Skip to content
Success

Console Output

Skipping 718 KB.. Full Log
ENERGY:      86     22361.2995     19720.3241      5758.5583       173.6091        -332514.8436     22921.5212         0.0000         0.0000     39480.2342        -222099.2972       143.6182   -261579.5314   -222396.4727       143.6182          -1408.4307     -1992.0455    921491.4634     -1408.4307     -1992.0455

ENERGY:      87     21898.5872     20858.8152      5750.7775       172.4431        -333299.4426     22859.7331         0.0000         0.0000     39513.3018        -222245.7846       143.7385   -261759.0864   -222398.3221       143.7385          -1739.2134     -2002.6067    921491.4634     -1739.2134     -2002.6067

ENERGY:      88     19807.2123     21236.1262      5737.2297       173.3188        -334313.4193     22793.0785         0.0000         0.0000     42007.3339        -222559.1198       152.8111   -264566.4538   -222408.9127       152.8111          -2036.3958     -2043.8954    921491.4634     -2036.3958     -2043.8954

ENERGY:      89     20138.2921     20745.5547      5719.3133       176.3160        -335202.8321     22743.6988         0.0000         0.0000     43113.7498        -222565.9074       156.8360   -265679.6572   -222389.0012       156.8360          -2409.8247     -2071.1686    921491.4634     -2409.8247     -2071.1686

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

ENERGY:      90     22711.6049     19691.0677      5699.8921       181.1111        -335712.1131     22705.2746         0.0000         0.0000     42377.6758        -222345.4869       154.1583   -264723.1627   -222389.2092       154.1583          -2670.9833     -2080.5818    921491.4634     -2670.9833     -2080.5818

ENERGY:      91     23737.5990     18627.1146      5683.0577       187.2277        -335678.4157     22643.5819         0.0000         0.0000     42539.3829        -222260.4520       154.7466   -264799.8350   -222388.3579       154.7466          -2499.0955     -2078.8098    921491.4634     -2499.0955     -2078.8098

ENERGY:      92     21523.8222     18060.4537      5672.6738       194.0387        -335129.0788     22543.7115         0.0000         0.0000     44665.3078        -222469.0711       162.4801   -267134.3789   -222389.6061       162.4801          -1910.9685     -2078.9076    921491.4634     -1910.9685     -2078.9076

ENERGY:      93     18788.3598     18281.5995      5671.3717       200.9119        -334319.2926     22433.7892         0.0000         0.0000     46311.8833        -222631.3773       168.4699   -268943.2606   -222367.8863       168.4699          -1385.1719     -2068.2566    921491.4634     -1385.1719     -2068.2566

ENERGY:      94     18530.9327     19242.9914      5679.4418       207.1113        -333693.3063     22351.2077         0.0000         0.0000     45144.9171        -222536.7042       164.2248   -267681.6213   -222367.0866       164.2248          -1347.2600     -2063.4576    921491.4634     -1347.2600     -2063.4576

ENERGY:      95     20040.4585     20654.3436      5695.3527       212.0382        -333603.6978     22302.2586         0.0000         0.0000     42387.6997        -222311.5465       154.1948   -264699.2462   -222367.4636       154.1948          -1793.7082     -2083.6408    921491.4634     -1793.7082     -2083.6408

ENERGY:      96     20584.1063     22050.3788      5716.0483       215.1945        -334091.8989     22265.7317         0.0000         0.0000     40970.7076        -222289.7316       149.0402   -263260.4392   -222356.3660       149.0402          -2389.6989     -2142.8256    921491.4634     -2389.6989     -2142.8256

ENERGY:      97     19809.1308     22949.2011      5737.7476       216.2279        -334886.9638     22225.8322         0.0000         0.0000     41505.2398        -222443.5845       150.9847   -263948.8242   -222346.5815       150.9847          -2891.9373     -2214.1665    921491.4634     -2891.9373     -2214.1665

ENERGY:      98     19979.7555     22958.8353      5756.3117       214.8681        -335616.8429     22188.2114         0.0000         0.0000     41993.4227        -222525.4382       152.7605   -264518.8608   -222347.6397       152.7605          -3206.5489     -2272.3421    921491.4634     -3206.5489     -2272.3421

ENERGY:      99     22029.8951     22024.0795      5768.5777       211.0972        -336009.8228     22159.4701         0.0000         0.0000     41425.1768        -222391.5263       150.6934   -263816.7031   -222348.0704       150.6934          -3235.8098     -2296.7688    921491.4634     -3235.8098     -2296.7688

LDB: ============= START OF LOAD BALANCING ============== 54.2225
LDB: Largest compute 200 load 0.430705 is 1.2% of average load 36.785702
LDB: Average compute 0.051525 is 0.1% of average load 36.785702
LDB: Partitioning computes with target load 3.678570
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.056128
LDB: ============== END OF LOAD BALANCING =============== 54.2246
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2255
Info: Initial time: 4 CPUs 0.473983 s/step 5.48591 days/ns 3221.6 MB memory
TIMING: 100  CPU: 48.3695, 0.473124/step  Wall: 48.3695, 0.473124/step, 0.0525693 hours remaining, 3221.597656 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     23587.3021     20475.3729      5773.0376       205.1509        -335896.4622     22125.7987         0.0000         0.0000     41455.8049        -222273.9951       150.8048   -263729.8000   -222326.1726       150.8048          -2788.3921     -2294.3880    921491.4634     -2788.3921     -2294.3880

ENERGY:     101     22287.3000     18933.8501      5770.3900       197.5201        -335238.2412     22065.3980         0.0000         0.0000     43590.2955        -222393.4875       158.5695   -265983.7830   -222319.4707       158.5695          -1880.2675     -2262.6846    921491.4634     -1880.2675     -2262.6846

ENERGY:     102     19420.3336     17951.6561      5762.8059       188.8891        -334088.2233     21980.7895         0.0000         0.0000     46153.7217        -222630.0275       167.8946   -268783.7491   -222317.3982       167.8946           -924.5796     -2215.2271    921491.4634      -924.5796     -2215.2271

ENERGY:     103     18429.6588     17794.2510      5753.5002       180.0834        -332765.4444     21898.9792         0.0000         0.0000     46061.5884        -222647.3835       167.5594   -268708.9719   -222315.0116       167.5594           -521.9324     -2162.1475    921491.4634      -521.9324     -2162.1475

ENERGY:     104     20135.5160     18313.1191      5745.4365       171.9705        -331716.6192     21838.6801         0.0000         0.0000     43114.8219        -222397.0750       156.8399   -265511.8969   -222300.0344       156.8399           -904.7452     -2132.5694    921491.4634      -904.7452     -2132.5694

ENERGY:     105     21674.8146     19112.5118      5740.5773       165.3638        -331353.5904     21791.8562         0.0000         0.0000     40663.3131        -222205.1535       147.9220   -262868.4666   -222297.2864       147.9220          -1781.0301     -2140.0925    921491.4634     -1781.0301     -2140.0925

ENERGY:     106     20688.3525     19760.1602      5739.0355       160.9482        -331684.6911     21743.4748         0.0000         0.0000     41270.8908        -222321.8291       150.1322   -263592.7199   -222299.8105       150.1322          -2687.8653     -2192.8737    921491.4634     -2687.8653     -2192.8737

ENERGY:     107     18828.1850     20041.3659      5739.7936       159.1631        -332486.5660     21693.8616         0.0000         0.0000     43452.4231        -222571.7737       158.0680   -266024.1968   -222302.3926       158.0680          -3435.4054     -2264.9714    921491.4634     -3435.4054     -2264.9714

ENERGY:     108     19374.7526     19955.6335      5740.9974       160.1493        -333435.9262     21654.4582         0.0000         0.0000     43952.1728        -222597.7625       159.8859   -266549.9353   -222305.0564       159.8859          -3989.5483     -2325.7046    921491.4634     -3989.5483     -2325.7046

ENERGY:     109     22394.0521     19651.8555      5740.7059       163.7566        -334323.6677     21623.9119         0.0000         0.0000     42380.9038        -222368.4819       154.1701   -264749.3857   -222289.2482       154.1701          -4162.2878     -2354.5142    921491.4634     -4162.2878     -2354.5142

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

ENERGY:     110     24310.7314     19315.3192      5736.8740       169.5643        -334907.1601     21583.6716         0.0000         0.0000     41568.0397        -222222.9599       151.2131   -263790.9996   -222288.3777       151.2131          -3608.1964     -2356.1915    921491.4634     -3608.1964     -2356.1915

ENERGY:     111     22660.5938     19186.3868      5728.6091       176.9885        -335028.8262     21518.8536         0.0000         0.0000     43385.4034        -222371.9910       157.8242   -265757.3944   -222286.8996       157.8242          -2331.3779     -2338.2312    921491.4634     -2331.3779     -2338.2312

ENERGY:     112     19381.8200     19463.5170      5716.4074       185.3624        -334677.6375     21440.9489         0.0000         0.0000     45860.8185        -222628.7633       166.8291   -268489.5819   -222302.4568       166.8291           -894.2294     -2309.1964    921491.4634      -894.2294     -2309.1964

ENERGY:     113     18216.1581     20180.8084      5702.4491       194.0323        -334046.4826     21376.2231         0.0000         0.0000     45761.5816        -222615.2300       166.4681   -268376.8116   -222273.7400       166.4681            -55.6425     -2273.8625    921491.4634       -55.6425     -2273.8625

ENERGY:     114     19843.9971     21062.4095      5689.3793       202.2945        -333472.4289     21337.7637         0.0000         0.0000     42964.6871        -222371.8977       156.2937   -265336.5848   -222272.2452       156.2937           -128.5963     -2261.6571    921491.4634      -128.5963     -2261.6571

ENERGY:     115     21448.4484     21679.6563      5680.2429       209.5308        -333239.9679     21316.4507         0.0000         0.0000     40710.1056        -222195.5332       148.0922   -262905.6388   -222272.7006       148.0922           -905.3246     -2296.5621    921491.4634      -905.3246     -2296.5621

ENERGY:     116     20838.2581     21694.4197      5677.2615       215.2237        -333429.0367     21301.4963         0.0000         0.0000     41385.0931        -222317.2843       150.5476   -263702.3774   -222276.5258       150.5476          -2000.5238     -2380.1424    921491.4634     -2000.5238     -2380.1424

ENERGY:     117     19309.7301     21105.1713      5681.4214       219.0426        -333858.2253     21295.0741         0.0000         0.0000     43733.0003        -222514.7855       159.0886   -266247.7857   -222254.7025       159.0886          -3196.9892     -2479.5443    921491.4634     -3196.9892     -2479.5443

ENERGY:     118     19488.7484     20180.1712      5691.5867       220.7069        -334305.8418     21303.6950         0.0000         0.0000     44852.5145        -222568.4191       163.1611   -267420.9335   -222257.5958       163.1611          -4287.8518     -2560.8627    921491.4634     -4287.8518     -2560.8627

ENERGY:     119     21608.8170     19327.4369      5705.7183       220.1523        -334582.5767     21318.6506         0.0000         0.0000     43971.5398        -222430.2618       159.9564   -266401.8015   -222258.7220       159.9564          -4948.0952     -2603.4636    921491.4634     -4948.0952     -2603.4636

