.4333        -338251.6213     23355.3929         0.0000         0.0000     45154.6136        -222458.6221       164.2601   -267613.2357   -222058.0509       164.2601          -3556.1670     -2361.1802    921491.4634     -3556.1670     -2361.1802

ENERGY:     462     22264.2255     19487.8114      5736.4822       180.9531        -337988.7168     23351.1079         0.0000         0.0000     44559.9290        -222408.2076       162.0968   -266968.1366   -222056.7216       162.0968          -2954.8205     -2323.4253    921491.4634     -2954.8205     -2323.4253

ENERGY:     463     21821.1791     19513.9021      5738.9361       181.1160        -337284.1027     23326.9471         0.0000         0.0000     44313.4570        -222388.5654       161.2002   -266702.0224   -222054.6244       161.2002          -2012.4429     -2264.0781    921491.4634     -2012.4429     -2264.0781

ENERGY:     464     20535.2460     19559.9276      5739.2518       181.0096        -336389.3839     23291.1935         0.0000         0.0000     44654.0266        -222428.7288       162.4391   -267082.7554   -222058.5733       162.4391          -1050.9231     -2205.5271    921491.4634     -1050.9231     -2205.5271

ENERGY:     465     19322.7826     19631.8856      5737.2899       180.7155        -335701.1531     23259.7384         0.0000         0.0000     45094.5687        -222474.1724       164.0416   -267568.7411   -222052.9392       164.0416           -512.3350     -2174.4011    921491.4634      -512.3350     -2174.4011

ENERGY:     466     19088.4508     19708.3582      5733.2107       180.2808        -335443.7721     23245.0596         0.0000         0.0000     45020.7909        -222467.6211       163.7733   -267488.4119   -222052.9790       163.7733           -630.3316     -2182.6713    921491.4634      -630.3316     -2182.6713

ENERGY:     467     19841.8067     19783.1742      5727.6704       179.7757        -335721.0945     23249.4522         0.0000         0.0000     44523.6667        -222415.5487       161.9649   -266939.2154   -222054.3499       161.9649          -1393.6031     -2232.5927    921491.4634     -1393.6031     -2232.5927

ENERGY:     468     20761.8479     19845.4941      5721.5090       179.2779        -336451.5656     23265.8117         0.0000         0.0000     44291.6587        -222385.9664       161.1209   -266677.6251   -222056.3592       161.1209          -2508.6715     -2314.1342    921491.4634     -2508.6715     -2314.1342

ENERGY:     469     21236.3014     19910.2019      5715.6824       178.8504        -337458.3192     23284.3954         0.0000         0.0000     44720.3203        -222412.5673       162.6802   -267132.8877   -222046.0751       162.6802          -3596.7407     -2405.7975    921491.4634     -3596.7407     -2405.7975

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

ENERGY:     470     21411.1731     19972.8933      5710.9491       178.5947        -338383.2498     23297.0664         0.0000         0.0000     45346.4575        -222466.1157       164.9579   -267812.5732   -222047.6090       164.9579          -4259.6998     -2477.6834    921491.4634     -4259.6998     -2477.6834

ENERGY:     471     21732.8678     20054.6834      5707.9626       178.5890        -338913.2444     23297.5077         0.0000         0.0000     45471.3367        -222470.2972       165.4122   -267941.6338   -222047.5360       165.4122          -4290.5687     -2504.3178    921491.4634     -4290.5687     -2504.3178

ENERGY:     472     22081.2362     20161.5550      5707.0091       178.9047        -338870.6758     23279.4483         0.0000         0.0000     45028.5297        -222433.9929       163.8014   -267462.5225   -222059.5058       163.8014          -3659.7365     -2479.9187    921491.4634     -3659.7365     -2479.9187

ENERGY:     473     21866.1363     20289.3424      5707.9843       179.6165        -338307.7182     23240.7355         0.0000         0.0000     44634.5174        -222389.3858       162.3681   -267023.9032   -222043.8539       162.3681          -2556.3621     -2408.1661    921491.4634     -2556.3621     -2408.1661

ENERGY:     474     20842.9704     20372.0984      5710.2161       180.7467        -337438.4542     23189.2340         0.0000         0.0000     44733.2307        -222409.9581       162.7272   -267143.1888   -222041.2619       162.7272          -1295.5529     -2316.2731    921491.4634     -1295.5529     -2316.2731