LDB: ============= START OF LOAD BALANCING ============== 63.6649
LDB: ============== END OF LOAD BALANCING =============== 63.6649
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.6654
TIMING: 120  CPU: 57.8087, 0.471965/step  Wall: 57.8087, 0.471965/step, 0.0498185 hours remaining, 3221.769531 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     120     23278.7484     18843.5008      5721.1111       217.5091        -334559.3220     21317.8986         0.0000         0.0000     42838.0029        -222342.5510       155.8329   -265180.5540   -222260.9694       155.8329          -4802.3840     -2609.8233    921491.4634     -4802.3840     -2609.8233

ENERGY:     121     22753.8287     18833.9839      5735.1155       213.1885        -334109.3886     21287.1663         0.0000         0.0000     42902.9081        -222383.1976       156.0690   -265286.1058   -222238.8456       156.0690          -3789.7330     -2573.0323    921491.4634     -3789.7330     -2573.0323

ENERGY:     122     20911.3204     19183.7909      5744.9150       207.6394        -333246.0909     21235.0875         0.0000         0.0000     43471.2678        -222492.0698       158.1365   -265963.3377   -222236.2048       158.1365          -2259.2351     -2503.9465    921491.4634     -2259.2351     -2503.9465

ENERGY:     123     19716.6565     19702.2259      5748.9495       201.5074        -332195.6663     21181.3172         0.0000         0.0000     43159.1487        -222485.8610       157.0011   -265645.0097   -222233.3016       157.0011           -827.7758     -2423.1751    921491.4634      -827.7758     -2423.1751

ENERGY:     124     19701.7329     20151.8500      5747.1965       195.4812        -331340.9820     21138.0467         0.0000         0.0000     42008.6529        -222398.0217       152.8159   -264406.6747   -222234.8509       152.8159              8.3516     -2371.2952    921491.4634         8.3516     -2371.2952

ENERGY:     125     19961.8489     20319.7041      5741.5018       190.2907        -331002.3871     21106.9630         0.0000         0.0000     41347.6159        -222334.4628       150.4113   -263682.0787   -222218.5351       150.4113             16.1240     -2370.5229    921491.4634        16.1240     -2370.5229

ENERGY:     126     19913.8780     20060.3739      5734.4100       186.3237        -331257.3384     21089.4917         0.0000         0.0000     41888.6055        -222384.2556       152.3792   -264272.8611   -222220.0404       152.3792           -757.3345     -2430.8872    921491.4634      -757.3345     -2430.8872

ENERGY:     127     20034.1246     19457.5518      5728.8730       183.8512        -331985.2678     21088.4979         0.0000         0.0000     43047.2720        -222445.0972       156.5941   -265492.3692   -222223.2517       156.5941          -2122.5053     -2533.3235    921491.4634     -2122.5053     -2533.3235

ENERGY:     128     20681.9267     18818.3078      5727.0308       182.9174        -332977.2826     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     21368.2886     18554.7977      5729.8505       183.4687        -333997.8250     21115.0500         0.0000         0.0000     44607.0893        -222439.2802       162.2683   -267046.3695   -222215.2566       162.2683          -4993.9821     -2763.9222    921491.4634     -4993.9821     -2763.9222

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

ENERGY:     130     21553.6088     18898.7762      5736.4508       185.0193        -334776.0137     21118.0422         0.0000         0.0000     44811.1496        -222472.9667       163.0106   -267284.1163   -222216.5364       163.0106          -5536.0556     -2842.3154    921491.4634     -5536.0556     -2842.3154

ENERGY:     131     21530.9957     19804.6629      5745.0872       187.0957        -335083.2644     21105.7069         0.0000         0.0000     44221.5102        -222488.2059       160.8657   -266709.7161   -222215.1805       160.8657          -5164.7864     -2872.9597    921491.4634     -5164.7864     -2872.9597

ENERGY:     132     21696.5183     20951.9798      5753.4447       189.2233        -334841.7369     21081.3851         0.0000         0.0000     42732.1267        -222437.0591       155.4477   -265169.1858   -222222.8147       155.4477          -4015.6411     -2856.5554    921491.4634     -4015.6411     -2856.5554

ENERGY:     133     21569.7009     21939.4306      5759.4053       191.1377        -334187.7139     21049.8505         0.0000         0.0000     41346.5716        -222331.6172       150.4075   -263678.1888   -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     21018.0948         0.0000         0.0000     41320.1610        -222341.1456       150.3114   -263661.3065   -222206.0448       150.3114           -846.9780     -2759.4268    921491.4634      -846.9780     -2759.4268

ENERGY:     135     18735.1492     22221.9401      5757.7067       193.2251        -332860.3440     20999.0421         0.0000         0.0000     42497.1276        -222456.1531       154.5929   -264953.2807   -222204.4871       154.5929            191.9084     -2745.1432    921491.4634       191.9084     -2745.1432

ENERGY:     136     18381.4539     21453.0792      5750.0867       193.4037        -332655.7486     21006.3294         0.0000         0.0000     43348.3540        -222523.0418       157.6894   -265871.3957   -222211.0693       157.6894            198.1851     -2776.3543    921491.4634       198.1851     -2776.3543

ENERGY:     137     19975.5715     20347.8314      5740.3098       193.2572        -332832.5917     21040.1066         0.0000         0.0000     43092.4469        -222443.0683       156.7585   -265535.5152   -222209.8937       156.7585           -927.2503     -2841.0685    921491.4634      -927.2503     -2841.0685

ENERGY:     138     21874.8524     19195.4802      5730.8549       192.8766        -333203.4342     21083.5323         0.0000         0.0000     42784.9639        -222340.8739       155.6399   -265125.8378   -222213.1815       155.6399          -2704.7055     -2927.3525    921491.4634     -2704.7055     -2927.3525

ENERGY:     139     22116.0296     18330.1124      5724.2506       192.4679        -333575.3361     21115.6332         0.0000         0.0000     43705.6789        -222391.1635       158.9892   -266096.8424   -222217.3488       158.9892          -4443.4108     -3015.1529    921491.4634     -4443.4108     -3015.1529

TIMING: 140  CPU: 67.2431, 0.471719/step  Wall: 67.2431, 0.471719/step, 0.0471719 hours remaining, 3221.914062 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     20992.5978     17997.1577      5722.1741       192.2140        -333726.9440     21127.4060         0.0000         0.0000     45144.2513        -222551.1432       164.2224   -267695.3945   -222224.0360       164.2224          -5617.7628     -3080.3638    921491.4634     -5617.7628     -3080.3638

ENERGY:     141     20605.2149     18251.9194      5725.3083       192.2642        -333525.1323     21120.3060         0.0000         0.0000     45039.8864        -222590.2330       163.8427   -267630.1195   -222215.3919       163.8427          -6017.5039     -3087.0005    921491.4634     -6017.5039     -3087.0005

ENERGY:     142     21702.7400     18860.4297      5732.9228       192.6003        -332879.0279     21093.2714         0.0000         0.0000     42868.0675        -222428.9962       155.9422   -265297.0636   -222213.3919       155.9422          -5532.0377     -3029.5547    921491.4634     -5532.0377     -3029.5547

ENERGY:     143     22457.6179     19468.7635      5743.5741       193.1827        -331957.5930     21040.0377         0.0000         0.0000     40797.9948        -222256.4223       148.4119   -263054.4171   -222209.6222       148.4119          -4179.8278     -2928.5087    921491.4634     -4179.8278     -2928.5087

ENERGY:     144     21007.3339     19787.0057      5755.2166       193.9151        -331097.8393     20965.2215         0.0000         0.0000     41087.3102        -222301.8363       149.4643   -263389.1465   -222194.0939       149.4643          -2265.2408     -2825.3504    921491.4634     -2265.2408     -2825.3504

ENERGY:     145     18390.7600     19760.7602      5765.7577       194.6436        -330692.1919     20892.9232         0.0000         0.0000     43191.0818        -222496.2654       157.1173   -265687.3472   -222180.9590       157.1173           -495.5028     -2742.5238    921491.4634      -495.5028     -2742.5238

ENERGY:     146     17494.3905     19517.0964      5773.0763       195.1974        -330883.4472     20850.7304         0.0000         0.0000     44468.0626        -222584.8935       161.7626   -267052.9561   -222180.0850       161.7626            380.5833     -2698.3695    921491.4634       380.5833     -2698.3695

ENERGY:     147     19349.0814     19284.4053      5776.1299       195.3841        -331633.2789     20843.7952         0.0000         0.0000     43729.9298        -222454.5532       159.0775   -266184.4830   -222180.7854       159.0775             12.4497     -2697.6200    921491.4634        12.4497     -2697.6200

ENERGY:     148     21731.1608     19240.1452      5775.1361       195.0156        -332748.3458     20852.0477         0.0000         0.0000     42647.1434        -222307.6970       155.1386   -264954.8404   -222173.9040       155.1386          -1313.5161     -2742.2255    921491.4634     -1313.5161     -2742.2255

ENERGY:     149     22154.0981     19476.6233      5771.6403       193.9272        -333952.9655     20853.5363         0.0000         0.0000     43165.2620        -222337.8783       157.0234   -265503.1403   -222149.8010       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     21015.8993     19956.3835      5767.3089       192.0924        -334899.3753     20845.5770         0.0000         0.0000     44606.5897        -222515.5244       162.2665   -267122.1141   -222153.2665       162.2665          -4472.9374     -2881.9210    921491.4634     -4472.9374     -2881.9210

ENERGY:     151     20656.1101     20586.9276      5763.7530       189.5631        -335303.4337     20835.7246         0.0000         0.0000     44710.6379        -222560.7175       162.6450   -267271.3553   -222155.1379       162.6450          -5407.8407     -2907.6330    921491.4634     -5407.8407     -2907.6330

ENERGY:     152     21757.0223     21203.4203      5761.8055       186.4838        -335072.1087     20820.7500         0.0000         0.0000     42914.6706        -222427.9562       156.1118   -265342.6268   -222175.0514       156.1118          -5552.0272     -2878.0876    921491.4634     -5552.0272     -2878.0876

ENERGY:     153     22396.4537     21618.6022      5761.5688       183.0547        -334307.6858     20787.1624         0.0000         0.0000     41296.2811        -222264.5630       150.2245   -263560.8441   -222152.0203       150.2245          -4765.4777     -2800.4121    921491.4634     -4765.4777     -2800.4121

ENERGY:     154     20952.1344     21640.3346      5761.9239       179.5647        -333344.9133     20735.3658         0.0000         0.0000     41746.1291        -222329.4607       151.8609   -264075.5898   -222148.7914       151.8609          -3178.1875     -2707.3606    921491.4634     -3178.1875     -2707.3606

ENERGY:     155     18734.5492     21249.5939      5761.4993       176.3183        -332564.0952     20691.4723         0.0000         0.0000     43448.4573        -222502.2050       158.0535   -265950.6623   -222145.9853       158.0535          -1408.3064     -2623.9032    921491.4634     -1408.3064     -2623.9032

ENERGY:     156     18312.4483     20599.9072      5758.8570       173.6449        -332218.9143     20684.3829         0.0000         0.0000     44137.5522        -222552.1217       160.5603   -266689.6740   -222166.8046       160.5603           -219.5095     -2571.5313    921491.4634      -219.5095     -2571.5313

ENERGY:     157     20043.0836     19943.2664      5753.0946       171.8900        -332363.0655     20715.7864         0.0000         0.0000     43325.6935        -222410.2509       157.6070   -265735.9444   -222155.5008       157.6070            -38.8542     -2554.7665    921491.4634       -38.8542     -2554.7665

ENERGY:     158     21695.0845     19425.3238      5743.5667       171.3409        -332829.8098     20761.5805         0.0000         0.0000     42713.6821        -222319.2314       155.3806   -265032.9135   -222157.3219       155.3806           -715.5934     -2586.7969    921491.4634      -715.5934     -2586.7969

ENERGY:     159     21695.6536     19084.6408      5730.9315       172.1899        -333376.4003     20800.7929         0.0000         0.0000     43483.6005        -222408.5911       158.1814   -265892.1916   -222160.0968       158.1814          -1882.1012     -2660.7875    921491.4634     -1882.1012     -2660.7875

TIMING: 160  CPU: 76.6646, 0.471074/step  Wall: 76.6646, 0.471074/step, 0.0444903 hours remaining, 3222.269531 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     160     21093.2844     18859.3045      5717.0749       174.4915        -333735.9153     20833.5471         0.0000         0.0000     44515.8596        -222542.3532       161.9365   -267058.2128   -222175.6785       161.9365          -3202.8706     -2752.7604    921491.4634     -3202.8706     -2752.7604

ENERGY:     161     21561.6002     18685.5959      5704.9782       178.2042        -333710.7596     20865.7132         0.0000         0.0000     44220.7114        -222493.9566       160.8628   -266714.6679   -222160.9737       160.8628          -4385.1103     -2823.4851    921491.4634     -4385.1103     -2823.4851

ENERGY:     162     22512.8125     18508.1493      5697.2826       183.0024        -333202.6496     20887.8856         0.0000         0.0000     43070.6068        -222342.9103       156.6790   -265413.5171   -222161.4906       156.6790          -5004.1555     -2859.8871    921491.4634     -5004.1555     -2859.8871

ENERGY:     163     21937.9852     18346.8657      5696.1509       188.4544        -332368.8223     20884.6195         0.0000         0.0000     43005.6962        -222309.0504       156.4429   -265314.7466   -222160.7800       156.4429          -4776.8221     -2868.7270    921491.4634     -4776.8221     -2868.7270

ENERGY:     164     19652.8066     18261.0401      5702.5306       194.0206        -331567.4469     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     18074.0952     18343.8151      5716.1638       199.2019        -331183.0466     20849.6742         0.0000         0.0000     45425.8563        -222574.2400       165.2468   -268000.0963   -222153.1697       165.2468          -2737.5185     -2867.1446    921491.4634     -2737.5185     -2867.1446

ENERGY:     166     18979.7068     18650.1655      5734.9735       203.3281        -331407.1002     20870.8939         0.0000         0.0000     44483.6889        -222484.3434       161.8194   -266968.0324   -222151.2326       161.8194          -1964.3635     -2870.3839    921491.4634     -1964.3635     -2870.3839

ENERGY:     167     21026.8305     19216.2868      5755.9248       205.8794        -332212.1860     20917.6388         0.0000         0.0000     42775.8063        -222313.8195       155.6066   -265089.6258   -222150.5297       155.6066          -1671.2497     -2889.5868    921491.4634     -1671.2497     -2889.5868

ENERGY:     168     21619.4180     19999.6890      5775.3367       206.4584        -333382.4927     20963.4338         0.0000         0.0000     42492.3351        -222325.8217       154.5754   -264818.1569   -222149.7708       154.5754          -1735.9904     -2933.5976    921491.4634     -1735.9904     -2933.5976

ENERGY:     169     20648.4664     20870.4069      5789.9166       204.9287        -334596.5071     20994.5723         0.0000         0.0000     43600.1910        -222488.0252       158.6055   -266088.2163   -222133.5317       158.6055          -2095.8776     -2988.7947    921491.4634     -2095.8776     -2988.7947

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

ENERGY:     170     20485.0014     21574.3800      5797.0542       201.1981        -335480.2502     21017.8094         0.0000         0.0000     43834.2688        -222570.5383       159.4570   -266404.8072   -222135.2422       159.4570          -2696.1967     -3030.4960    921491.4634     -2696.1967     -3030.4960

ENERGY:     171     22225.3641     21884.1726      5796.1347       195.5169        -335757.0015     21036.7488         0.0000         0.0000     42205.8539        -222413.2105       153.5333   -264619.0645   -222135.5893       153.5333          -3373.1626     -3035.3578    921491.4634     -3373.1626     -3035.3578

ENERGY:     172     23612.5241     21689.2904      5788.4217       188.3823        -335345.7506     21036.2039         0.0000         0.0000     40787.7257        -222243.2025       148.3745   -263030.9282   -222132.3041       148.3745          -3754.4379     -3004.4812    921491.4634     -3754.4379     -3004.4812

ENERGY:     173     22089.5492     21081.4671      5776.7002       180.5475        -334414.6775     21003.0505         0.0000         0.0000     41986.3985        -222296.9645       152.7350   -264283.3631   -222121.1460       152.7350          -3608.5986     -2944.3814    921491.4634     -3608.5986     -2944.3814

ENERGY:     174     18699.8473     20250.6917      5763.7521       172.7179        -333314.9339     20954.5022         0.0000         0.0000     44924.4952        -222548.9277       163.4230   -267473.4228   -222120.6678       163.4230          -3086.0088     -2871.4631    921491.4634     -3086.0088     -2871.4631

ENERGY:     175     17219.9375     19455.5735      5752.1494       165.6559        -332464.6993     20928.3118         0.0000         0.0000     46291.0144        -222652.0568       168.3940   -268943.0712   -222120.1885       168.3940          -2676.4055     -2794.4451    921491.4634     -2676.4055     -2794.4451

ENERGY:     176     19195.1038     18891.7629      5743.5896       160.0071        -332124.2126     20943.2095         0.0000         0.0000     44722.5120        -222468.0277       162.6882   -267190.5397   -222127.3369       162.6882          -2658.3220     -2727.5044    921491.4634     -2658.3220     -2727.5044

ENERGY:     177     21863.3194     18664.1735      5738.9484       156.2659        -332371.2410     20981.6518         0.0000         0.0000     42714.2625        -222252.6194       155.3827   -264966.8819   -222125.5135       155.3827          -2870.6845     -2681.8089    921491.4634     -2870.6845     -2681.8089

ENERGY:     178     21917.7899     18733.9558      5737.6245       154.5770        -332975.2973     21015.2132         0.0000         0.0000     43101.1545        -222314.9823       156.7902   -265416.1368   -222126.1320       156.7902          -2936.2255     -2665.7682    921491.4634     -2936.2255     -2665.7682

ENERGY:     179     20058.5719     19018.0839      5738.2698       154.9022        -333648.1816     21038.3003         0.0000         0.0000     45070.9164        -222569.1371       163.9556   -267640.0535   -222127.1792       163.9556          -2805.2707     -2668.3444    921491.4634     -2805.2707     -2668.3444

TIMING: 180  CPU: 86.0734, 0.470441/step  Wall: 86.0734, 0.470441/step, 0.041817 hours remaining, 3222.269531 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     180     19770.2942     19384.7963      5738.8341       156.9935        -334084.3523     21065.2916         0.0000         0.0000     45324.2214        -222643.9211       164.8771   -267968.1425   -222142.6344       164.8771          -2684.8629     -2671.3561    921491.4634     -2684.8629     -2671.3561

ENERGY:     181     22122.8094     19693.8083      5737.3498       160.4696        -334134.1967     21097.1422         0.0000         0.0000     42906.0430        -222416.5745       156.0804   -265322.6175   -222134.4681       156.0804          -2655.0379     -2656.7564    921491.4634     -2655.0379     -2656.7564

ENERGY:     182     23922.3457     19800.0773      5732.0748       164.8150        -333691.2983     21109.5294         0.0000         0.0000     40770.0179        -222192.4383       148.3101   -262962.4562   -222132.7633       148.3101          -2461.5987     -2635.7204    921491.4634     -2461.5987     -2635.7204

ENERGY:     183     22149.3488     19677.1535      5722.7616       169.5349        -332921.8737     21084.4911         0.0000         0.0000     41834.8233        -222283.7606       152.1836   -264118.5839   -222131.2589       152.1836          -1990.8048     -2626.5158    921491.4634     -1990.8048     -2626.5158

ENERGY:     184     18376.8757     19424.9916      5710.5469       174.1844        -332181.9082     21042.4479         0.0000         0.0000     44880.5527        -222572.3091       163.2631   -267452.8618   -222144.6142       163.2631          -1576.6177     -2645.2274    921491.4634     -1576.6177     -2645.2274

ENERGY:     185     16957.7744     19234.6874      5697.7241       178.4155        -331895.6963     21023.9443         0.0000         0.0000     46149.4988        -222653.6518       167.8792   -268803.1506   -222128.1656       167.8792          -1752.9884     -2679.2077    921491.4634     -1752.9884     -2679.2077

ENERGY:     186     19266.0405     19234.9571      5686.4352       181.9571        -332240.0938     21043.7459         0.0000         0.0000     44391.5888        -222435.3691       161.4844   -266826.9580   -222129.2888       161.4844          -2596.4732     -2731.4263    921491.4634     -2596.4732     -2731.4263

ENERGY:     187     22073.2967     19471.4303      5678.7398       184.6336        -333156.1127     21076.9264         0.0000         0.0000     42449.0057        -222222.0801       154.4178   -264671.0858   -222130.9080       154.4178          -3641.8535     -2802.0867    921491.4634     -3641.8535     -2802.0867

ENERGY:     188     22101.1829     19886.6773      5676.0120       186.3502        -334382.7610     21093.9044         0.0000         0.0000     43113.1616        -222325.4725       156.8338   -265438.6342   -222135.3907       156.8338          -4316.2654     -2887.0591    921491.4634     -4316.2654     -2887.0591

ENERGY:     189     20394.2461     20391.8601      5678.8863       187.1154        -335558.5038     21096.5840         0.0000         0.0000     45245.6388        -222564.1731       164.5912   -267809.8119   -222116.4323       164.5912          -4451.6369     -2950.0786    921491.4634     -4451.6369     -2950.0786

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

ENERGY:     190     20342.0725     20848.4447      5686.3597       187.0164        -336318.7430     21106.5487         0.0000         0.0000     45533.2635        -222615.0374       165.6375   -268148.3009   -222116.1590       165.6375          -4141.9210     -2962.8209    921491.4634     -4141.9210     -2962.8209

ENERGY:     191     22534.8505     21157.2825      5696.5257       186.2614        -336419.5248     21124.8644         0.0000         0.0000     43330.7337        -222389.0066       157.6253   -265719.7403   -222114.1140       157.6253          -3471.5977     -2915.5481    921491.4634     -3471.5977     -2915.5481

ENERGY:     192     23768.4831     21244.3747      5706.8010       185.1520        -335814.4790     21125.1403         0.0000         0.0000     41560.2537        -222224.2742       151.1848   -263784.5279   -222108.6419       151.1848          -2412.4656     -2830.7903    921491.4634     -2412.4656     -2830.7903

ENERGY:     193     21710.8595     21097.1072      5714.9848       184.0569        -334711.3257     21092.9042         0.0000         0.0000     42578.8348        -222332.5783       154.8901   -264911.4131   -222093.8903       154.8901          -1181.4696     -2735.1546    921491.4634     -1181.4696     -2735.1546