ENERGY:     475     19674.2079     20371.7671      5712.9876       182.2512        -336604.2303     23142.3809         0.0000         0.0000     45070.2139        -222450.4216       163.9531   -267520.6355   -222039.4529       163.9531           -344.6452     -2232.2129    921491.4634      -344.6452     -2232.2129

ENERGY:     476     19235.7860     20282.0272      5715.7683       184.0125        -336100.0894     23115.8458         0.0000         0.0000     45106.0634        -222460.5862       164.0835   -267566.6496   -222053.6139       164.0835            -92.4052     -2183.0655    921491.4634       -92.4052     -2183.0655

ENERGY:     477     19704.7247     20145.9812      5718.4976       185.9230        -336101.8781     23114.2931         0.0000         0.0000     44812.3208        -222420.1375       163.0149   -267232.4584   -222044.8412       163.0149           -667.4948     -2171.8231    921491.4634      -667.4948     -2171.8231

ENERGY:     478     20493.4774     19974.7639      5721.0254       187.7262        -336537.4028     23131.2452         0.0000         0.0000     44627.0331        -222402.1315       162.3409   -267029.1647   -222047.4108       162.3409          -1807.1605     -2198.7959    921491.4634     -1807.1605     -2198.7959

ENERGY:     479     21125.3057     19793.3958      5723.3295       189.2099        -337215.5831     23156.6764         0.0000         0.0000     44802.1574        -222425.5083       162.9779   -267227.6658   -222050.5461       162.9779          -3089.8517     -2246.7920    921491.4634     -3089.8517     -2246.7920

TIMING: 480  CPU: 224.687, 0.457074/step  Wall: 224.687, 0.457074/step, 0.0025393 hours remaining, 3224.078125 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     21624.0327     19623.1968      5725.3111       190.1901        -337854.6777     23181.5110         0.0000         0.0000     45051.6810        -222458.7551       163.8856   -267510.4361   -222064.6211       163.8856          -4077.7328     -2291.4894    921491.4634     -4077.7328     -2291.4894

ENERGY:     481     22092.4854     19510.0437      5727.0953       190.6351        -338199.2473     23196.7951         0.0000         0.0000     45041.3364        -222440.8563       163.8480   -267482.1927   -222052.5266       163.8480          -4466.2396     -2305.6735    921491.4634     -4466.2396     -2305.6735

ENERGY:     482     22186.3467     19466.6797      5728.4964       190.3598        -338044.5410     23192.7466         0.0000         0.0000     44865.8517        -222414.0601       163.2096   -267279.9117   -222051.4113       163.2096          -4059.3101     -2278.0618    921491.4634     -4059.3101     -2278.0618

ENERGY:     483     21553.1412     19511.5747      5729.5661       189.3227        -337426.2176     23165.8733         0.0000         0.0000     44861.8967        -222414.8430       163.1953   -267276.7397   -222048.7673       163.1953          -2964.1725     -2216.4119    921491.4634     -2964.1725     -2216.4119

ENERGY:     484     20460.8925     19631.1939      5730.2465       187.5455        -336590.8877     23126.1344         0.0000         0.0000     45003.6030        -222451.2719       163.7107   -267454.8750   -222059.8744       163.7107          -1565.2428     -2143.1852    921491.4634     -1565.2428     -2143.1852

ENERGY:     485     19688.7719     19800.2991      5730.5256       185.2458        -335902.5859     23092.8463         0.0000         0.0000     44955.5724        -222449.3248       163.5360   -267404.8971   -222045.9608       163.5360           -422.1572     -2086.8738    921491.4634      -422.1572     -2086.8738

ENERGY:     486     19602.5426     19954.8175      5729.7198       182.4662        -335612.3560     23080.3801         0.0000         0.0000     44645.9116        -222416.5184       162.4096   -267062.4299   -222044.6763       162.4096             87.3178     -2070.0985    921491.4634        87.3178     -2070.0985

ENERGY:     487     19881.0924     20072.0212      5727.4348       179.4360        -335846.4475     23091.0538         0.0000         0.0000     44503.3493        -222392.0602       161.8910   -266895.4094   -222045.2409       161.8910           -192.2349     -2106.8843    921491.4634      -192.2349     -2106.8843

ENERGY:     488     20125.2097     20156.1361      5723.5441       176.4338        -336552.5445     23118.8611         0.0000         0.0000     44827.0557        -222425.3041       163.0685   -267252.3598   -222057.1939       163.0685          -1145.7535     -2194.6681    921491.4634     -1145.7535     -2194.6681