ENERGY:     194     18383.3649     20711.5281      5719.3482       183.2863        -333492.4630     21054.1040         0.0000         0.0000     44867.8136        -222573.0180       163.2168   -267440.8315   -222092.1689       163.2168           -314.8317     -2651.4482    921491.4634      -314.8317     -2651.4482

ENERGY:     195     17581.7011     20169.9815      5719.7968       183.0839        -332603.8307     21048.2209         0.0000         0.0000     45307.7485        -222593.2981       164.8171   -267901.0466   -222091.6062       164.8171           -398.0878     -2592.7756    921491.4634      -398.0878     -2592.7756

ENERGY:     196     19755.8661     19594.9319      5717.4229       183.5644        -332319.6949     21082.8579         0.0000         0.0000     43603.6156        -222381.4362       158.6180   -265985.0517   -222096.3128       158.6180          -1480.5940     -2574.8092    921491.4634     -1480.5940     -2574.8092

ENERGY:     197     21700.3669     19122.7579      5714.1451       184.7200        -332668.2729     21129.4587         0.0000         0.0000     42574.3655        -222242.4588       154.8738   -264816.8242   -222086.7180       154.8738          -3040.7436     -2596.5494    921491.4634     -3040.7436     -2596.5494

ENERGY:     198     21224.0060     18800.3005      5711.3574       186.3640        -333385.4996     21161.1533         0.0000         0.0000     43911.2864        -222391.0321       159.7372   -266302.3184   -222090.4392       159.7372          -4381.6807     -2646.7680    921491.4634     -4381.6807     -2646.7680

ENERGY:     199     20113.4047     18634.4040      5710.3429       188.2374        -334151.8586     21182.1776         0.0000         0.0000     45722.9589        -222600.3331       166.3276   -268323.2919   -222093.2751       166.3276          -5152.2284     -2691.5412    921491.4634     -5152.2284     -2691.5412

LDB: ============= START OF LOAD BALANCING ============== 101.346
LDB: Largest compute 200 load 0.426261 is 1.2% of average load 36.604322
LDB: Average compute 0.051266 is 0.1% of average load 36.604322
LDB: TIME 101.348 LOAD: AVG 36.6043 MAX 37.681  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.65 MB
LDB: TIME 101.351 LOAD: AVG 36.6043 MAX 37.5559  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.65 MB
LDB: ============== END OF LOAD BALANCING =============== 101.352
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.356
Info: Initial time: 4 CPUs 0.471159 s/step 5.45322 days/ns 3223.78 MB memory
TIMING: 200  CPU: 95.4951, 0.471084/step  Wall: 95.4951, 0.471084/step, 0.039257 hours remaining, 3223.781250 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     18595.6350      5711.8747       190.0258        -334670.2810     21209.9247         0.0000         0.0000     45319.1601        -222569.9772       164.8586   -267889.1373   -222114.5245       164.8586          -5241.8525     -2703.6813    921491.4634     -5241.8525     -2703.6813

ENERGY:     201     23380.1029     18674.3334      5716.2802       191.4189        -334751.7131     21239.1340         0.0000         0.0000     43222.4695        -222327.9742       157.2315   -265550.4437   -222100.1078       157.2315          -4546.2005     -2661.1901    921491.4634     -4546.2005     -2661.1901

ENERGY:     202     23622.8117     18850.8451      5722.5980       192.1474        -334305.3007     21243.2751         0.0000         0.0000     42432.5587        -222241.0647       154.3580   -264673.6234   -222096.8291       154.3580          -3005.0520     -2588.0014    921491.4634     -3005.0520     -2588.0014

ENERGY:     203     20743.8946     19130.0391      5729.2400       192.0764        -333501.9374     21215.8253         0.0000         0.0000     44059.6986        -222431.1634       160.2771   -266490.8620   -222093.6427       160.2771          -1046.8259     -2512.4435    921491.4634     -1046.8259     -2512.4435

ENERGY:     204     17862.6125     19486.9557      5734.1463       191.2124        -332722.2202     21188.8402         0.0000         0.0000     45629.4719        -222628.9811       165.9875   -268258.4530   -222116.7003       165.9875            452.9932     -2462.2929    921491.4634       452.9932     -2462.2929

ENERGY:     205     18189.0791     19868.9415      5735.7153       189.6741        -332398.2553     21197.9185         0.0000         0.0000     44690.7150        -222526.2118       162.5725   -267216.9268   -222099.8062       162.5725            731.8535     -2447.6353    921491.4634       731.8535     -2447.6353

ENERGY:     206     20668.8901     20170.9986      5732.9811       187.6404        -332716.3436     21241.8391         0.0000         0.0000     42439.0586        -222274.9358       154.3816   -264713.9943   -222100.3398       154.3816           -230.6568     -2488.2937    921491.4634      -230.6568     -2488.2937

ENERGY:     207     21693.8032     20338.2890      5726.5434       185.3060        -333603.9792     21289.9001         0.0000         0.0000     42143.6915        -222226.4460       153.3072   -264370.1375   -222103.0933       153.3072          -1896.3477     -2585.9682    921491.4634     -1896.3477     -2585.9682

ENERGY:     208     20293.2703     20371.8903      5718.1572       182.8654        -334789.2377     21322.2410         0.0000         0.0000     44428.6271        -222472.1865       161.6191   -266900.8136   -222122.6314       161.6191          -3669.0641     -2719.7951    921491.4634     -3669.0641     -2719.7951

ENERGY:     209     19428.8170     20325.0058      5710.3389       180.5135        -335910.2413     21349.5044         0.0000         0.0000     46273.6802        -222642.3816       168.3309   -268916.0617   -222106.7901       168.3309          -5197.7272     -2836.6305    921491.4634     -5197.7272     -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        -336615.7768     21385.1096         0.0000         0.0000     45251.4335        -222516.0282       164.6123   -267767.4617   -222108.2016       164.6123          -6091.3662     -2896.2626    921491.4634     -6091.3662     -2896.2626

ENERGY:     211     24099.1928     19985.8631      5704.9373       176.9105        -336667.8927     21415.1477         0.0000         0.0000     43031.7285        -222254.1128       156.5376   -265285.8413   -222106.8541       156.5376          -5900.2977     -2885.1009    921491.4634     -5900.2977     -2885.1009

ENERGY:     212     23739.2710     19730.8222      5710.0295       176.0352        -336013.6227     21412.5983         0.0000         0.0000     42995.1637        -222249.7027       156.4046   -265244.8664   -222104.2319       156.4046          -4424.1003     -2820.3211    921491.4634     -4424.1003     -2820.3211

ENERGY:     213     20150.2161     19524.5248      5720.1722       175.9508        -334874.6444     21380.5552         0.0000         0.0000     45418.7805        -222504.4448       165.2210   -267923.2253   -222097.3835       165.2210          -2174.3118     -2725.0841    921491.4634     -2174.3118     -2725.0841

ENERGY:     214     17315.5529     19421.7448      5733.3059       176.6827        -333645.3936     21358.4486         0.0000         0.0000     46958.4702        -222681.1886       170.8220   -269639.6588   -222093.7408       170.8220           -143.6686     -2626.0579    921491.4634      -143.6686     -2626.0579

ENERGY:     215     18210.5055     19441.9743      5746.5772       178.1492        -332787.3322     21379.5596         0.0000         0.0000     45302.6746        -222527.8917       164.7987   -267830.5663   -222091.0448       164.7987            784.0014     -2554.0368    921491.4634       784.0014     -2554.0368

ENERGY:     216     20973.4717     19522.5061      5756.9571       180.1770        -332560.1061     21436.4836         0.0000         0.0000     42442.1788        -222248.3319       154.3930   -264690.5106   -222073.6157       154.3930            420.9902     -2541.5428    921491.4634       420.9902     -2541.5428

ENERGY:     217     21778.3867     19581.4819      5762.2416       182.5517        -333010.6758     21497.2706         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     20165.9156     19540.0890      5761.2415       184.9927        -333856.1147     21546.6561         0.0000         0.0000     44178.6836        -222478.5361       160.7099   -266657.2197   -222068.8156       160.7099          -2628.0651     -2703.9746    921491.4634     -2628.0651     -2703.9746

ENERGY:     219     19429.8639     19413.3931      5754.3577       187.2447        -334778.0709     21596.8809         0.0000         0.0000     45751.9297        -222644.4008       166.4329   -268396.3305   -222073.1721       166.4329          -4457.7331     -2810.5236    921491.4634     -4457.7331     -2810.5236

TIMING: 220  CPU: 104.925, 0.471514/step  Wall: 104.925, 0.471514/step, 0.0366733 hours remaining, 3223.781250 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        -335473.8430     21655.3185         0.0000         0.0000     44539.5739        -222505.6534       162.0227   -267045.2273   -222092.6288       162.0227          -5898.3511     -2876.6576    921491.4634     -5898.3511     -2876.6576

ENERGY:     221     24234.7392     19146.8279      5730.1601       190.4777        -335718.7274     21699.4245         0.0000         0.0000     42467.0188        -222250.0792       154.4833   -264717.0980   -222077.7834       154.4833          -6342.7097     -2884.3551    921491.4634     -6342.7097     -2884.3551

ENERGY:     222     23735.1225     19085.7308      5717.7679       191.2893        -335388.9914     21700.3077         0.0000         0.0000     42702.0389        -222256.7342       155.3383   -264958.7731   -222075.6637       155.3383          -5368.7279     -2838.7016    921491.4634     -5368.7279     -2838.7016

ENERGY:     223     20286.4337     19110.8426      5708.3528       191.5578        -334633.3913     21665.5243         0.0000         0.0000     45168.7532        -222501.9268       164.3115   -267670.6801   -222072.2456       164.3115          -3322.8076     -2753.9474    921491.4634     -3322.8076     -2753.9474

ENERGY:     224     17721.9818     19276.3017      5703.4616       191.3517        -333831.1560     21637.4894         0.0000         0.0000     46650.8782        -222649.6916       169.7031   -269300.5699   -222098.2846       169.7031          -1151.0970     -2650.6854    921491.4634     -1151.0970     -2650.6854

ENERGY:     225     18451.5609     19639.7348      5703.5482       190.8346        -333424.4649     21647.4589         0.0000         0.0000     45301.5807        -222489.7468       164.7947   -267791.3275   -222079.9379       164.7947            226.2573     -2563.9720    921491.4634       226.2573     -2563.9720

ENERGY:     226     20569.7732     20147.6374      5707.2430       190.0457        -333606.5695     21686.9381         0.0000         0.0000     43034.1679        -222270.7643       156.5465   -265304.9321   -222078.6803       156.5465            530.9033     -2526.3323    921491.4634       530.9033     -2526.3323

ENERGY:     227     21011.1676     20670.4532      5712.3895       189.0769        -334317.7221     21728.2284         0.0000         0.0000     42721.7946        -222284.6119       155.4101   -265006.4064   -222080.2097       155.4101           -104.6488     -2553.6074    921491.4634      -104.6488     -2553.6074

ENERGY:     228     19866.2928     21035.8344      5716.6482       188.0080        -335312.4265     21761.2924         0.0000         0.0000     44242.5386        -222501.8120       160.9422   -266744.3506   -222102.7889       160.9422          -1440.0181     -2625.9672    921491.4634     -1440.0181     -2625.9672

ENERGY:     229     19874.0812     21137.5588      5718.5477       187.0043        -336264.4465     21796.8120         0.0000         0.0000     44976.5837        -222573.8587       163.6124   -267550.4424   -222086.0486       163.6124          -3234.4607     -2710.7214    921491.4634     -3234.4607     -2710.7214

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

ENERGY:     230     21999.2456     20926.2539      5717.1889       185.9786        -336838.6562     21834.6451         0.0000         0.0000     43751.0552        -222424.2890       159.1543   -266175.3442   -222088.6905       159.1543          -4902.3779     -2766.0556    921491.4634     -4902.3779     -2766.0556

ENERGY:     231     23806.6618     20470.3274      5713.0793       184.9073        -336794.0749     21849.7234         0.0000         0.0000     42506.4014        -222262.9743       154.6266   -264769.3757   -222089.4818       154.6266          -5730.6842     -2773.7614    921491.4634     -5730.6842     -2773.7614

ENERGY:     232     22812.6532     19886.6602      5707.7133       183.7520        -336072.1015     21820.0136         0.0000         0.0000     43315.5693        -222345.7400       157.5701   -265661.3093   -222098.2753       157.5701          -5301.5937     -2731.4985    921491.4634     -5301.5937     -2731.4985

ENERGY:     233     20035.6405     19318.2043      5703.4910       182.6157        -334889.2831     21760.7377         0.0000         0.0000     45350.0988        -222538.4951       164.9712   -267888.5939   -222089.6820       164.9712          -3899.2117     -2646.7386    921491.4634     -3899.2117     -2646.7386

ENERGY:     234     18553.6066     18856.0076      5702.3325       181.3395        -333642.4872     21712.9299         0.0000         0.0000     46049.0874        -222587.1837       167.5139   -268636.2711   -222086.3328       167.5139          -2187.7193     -2534.9736    921491.4634     -2187.7193     -2534.9736

ENERGY:     235     19419.0965     18603.4161      5705.8180       179.9133        -332789.1749     21702.6097         0.0000         0.0000     44750.4959        -222427.8255       162.7900   -267178.3214   -222083.1202       162.7900           -820.1736     -2429.4348    921491.4634      -820.1736     -2429.4348

ENERGY:     236     20566.0777     18629.1000      5714.2865       178.3391        -332585.8846     21721.5013         0.0000         0.0000     43477.4014        -222299.1786       158.1588   -265776.5800   -222073.0117       158.1588           -108.6481     -2371.7043    921491.4634      -108.6481     -2371.7043

ENERGY:     237     20196.0057     18940.2030      5726.8243       176.7459        -333068.3184     21749.0157         0.0000         0.0000     43898.3780        -222381.1458       159.6902   -266279.5238   -222063.3603       159.6902           -172.1586     -2373.2011    921491.4634      -172.1586     -2373.2011

ENERGY:     238     19419.4412     19404.0884      5740.6977       175.0128        -333964.3150     21778.9044         0.0000         0.0000     44901.2437        -222544.9268       163.3384   -267446.1706   -222065.9776       163.3384           -987.6012     -2425.5309    921491.4634      -987.6012     -2425.5309

ENERGY:     239     20428.8615     19846.5440      5752.8836       173.1946        -334966.8377     21816.7509         0.0000         0.0000     44416.4634        -222532.1396       161.5749   -266948.6030   -222068.9823       161.5749          -2385.1780     -2499.0795    921491.4634     -2385.1780     -2499.0795

TIMING: 240  CPU: 114.349, 0.471164/step  Wall: 114.349, 0.471164/step, 0.0340285 hours remaining, 3223.781250 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     20119.9135      5760.6910       171.4213        -335766.3626     21854.4254         0.0000         0.0000     42641.4776        -222357.3920       155.1180   -264998.8695   -222074.0953       155.1180          -3844.9085     -2568.3896    921491.4634     -3844.9085     -2568.3896

ENERGY:     241     23920.0053     20195.4873      5762.7124       169.9828        -336129.3253     21865.1032         0.0000         0.0000     41957.8935        -222258.1407       152.6313   -264216.0342   -222063.9159       152.6313          -4724.4492     -2616.3453    921491.4634     -4724.4492     -2616.3453

ENERGY:     242     22110.7717     20111.8209      5758.5348       169.0441        -335904.8197     21831.0568         0.0000         0.0000     43526.8720        -222396.7195       158.3388   -265923.5915   -222063.5736       158.3388          -4623.1689     -2633.0913    921491.4634     -4623.1689     -2633.0913

ENERGY:     243     19462.3621     19969.6445      5749.3614       168.8705        -335233.7070     21770.4748         0.0000         0.0000     45537.0691        -222575.9246       165.6513   -268112.9936   -222061.6674       165.6513          -3760.4506     -2614.6992    921491.4634     -3760.4506     -2614.6992

ENERGY:     244     18822.2464     19849.3934      5737.4544       169.6534        -334482.6010     21720.5677         0.0000         0.0000     45629.1664        -222554.1193       165.9864   -268183.2856   -222078.7769       165.9864          -2667.7298     -2573.2149    921491.4634     -2667.7298     -2573.2149

ENERGY:     245     20148.2369     19811.7599      5725.7785       171.4559        -334087.5946     21701.2471         0.0000         0.0000     44168.5249        -222360.5916       160.6730   -266529.1165   -222068.6364       160.6730          -1771.6901     -2533.5454    921491.4634     -1771.6901     -2533.5454

ENERGY:     246     20878.5481     19853.7025      5716.8932       174.1558        -334213.1206     21705.0851         0.0000         0.0000     43600.4183        -222284.3177       158.6063   -265884.7359   -222067.4294       158.6063          -1173.7929     -2523.3912    921491.4634     -1173.7929     -2523.3912

ENERGY:     247     19868.5287     19979.6441      5712.7400       177.5412        -334802.1842     21719.8455         0.0000         0.0000     44912.1912        -222431.6935       163.3782   -267343.8848   -222068.1392       163.3782           -983.0000     -2552.5930    921491.4634      -983.0000     -2552.5930

ENERGY:     248     19035.4925     20164.4297      5713.8450       181.3144        -335623.1353     21746.4311         0.0000         0.0000     46185.9362        -222595.6864       168.0117   -268781.6226   -222090.3126       168.0117          -1359.1246     -2608.3065    921491.4634     -1359.1246     -2608.3065

ENERGY:     249     20484.3305     20353.6195      5719.1623       185.0800        -336433.0066     21788.9034         0.0000         0.0000     45370.8152        -222531.0958       165.0466   -267901.9109   -222082.9710       165.0466          -2308.0285     -2671.2385    921491.4634     -2308.0285     -2671.2385

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

ENERGY:     250     23155.2056     20422.5258      5726.1009       188.5682        -336907.4408     21832.9289         0.0000         0.0000     43252.1658        -222329.9456       157.3395   -265582.1114   -222084.2877       157.3395          -3365.2094     -2722.3879    921491.4634     -3365.2094     -2722.3879

ENERGY:     251     24002.1397     20302.5997      5731.6573       191.5295        -336816.8446     21849.8673         0.0000         0.0000     42475.2391        -222263.8119       154.5132   -264739.0511   -222084.8988       154.5132          -3958.0338     -2753.0723    921491.4634     -3958.0338     -2753.0723

ENERGY:     252     21994.9041     20013.1599      5733.2541       193.8023        -336093.2674     21826.9295         0.0000         0.0000     43905.3720        -222425.8455       159.7157   -266331.2174   -222091.3303       159.7157          -3843.4681     -2758.0338    921491.4634     -3843.4681     -2758.0338

ENERGY:     253     19499.8637     19667.1122      5729.5496       195.2411        -334977.1804     21784.0536         0.0000         0.0000     45520.0192        -222581.3410       165.5893   -268101.3602   -222082.7204       165.5893          -3300.1273     -2735.8131    921491.4634     -3300.1273     -2735.8131

ENERGY:     254     19073.0881     19348.2296      5720.5008       195.9622        -333839.8796     21752.6524         0.0000         0.0000     45220.9195        -222528.5270       164.5013   -267749.4465   -222080.4685       164.5013          -2707.1337     -2696.1701    921491.4634     -2707.1337     -2696.1701

ENERGY:     255     20324.2311     19109.4102      5707.6062       196.0620        -333099.9231     21746.1515         0.0000         0.0000     43667.4212        -222349.0409       158.8501   -266016.4621   -222078.3974       158.8501          -2282.5425     -2662.7814    921491.4634     -2282.5425     -2662.7814

ENERGY:     256     20899.4410     18950.9578      5693.4518       195.6570        -332975.5973     21757.6848         0.0000         0.0000     43181.1612        -222297.2438       157.0812   -265478.4050   -222071.2739       157.0812          -2042.2409     -2664.5199    921491.4634     -2042.2409     -2664.5199

ENERGY:     257     20029.5653     18878.1873      5681.1759       194.7976        -333481.0040     21780.2419         0.0000         0.0000     44488.5468        -222428.4891       161.8371   -266917.0359   -222060.1684       161.8371          -2035.5363     -2692.1442    921491.4634     -2035.5363     -2692.1442

ENERGY:     258     19453.5867     18882.0666      5673.2911       193.6684        -334373.1545     21817.5077         0.0000         0.0000     45796.2578        -222556.7762       166.5942   -268353.0340   -222062.0608       166.5942          -2331.2328     -2737.1920    921491.4634     -2331.2328     -2737.1920

ENERGY:     259     20717.7708     18984.1029      5671.3007       192.3773        -335369.5277     21871.0066         0.0000         0.0000     45431.1555        -222501.8139       165.2661   -267932.9694   -222063.7307       165.2661          -2890.3670     -2780.4961    921491.4634     -2890.3670     -2780.4961

TIMING: 260  CPU: 123.761, 0.470602/step  Wall: 123.761, 0.470602/step, 0.0313735 hours remaining, 3224.089844 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     260     22744.9541     19188.2462      5675.1876       191.0393        -336169.7728     21924.7893         0.0000         0.0000     44083.4306        -222362.1256       160.3634   -266445.5562   -222069.6813       160.3634          -3407.4792     -2810.9878    921491.4634     -3407.4792     -2810.9878

ENERGY:     261     23215.5572     19485.4655      5683.6413       189.7700        -336523.9800     21953.3902         0.0000         0.0000     43676.0235        -222320.1323       158.8814   -265996.1557   -222052.8236       158.8814          -3555.3694     -2822.8648    921491.4634     -3555.3694     -2822.8648

ENERGY:     262     21606.2724     19814.6777      5694.0656       188.7122        -336291.7860     21947.6074         0.0000         0.0000     44601.6347        -222438.8160       162.2485   -267040.4507   -222052.4323       162.2485          -3214.7560     -2810.4637    921491.4634     -3214.7560     -2810.4637

ENERGY:     263     19781.1229     20140.5622      5703.8103       187.9445        -335614.9714     21924.4740         0.0000         0.0000     45349.7773        -222527.2804       164.9700   -267877.0576   -222051.1547       164.9700          -2647.8115     -2773.3903    921491.4634     -2647.8115     -2773.3903

ENERGY:     264     19385.2260     20436.4305      5710.6950       187.5052        -334855.9513     21907.7772         0.0000         0.0000     44751.4786        -222476.8388       162.7936   -267228.3174   -222069.1982       162.7936          -2191.1927     -2723.5294    921491.4634     -2191.1927     -2723.5294