ENERGY:     489     20526.8871     20236.4609      5718.5749       173.8639        -337540.4650     23156.7305         0.0000         0.0000     45266.1004        -222461.8473       164.6656   -267727.9477   -222045.6086       164.6656          -2511.2406     -2316.7068    921491.4634     -2511.2406     -2316.7068

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

ENERGY:     490     21410.7491     20292.9022      5712.8912       171.8438        -338458.1357     23196.4873         0.0000         0.0000     45213.5628        -222459.6993       164.4745   -267673.2621   -222048.2208       164.4745          -3823.4040     -2437.4156    921491.4634     -3823.4040     -2437.4156

ENERGY:     491     22430.4641     20312.1360      5707.3795       170.5404        -338984.5790     23226.0933         0.0000         0.0000     44733.0088        -222404.9568       162.7264   -267137.9657   -222049.4638       162.7264          -4629.6935     -2524.6216    921491.4634     -4629.6935     -2524.6216

ENERGY:     492     22612.9547     20289.6810      5702.9945       170.0208        -338937.5813     23232.7201         0.0000         0.0000     44542.1951        -222387.0152       162.0323   -266929.2103   -222060.3861       162.0323          -4606.8526     -2557.4731    921491.4634     -4606.8526     -2557.4731

ENERGY:     493     21558.2186     20260.7373      5700.7779       170.3201        -338358.0630     23214.0533         0.0000         0.0000     45033.8232        -222420.1327       163.8207   -267453.9559   -222046.5902       163.8207          -3796.3821     -2540.0998    921491.4634     -3796.3821     -2540.0998

ENERGY:     494     20068.3365     20225.0260      5700.9806       171.2193        -337454.3832     23183.0791         0.0000         0.0000     45622.2477        -222483.4941       165.9612   -268105.7418   -222044.0869       165.9612          -2500.8995     -2482.1070    921491.4634     -2500.8995     -2482.1070

ENERGY:     495     19383.2462     20186.8300      5703.5926       172.5416        -336566.9883     23159.4621         0.0000         0.0000     45484.1231        -222477.1926       165.4587   -267961.3157   -222041.5565       165.4587          -1249.6840     -2407.3058    921491.4634     -1249.6840     -2407.3058

ENERGY:     496     19722.4833     20130.6473      5708.0350       174.0933        -335998.7151     23154.2632         0.0000         0.0000     44699.5268        -222409.6662       162.6046   -267109.1930   -222049.0672       162.6046           -478.9000     -2343.4753    921491.4634      -478.9000     -2343.4753

ENERGY:     497     20212.6667     20059.9178      5713.4613       175.7242        -335952.5037     23166.3542         0.0000         0.0000     44261.0285        -222363.3512       161.0095   -266624.3797   -222042.7502       161.0095           -421.0234     -2316.7930    921491.4634      -421.0234     -2316.7930

ENERGY:     498     20182.0164     19957.1218      5718.5597       177.2604        -336366.4927     23189.3581         0.0000         0.0000     44728.2529        -222413.9235       162.7091   -267142.1764   -222044.5222       162.7091           -993.4680     -2331.6474    921491.4634      -993.4680     -2331.6474

ENERGY:     499     20158.0678     19847.7311      5722.4090       178.6361        -337058.4817     23219.2400         0.0000         0.0000     45439.2636        -222493.1341       165.2956   -267932.3977   -222047.2064       165.2956          -2020.8688     -2376.3392    921491.4634     -2020.8688     -2376.3392

Info: Benchmark time: 4 CPUs 0.45638 s/step 5.28218 days/ns 3224.08 MB memory
TIMING: 500  CPU: 233.757, 0.453483/step  Wall: 233.757, 0.453483/step, 0 hours remaining, 3224.078125 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     500     20974.8937     19756.6586      5724.4523       179.8271        -337741.4183     23251.1004         0.0000         0.0000     45359.0768        -222495.4093       165.0039   -267854.4862   -222061.0912       165.0039          -3197.5169     -2425.4143    921491.4634     -3197.5169     -2425.4143

WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.332 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.332 MB of memory in use
====================================================

WallClock: 241.006821  CPUTime: 241.006821  Memory: 3229.332031 MB
[Partition 0][Node 0] End of program
Application 102549142 resources: utime ~948s, stime ~18s, Rss ~126808, inblocks ~67012, outblocks ~72238
Displaying status file:
verified

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

[workspace] $ /bin/sh -xe /tmp/jenkins6314313902236513061.sh
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/memory
Finished: SUCCESS