ENERGY:     265     19946.8416     20681.9926      5713.6241       187.4392        -334395.6634     21906.0163         0.0000         0.0000     43607.6376        -222352.1120       158.6326   -265959.7495   -222054.3371       158.6326          -2038.0573     -2683.6035    921491.4634     -2038.0573     -2683.6035

ENERGY:     266     20048.7899     20788.8701      5712.1327       187.6137        -334399.4579     21914.4805         0.0000         0.0000     43399.3798        -222348.1911       157.8750   -265747.5709   -222054.3634       157.8750          -2130.7241     -2664.5956    921491.4634     -2130.7241     -2664.5956

ENERGY:     267     19648.0906     20691.2680      5707.0583       187.8501        -334831.4857     21930.8374         0.0000         0.0000     44220.2169        -222446.1645       160.8610   -266666.3814   -222055.6584       160.8610          -2435.4235     -2662.6783    921491.4634     -2435.4235     -2662.6783

ENERGY:     268     19962.9160     20375.7517      5700.1930       187.9286        -335513.7451     21959.1257         0.0000         0.0000     44823.5377        -222504.2924       163.0557   -267327.8301   -222075.9874       163.0557          -2903.2125     -2658.6181    921491.4634     -2903.2125     -2658.6181

ENERGY:     269     21396.7812     19927.1703      5694.0390       187.7639        -336221.0663     21997.2161         0.0000         0.0000     44586.5100        -222431.5858       162.1935   -267018.0957   -222066.1973       162.1935          -3401.4128     -2647.2950    921491.4634     -3401.4128     -2647.2950

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

ENERGY:     270     22620.1932     19450.9168      5690.3173       187.1618        -336650.6776     22028.8071         0.0000         0.0000     44308.0076        -222365.2737       161.1804   -266673.2813   -222067.0434       161.1804          -3583.3633     -2617.7583    921491.4634     -3583.3633     -2617.7583

ENERGY:     271     22345.5823     19078.8065      5690.0209       186.1610        -336571.7893     22035.2501         0.0000         0.0000     44829.4473        -222406.5211       163.0772   -267235.9684   -222066.8385       163.0772          -3261.2174     -2569.2622    921491.4634     -3261.2174     -2569.2622

ENERGY:     272     21021.5584     18896.0661      5692.8269       184.9335        -335921.4617     22015.0580         0.0000         0.0000     45607.7077        -222503.3111       165.9083   -268111.0187   -222081.1572       165.9083          -2551.9684     -2501.8805    921491.4634     -2551.9684     -2501.8805

ENERGY:     273     20123.2137     18932.9080      5697.5118       183.8526        -334925.7015     21985.5296         0.0000         0.0000     45502.7162        -222499.9696       165.5264   -268002.6858   -222069.0460       165.5264          -1837.1976     -2434.6760    921491.4634     -1837.1976     -2434.6760

ENERGY:     274     20074.7417     19121.4862      5701.6806       183.0070        -333931.6260     21965.2977         0.0000         0.0000     44478.5176        -222406.8952       161.8006   -266885.4128   -222066.8029       161.8006          -1366.5214     -2384.6634    921491.4634     -1366.5214     -2384.6634

ENERGY:     275     20005.4318     19374.0680      5703.3424       182.5376        -333318.5606     21960.8300         0.0000         0.0000     43741.9683        -222350.3825       159.1213   -266092.3508   -222065.7693       159.1213          -1269.7932     -2374.8869    921491.4634     -1269.7932     -2374.8869

ENERGY:     276     19401.8502     19594.7508      5701.2547       182.4904        -333292.1280     21971.0410         0.0000         0.0000     44028.5271        -222412.2138       160.1637   -266440.7409   -222072.9393       160.1637          -1580.1300     -2417.6040    921491.4634     -1580.1300     -2417.6040

ENERGY:     277     19149.2972     19724.7160      5695.5210       182.9396        -333864.3451     21997.2387         0.0000         0.0000     44632.8111        -222481.8216       162.3619   -267114.6326   -222061.0986       162.3619          -2311.7544     -2498.0544    921491.4634     -2311.7544     -2498.0544

ENERGY:     278     20199.4576     19713.7760      5686.9122       183.6585        -334821.1000     22041.3359         0.0000         0.0000     44532.2540        -222463.7059       161.9961   -266995.9599   -222063.4129       161.9961          -3254.8155     -2593.7696    921491.4634     -3254.8155     -2593.7696

ENERGY:     279     21984.3648     19593.9431      5677.5176       184.5187        -335888.5798     22096.4199         0.0000         0.0000     43975.0880        -222376.7277       159.9693   -266351.8157   -222065.2022       159.9693          -4044.3211     -2682.8389    921491.4634     -4044.3211     -2682.8389

TIMING: 280  CPU: 133.157, 0.469814/step  Wall: 133.157, 0.469814/step, 0.0287108 hours remaining, 3224.089844 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     280     22859.3229     19458.4366      5670.0026       185.3899        -336752.6631     22145.1355         0.0000         0.0000     44066.7339        -222367.6417       160.3027   -266434.3756   -222073.4246       160.3027          -4286.3892     -2748.0546    921491.4634     -4286.3892     -2748.0546

ENERGY:     281     22172.5958     19445.1183      5667.0588       186.2206        -337154.6802     22172.1192         0.0000         0.0000     45063.2423        -222448.3251       163.9277   -267511.5675   -222064.8517       163.9277          -3881.2950     -2782.5902    921491.4634     -3881.2950     -2782.5902

ENERGY:     282     20943.7899     19615.5379      5669.9796       186.8360        -336942.5035     22176.7655         0.0000         0.0000     45823.3370        -222526.2576       166.6927   -268349.5946   -222063.3314       166.6927          -2992.3271     -2779.3668    921491.4634     -2992.3271     -2779.3668

ENERGY:     283     20432.1062     19966.6615      5678.8137       187.1634        -336251.9203     22171.0649         0.0000         0.0000     45328.8521        -222487.2585       164.8939   -267816.1106   -222060.8458       164.8939          -2008.7737     -2748.2306    921491.4634     -2008.7737     -2748.2306

ENERGY:     284     20506.4000     20401.8823      5692.0830       187.1346        -335412.6303     22166.2910         0.0000         0.0000     44071.4480        -222387.3913       160.3198   -266458.8394   -222061.5539       160.3198          -1267.2792     -2712.3901    921491.4634     -1267.2792     -2712.3901

ENERGY:     285     20203.3288     20789.9630      5707.3565       186.7145        -334827.1968     22167.0166         0.0000         0.0000     43418.2630        -222354.5544       157.9437   -265772.8175   -222053.5966       157.9437          -1010.8438     -2700.0820    921491.4634     -1010.8438     -2700.0820

ENERGY:     286     19396.6309     20966.5624      5721.5031       185.8230        -334658.1150     22176.6863         0.0000         0.0000     43785.6882        -222425.2211       159.2803   -266210.9093   -222054.0581       159.2803          -1306.7502     -2717.2847    921491.4634     -1306.7502     -2717.2847

ENERGY:     287     19176.1190     20856.7824      5731.9346       184.4714        -334918.1481     22200.2911         0.0000         0.0000     44282.9437        -222485.6058       161.0892   -266768.5496   -222055.7252       161.0892          -2148.9612     -2753.3344    921491.4634     -2148.9612     -2753.3344

ENERGY:     288     20263.2087     20475.2852      5736.9557       182.7335        -335468.3148     22237.9038         0.0000         0.0000     44116.9904        -222455.2375       160.4855   -266572.2279   -222066.9053       160.4855          -3310.5877     -2790.1553    921491.4634     -3310.5877     -2790.1553

ENERGY:     289     21886.4833     19928.6979      5736.1905       180.7560        -336126.9122     22279.0690         0.0000         0.0000     43733.4513        -222382.2641       159.0903   -266115.7154   -222062.2724       159.0903          -4368.9813     -2809.8749    921491.4634     -4368.9813     -2809.8749

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

ENERGY:     290     22615.9843     19325.5266      5730.3279       178.6973        -336571.4574     22308.2175         0.0000         0.0000     44027.4234        -222385.2802       160.1597   -266412.7037   -222063.4683       160.1597          -4815.3285     -2796.0390    921491.4634     -4815.3285     -2796.0390

ENERGY:     291     22115.7702     18802.2909      5721.4122       176.7646        -336554.3558     22315.5631         0.0000         0.0000     44963.0865        -222459.4682       163.5634   -267422.5548   -222063.1774       163.5634          -4450.6673     -2738.1108    921491.4634     -4450.6673     -2738.1108

ENERGY:     292     21262.5910     18472.4016      5712.2431       175.1751        -335987.2703     22302.8785         0.0000         0.0000     45560.3454        -222501.6357       165.7360   -268061.9810   -222072.5163       165.7360          -3435.4157     -2639.3512    921491.4634     -3435.4157     -2639.3512

ENERGY:     293     20783.4662     18411.7342      5705.7252       174.1484        -335092.9710     22279.1183         0.0000         0.0000     45283.4160        -222455.3627       164.7286   -267738.7787   -222061.5457       164.7286          -2166.7338     -2517.2544    921491.4634     -2166.7338     -2517.2544

ENERGY:     294     20398.6130     18589.6436      5703.5791       173.8101        -334179.1791     22254.0801         0.0000         0.0000     44662.2337        -222397.2195       162.4689   -267059.4532   -222058.8853       162.4689          -1006.6044     -2405.5593    921491.4634     -1006.6044     -2405.5593

ENERGY:     295     19706.6743     18924.3582      5706.2255       174.2141        -333602.5020     22236.6570         0.0000         0.0000     44449.5912        -222404.7816       161.6954   -266854.3728   -222057.5863       161.6954           -311.5567     -2335.1539    921491.4634      -311.5567     -2335.1539

ENERGY:     296     19122.8992     19301.4532      5712.5929       175.3096        -333576.4726     22236.1191         0.0000         0.0000     44573.6029        -222454.4958       162.1465   -267028.0987   -222067.3937       162.1465           -347.2083     -2322.9739    921491.4634      -347.2083     -2322.9739

ENERGY:     297     19439.7488     19641.8017      5720.7182       176.9777        -334148.9753     22258.2526         0.0000         0.0000     44466.2678        -222445.2085       161.7561   -266911.4763   -222050.8186       161.7561          -1189.5386     -2359.0875    921491.4634     -1189.5386     -2359.0875

ENERGY:     298     20578.5045     19886.6664      5727.8935       178.9488        -335137.5238     22299.1412         0.0000         0.0000     44067.5344        -222398.8350       160.3056   -266466.3694   -222053.6274       160.3056          -2519.0811     -2427.9309    921491.4634     -2519.0811     -2427.9309

ENERGY:     299     21598.9654     20050.9661      5731.9440       180.9390        -336266.8203     22346.0659         0.0000         0.0000     43977.6322        -222380.3077       159.9785   -266357.9399   -222056.3727       159.9785          -3820.1262     -2506.2687    921491.4634     -3820.1262     -2506.2687

LDB: ============= START OF LOAD BALANCING ============== 148.426
LDB: Largest compute 200 load 0.523609 is 1.1% of average load 45.712712
LDB: Average compute 0.064033 is 0.1% of average load 45.712712
LDB: TIME 148.428 LOAD: AVG 45.7127 MAX 47.0709  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.29 MB
LDB: TIME 148.429 LOAD: AVG 45.7127 MAX 47.0709  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.29 MB
LDB: TIME 148.434 LOAD: AVG 45.7127 MAX 46.0613  PROXIES: TOTAL 115 MAXPE 31 MAXPATCH 2 RefineTorusLB MEM: 3224.29 MB
LDB: ============== END OF LOAD BALANCING =============== 148.435
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.436
Info: Initial time: 4 CPUs 0.470335 s/step 5.44369 days/ns 3224.29 MB memory
TIMING: 300  CPU: 142.538, 0.469064/step  Wall: 142.538, 0.469064/step, 0.0260591 hours remaining, 3224.289062 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     300     21869.9881     20174.1890      5731.6695       182.6816        -337209.9032     22385.4782         0.0000         0.0000     44423.7997        -222442.0973       161.6016   -266865.8970   -222076.5869       161.6016          -4600.9407     -2563.6018    921491.4634     -4600.9407     -2563.6018

ENERGY:     301     21754.7698     20299.7853      5727.3852       184.0330        -337665.1003     22409.6628         0.0000         0.0000     44817.7467        -222471.7174       163.0346   -267289.4641   -222059.2468       163.0346          -4657.8463     -2584.2292    921491.4634     -4657.8463     -2584.2292

ENERGY:     302     21723.0648     20395.7909      5720.2599       184.8676        -337483.0156     22416.9294         0.0000         0.0000     44599.2670        -222442.8360       162.2399   -267042.1031   -222057.3399       162.2399          -3958.8649     -2554.2736    921491.4634     -3958.8649     -2554.2736

ENERGY:     303     21512.5329     20430.0802      5712.5286       185.2198        -336784.9555     22409.2051         0.0000         0.0000     44154.6910        -222380.6979       160.6226   -266535.3889   -222054.2088       160.6226          -2717.2719     -2487.9821    921491.4634     -2717.2719     -2487.9821

ENERGY:     304     20579.5058     20379.6045      5706.6112       185.2163        -335895.7348     22392.3089         0.0000         0.0000     44259.5532        -222392.9349       161.0041   -266652.4881   -222063.7236       161.0041          -1310.8211     -2411.5371    921491.4634     -1310.8211     -2411.5371

ENERGY:     305     19294.2490     20267.1926      5704.5649       185.0761        -335184.3680     22377.9878         0.0000         0.0000     44903.5551        -222451.7425       163.3468   -267355.2976   -222049.0629       163.3468           -285.4666     -2359.8439    921491.4634      -285.4666     -2359.8439

ENERGY:     306     18813.6234     20091.4462      5706.8791       184.8700        -334861.4716     22380.1172         0.0000         0.0000     45195.6070        -222488.9287       164.4092   -267684.5357   -222048.9453       164.4092            -34.4474     -2342.9900    921491.4634       -34.4474     -2342.9900

ENERGY:     307     19699.8290     19880.2870      5712.8835       184.6555        -334994.2781     22404.6081         0.0000         0.0000     44676.1363        -222435.8788       162.5195   -267112.0151   -222050.4563       162.5195           -686.7123     -2362.0196    921491.4634      -686.7123     -2362.0196

ENERGY:     308     21066.5787     19666.1168      5720.7563       184.4262        -335495.7180     22443.3092         0.0000         0.0000     44039.4394        -222375.0913       160.2034   -266414.5307   -222060.2284       160.2034          -1960.6040     -2406.6006    921491.4634     -1960.6040     -2406.6006

ENERGY:     309     21696.0233     19507.1878      5728.2464       184.2113        -336171.4699     22480.8023         0.0000         0.0000     44190.3408        -222384.6580       160.7523   -266574.9988   -222050.0298       160.7523          -3383.0054     -2467.8899    921491.4634     -3383.0054     -2467.8899

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

ENERGY:     310     21508.7274     19421.0238      5732.7586       183.9063        -336693.8612     22505.8458         0.0000         0.0000     44871.0066        -222470.5927       163.2284   -267341.5992   -222052.4941       163.2284          -4424.6313     -2515.2222    921491.4634     -4424.6313     -2515.2222

ENERGY:     311     21459.6723     19421.2607      5732.5580       183.4896        -336798.7868     22515.0562         0.0000         0.0000     44986.9606        -222499.7895       163.6502   -267486.7501   -222053.3071       163.6502          -4795.7695     -2523.0992    921491.4634     -4795.7695     -2523.0992

ENERGY:     312     21894.2738     19475.0868      5727.0397       182.9545        -336390.8680     22507.7151         0.0000         0.0000     44171.5547        -222432.2433       160.6840   -266603.7980   -222064.5095       160.6840          -4390.5736     -2479.7746    921491.4634     -4390.5736     -2479.7746

ENERGY:     313     21935.6985     19529.7471      5717.1322       182.3602        -335633.4779     22483.0132         0.0000         0.0000     43439.9886        -222345.5380       158.0227   -265785.5267   -222050.9857       158.0227          -3324.4415     -2406.1159    921491.4634     -3324.4415     -2406.1159

ENERGY:     314     20774.0374     19507.1856      5704.6248       181.6523        -334801.1009     22445.5167         0.0000         0.0000     43813.5134        -222374.5708       159.3815   -266188.0842   -222048.2694       159.3815          -1862.2384     -2326.9766    921491.4634     -1862.2384     -2326.9766

ENERGY:     315     19161.1204     19408.2595      5692.2116       180.8666        -334233.4706     22410.8360         0.0000         0.0000     44907.4425        -222472.7339       163.3609   -267380.1764   -222046.1400       163.3609           -549.3942     -2270.2359    921491.4634      -549.3942     -2270.2359

ENERGY:     316     18669.4292     19303.6207      5682.5271       180.0732        -334172.3645     22398.3991         0.0000         0.0000     45428.4345        -222509.8807       165.2562   -267938.3152   -222062.0711       165.2562             64.5862     -2251.8058    921491.4634        64.5862     -2251.8058

ENERGY:     317     19739.5965     19309.4452      5677.5265       179.4130        -334705.9337     22416.0671         0.0000         0.0000     44959.2151        -222424.6703       163.5493   -267383.8854   -222046.6270       163.5493           -296.1487     -2282.4173    921491.4634      -296.1487     -2282.4173

ENERGY:     318     21109.3873     19471.3043      5677.4840       178.9393        -335675.6975     22454.1811         0.0000         0.0000     44425.4196        -222358.9818       161.6075   -266784.4014   -222048.7806       161.6075          -1378.4197     -2356.1401    921491.4634     -1378.4197     -2356.1401

ENERGY:     319     21567.4382     19787.0343      5681.4413       178.7485        -336801.6066     22496.5476         0.0000         0.0000     44691.1804        -222399.2163       162.5742   -267090.3967   -222051.9251       162.5742          -2725.8795     -2457.2024    921491.4634     -2725.8795     -2457.2024

TIMING: 320  CPU: 151.712, 0.45867/step  Wall: 151.712, 0.45867/step, 0.0229335 hours remaining, 3224.289062 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     21393.3834     20196.2691      5687.3971       178.9168        -337738.1159     22532.5477         0.0000         0.0000     45250.4873        -222499.1145       164.6088   -267749.6018   -222076.2072       164.6088          -3895.6020     -2553.5001    921491.4634     -3895.6020     -2553.5001

ENERGY:     321     21615.1672     20628.0218      5693.0806       179.5146        -338181.7103     22557.3348         0.0000         0.0000     45018.7802        -222489.8111       163.7659   -267508.5913   -222064.2788       163.7659          -4609.2358     -2621.5362    921491.4634     -4609.2358     -2621.5362

ENERGY:     322     22179.0069     20957.0457      5696.1855       180.4970        -337965.9631     22565.0705         0.0000         0.0000     43989.5236        -222398.6338       160.0218   -266388.1574   -222063.6577       160.0218          -4596.8830     -2640.5012    921491.4634     -4596.8830     -2640.5012

ENERGY:     323     21976.7007     21085.8081      5695.4506       181.8003        -337194.0747     22550.8105         0.0000         0.0000     43361.4900        -222342.0147       157.7372   -265703.5046   -222061.4466       157.7372          -3808.3607     -2616.6943    921491.4634     -3808.3607     -2616.6943

ENERGY:     324     20558.5070     20952.0214      5690.8582       183.3007        -336170.3976     22520.5743         0.0000         0.0000     43857.2497        -222407.8863       159.5406   -266265.1360   -222068.7482       159.5406          -2506.6901     -2573.6930    921491.4634     -2506.6901     -2573.6930

ENERGY:     325     19096.1753     20584.7379      5683.7433       184.8441        -335297.0514     22494.0546         0.0000         0.0000     44763.3951        -222490.1011       162.8369   -267253.4962   -222060.9513       162.8369          -1264.0245     -2529.6545    921491.4634     -1264.0245     -2529.6545

ENERGY:     326     18959.6361     20052.8005      5675.9627       186.2078        -334820.0104     22490.4171         0.0000         0.0000     44971.8220        -222483.1642       163.5951   -267454.9863   -222059.6109       163.5951           -572.2141     -2503.0557    921491.4634      -572.2141     -2503.0557

ENERGY:     327     20020.7819     19506.2795      5669.7116       187.2139        -334851.2529     22513.0147         0.0000         0.0000     44550.7423        -222403.5090       162.0634   -266954.2512   -222059.8761       162.0634           -657.4989     -2506.5013    921491.4634      -657.4989     -2506.5013

ENERGY:     328     20934.1977     19092.0093      5666.7484       187.7399        -335303.4711     22549.7455         0.0000         0.0000     44493.2354        -222379.7950       161.8542   -266873.0304   -222061.7261       161.8542          -1393.2035     -2547.3518    921491.4634     -1393.2035     -2547.3518

ENERGY:     329     21066.6662     18910.0878      5668.0553       187.7546        -335996.4127     22586.9568         0.0000         0.0000     45124.3164        -222452.5757       164.1499   -267576.8921   -222059.3368       164.1499          -2499.2288     -2610.9951    921491.4634     -2499.2288     -2610.9951

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

ENERGY:     330     21142.6832     18933.5043      5673.1988       187.2569        -336566.3119     22617.7581         0.0000         0.0000     45495.0145        -222516.8959       165.4984   -268011.9105   -222062.1152       165.4984          -3602.9588     -2673.3212    921491.4634     -3602.9588     -2673.3212

ENERGY:     331     21864.6855     19091.0592      5680.9136       186.3262        -336735.1754     22637.2717         0.0000         0.0000     44806.2163        -222468.7031       162.9927   -267274.9193   -222063.3974       162.9927          -4373.7647     -2707.8810    921491.4634     -4373.7647     -2707.8810

ENERGY:     332     22513.8607     19292.8541      5689.3391       185.0892        -336383.5024     22636.4046         0.0000         0.0000     43697.6285        -222368.3262       158.9600   -266065.9546   -222061.8461       158.9600          -4514.5072     -2704.7030    921491.4634     -4514.5072     -2704.7030

ENERGY:     333     21854.9977     19482.7897      5696.6505       183.7309        -335681.4585     22608.9732         0.0000         0.0000     43501.2417        -222353.0749       158.2456   -265854.3166   -222052.0753       158.2456          -3943.3088     -2666.2161    921491.4634     -3943.3088     -2666.2161

ENERGY:     334     20023.4851     19603.2614      5701.0454       182.3864        -334880.5304     22564.8644         0.0000         0.0000     44357.3051        -222448.1826       161.3597   -266805.4877   -222049.6961       161.3597          -2855.3040     -2607.1876    921491.4634     -2855.3040     -2607.1876

ENERGY:     335     18726.9584     19647.0448      5701.6424       181.1975        -334325.9457     22528.7347         0.0000         0.0000     45026.6264        -222513.7415       163.7945   -267540.3679   -222047.5432       163.7945          -1753.1269     -2542.6964    921491.4634     -1753.1269     -2542.6964

ENERGY:     336     19127.9133     19639.0994      5698.6022       180.2744        -334271.7857     22519.7000         0.0000         0.0000     44649.6648        -222456.5316       162.4232   -267106.1964   -222055.6202       162.4232          -1093.5004     -2488.8702    921491.4634     -1093.5004     -2488.8702

ENERGY:     337     20420.1632     19649.7062      5693.3319       179.7347        -334824.3559     22536.4225         0.0000         0.0000     43995.5997        -222349.3977       160.0439   -266344.9974   -222040.1026       160.0439          -1064.7181     -2460.5859    921491.4634     -1064.7181     -2460.5859

ENERGY:     338     21007.5744     19722.4643      5687.5590       179.5437        -335808.8621     22564.1946         0.0000         0.0000     44285.9171        -222361.6089       161.1000   -266647.5260   -222041.5959       161.1000          -1500.9496     -2462.8575    921491.4634     -1500.9496     -2462.8575

ENERGY:     339     20742.6008     19892.4865      5683.2969       179.6501        -336924.5161     22593.0220         0.0000         0.0000     45359.3478        -222474.1120       165.0048   -267833.4598   -222043.8631       165.0048          -2199.9373     -2485.1214    921491.4634     -2199.9373     -2485.1214

TIMING: 340  CPU: 160.875, 0.458143/step  Wall: 160.875, 0.458143/step, 0.0203619 hours remaining, 3224.289062 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     340     20898.6066     20139.5373      5681.9995       179.9655        -337821.3682     22621.7138         0.0000         0.0000     45758.5729        -222540.9726       166.4571   -268299.5455   -222070.3954       166.4571          -2966.9707     -2503.9484    921491.4634     -2966.9707     -2503.9484

ENERGY:     341     22051.8626     20407.8963      5684.3134       180.4786        -338209.1668     22646.3200         0.0000         0.0000     44797.5820        -222440.7138       162.9613   -267238.2958   -222054.5348       162.9613          -3585.3813     -2498.5441    921491.4634     -3585.3813     -2498.5441

ENERGY:     342     22895.9215     20582.1012      5689.2420       181.0293        -337942.4478     22653.2573         0.0000         0.0000     43612.4989        -222328.3976       158.6503   -265940.8965   -222054.3603       158.6503          -3711.7547     -2460.9854    921491.4634     -3711.7547     -2460.9854

ENERGY:     343     21993.5597     20596.8907      5695.1198       181.5548        -337132.3423     22633.1275         0.0000         0.0000     43686.5574        -222345.5323       158.9197   -266032.0897   -222053.2449       158.9197          -3217.8264     -2399.3475    921491.4634     -3217.8264     -2399.3475

ENERGY:     344     19898.5081     20447.2069      5699.9573       182.0106        -336095.2684     22596.5930         0.0000         0.0000     44790.9364        -222480.0562       162.9371   -267270.9926   -222071.3581       162.9371          -2338.1161     -2329.7492    921491.4634     -2338.1161     -2329.7492

ENERGY:     345     18694.7358     20199.0883      5702.3270       182.4513        -335224.1282     22568.7538         0.0000         0.0000     45351.4660        -222525.3058       164.9762   -267876.7719   -222058.0558       164.9762          -1576.2391     -2261.7960    921491.4634     -1576.2391     -2261.7960

ENERGY:     346     19350.9889     19892.9544      5701.0894       182.7368        -334783.0728     22565.1339         0.0000         0.0000     44652.5019        -222437.6676       162.4335   -267090.1695   -222056.8259       162.4335          -1239.3022     -2211.7781    921491.4634     -1239.3022     -2211.7781

ENERGY:     347     20669.8294     19583.9411      5696.3949       182.8447        -334881.4391     22581.1984         0.0000         0.0000     43831.1328        -222336.0978       159.4456   -266167.2306   -222056.9476       159.4456          -1358.8145     -2194.9212    921491.4634     -1358.8145     -2194.9212

ENERGY:     348     21062.2470     19315.9904      5689.3479       182.7918        -335425.6671     22604.2203         0.0000         0.0000     44195.9876        -222375.0822       160.7729   -266571.0698   -222064.0950       160.7729          -1766.2764     -2218.9157    921491.4634     -1766.2764     -2218.9157

ENERGY:     349     20718.9513     19143.3231      5681.9008       182.6959        -336197.3786     22630.4376         0.0000         0.0000     45349.6296        -222490.4403       164.9695   -267840.0698   -222056.3111       164.9695          -2336.6405     -2270.6249    921491.4634     -2336.6405     -2270.6249

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

ENERGY:     350     21009.3450     19066.8675      5675.7227       182.5405        -336836.8359     22661.9756         0.0000         0.0000     45710.0737        -222530.3108       166.2807   -268240.3846   -222058.0879       166.2807          -2896.5508     -2326.8867    921491.4634     -2896.5508     -2326.8867

ENERGY:     351     22235.3180     19085.8714      5672.3994       182.3762        -337072.3452     22693.2959         0.0000         0.0000     44770.4137        -222432.6706       162.8625   -267203.0844   -222058.6358       162.8625          -3254.0186     -2369.0507    921491.4634     -3254.0186     -2369.0507

ENERGY:     352     22912.9250     19180.1282      5672.7329       182.2243        -336794.7861     22708.6921         0.0000         0.0000     43795.3992        -222342.6843       159.3156   -266138.0835   -222059.3899       159.3156          -3190.0137     -2394.0289    921491.4634     -3190.0137     -2394.0289

ENERGY:     353     21825.9776     19344.0937      5676.6445       182.1014        -336147.6553     22699.4234         0.0000         0.0000     44043.1856        -222376.2292       160.2170   -266419.4148   -222047.6763       160.2170          -2709.1542     -2407.4663    921491.4634     -2709.1542     -2407.4663

ENERGY:     354     19814.0381     19544.5091      5682.7360       181.9868        -335375.1826     22676.8668         0.0000         0.0000     44983.0757        -222491.9700       163.6361   -267475.0457   -222046.2243       163.6361          -2040.9899     -2415.4741    921491.4634     -2040.9899     -2415.4741

ENERGY:     355     18879.8417     19773.7508      5689.2466       181.9196        -334823.9958     22664.4422         0.0000         0.0000     45120.2678        -222514.5271       164.1351   -267634.7949   -222044.8383       164.1351          -1600.3169     -2424.6827    921491.4634     -1600.3169     -2424.6827

ENERGY:     356     19622.4370     20015.8109      5694.4280       181.9402        -334758.7693     22674.4080         0.0000         0.0000     44153.0884        -222416.6567       160.6168   -266569.7451   -222053.0963       160.6168          -1622.0262     -2446.8266    921491.4634     -1622.0262     -2446.8266

ENERGY:     357     20687.2711     20255.1056      5697.1708       182.0215        -335288.0646     22700.2950         0.0000         0.0000     43438.0175        -222328.1832       158.0156   -265766.2007   -222042.2331       158.0156          -2061.3606     -2486.6662    921491.4634     -2061.3606     -2486.6662

ENERGY:     358     20785.4065     20424.8430      5696.9833       182.1295        -336225.9478     22730.2420         0.0000         0.0000     44019.5820        -222386.7617       160.1311   -266406.3437   -222043.9946       160.1311          -2636.8579     -2541.3593    921491.4634     -2636.8579     -2541.3593

ENERGY:     359     20493.6439     20484.4985      5694.4424       182.1894        -337270.5928     22762.0669         0.0000         0.0000     45152.8976        -222500.8541       164.2538   -267653.7517   -222046.1003       164.2538          -3161.2176     -2593.4281    921491.4634     -3161.2176     -2593.4281

TIMING: 360  CPU: 170.035, 0.458012/step  Wall: 170.035, 0.458012/step, 0.0178116 hours remaining, 3224.289062 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     360     21112.5810     20418.0334      5690.9152       182.1442        -338077.5507     22797.1678         0.0000         0.0000     45362.4566        -222514.2525       165.0161   -267876.7091   -222065.3877       165.0161          -3505.9503     -2622.8572    921491.4634     -3505.9503     -2622.8572

ENERGY:     361     22462.8274     20259.6927      5688.3191       181.9496        -338397.1525     22827.2222         0.0000         0.0000     44580.8518        -222396.2898       162.1729   -266977.1415   -222052.4541       162.1729          -3542.5442     -2618.5019    921491.4634     -3542.5442     -2618.5019

ENERGY:     362     22808.6003     20031.2791      5688.3204       181.6678        -338079.7612     22835.7527         0.0000         0.0000     44200.9548        -222333.1862       160.7909   -266534.1410   -222051.2757       160.7909          -3087.0697     -2583.1905    921491.4634     -3087.0697     -2583.1905

ENERGY:     363     21303.6022     19794.1189      5692.1162       181.3427        -337235.0090     22818.0653         0.0000         0.0000     45033.6623        -222412.1015       163.8201   -267445.7638   -222049.5300       163.8201          -2242.6819     -2529.7064    921491.4634     -2242.6819     -2529.7064

ENERGY:     364     19323.8976     19612.6015      5699.8913       181.0103        -336175.2001     22790.5194         0.0000         0.0000     46034.3485        -222532.9315       167.4603   -268567.2800   -222068.5920       167.4603          -1420.0426     -2476.3757    921491.4634     -1420.0426     -2476.3757

ENERGY:     365     18830.5839     19548.3421      5710.7558       180.6856        -335316.0970     22775.7831         0.0000         0.0000     45760.0885        -222509.8579       166.4626   -268269.9464   -222057.4404       166.4626          -1100.2607     -2433.4823    921491.4634     -1100.2607     -2433.4823

ENERGY:     366     19854.2637     19578.5649      5722.5903       180.3919        -334923.1929     22780.3503         0.0000         0.0000     44422.2468        -222384.7851       161.5959   -266807.0319   -222057.2779       161.5959          -1392.6925     -2417.6863    921491.4634     -1392.6925     -2417.6863

ENERGY:     367     20741.0595     19662.8835      5732.9484       180.1165        -335098.3157     22794.3495         0.0000         0.0000     43662.6181        -222324.3402       158.8326   -265986.9583   -222058.3715       158.8326          -2104.1272     -2437.9268    921491.4634     -2104.1272     -2437.9268

ENERGY:     368     20561.5936     19748.2121      5739.6691       179.8275        -335728.0871     22808.6653         0.0000         0.0000     44272.8403        -222417.2792       161.0524   -266690.1195   -222068.2911       161.0524          -2928.4884     -2487.3069    921491.4634     -2928.4884     -2487.3069

ENERGY:     369     20346.9677     19812.6207      5741.6370       179.5048        -336580.3305     22825.3360         0.0000         0.0000     45155.6306        -222518.6339       164.2638   -267674.2645   -222061.1000       164.2638          -3666.9889     -2542.4573    921491.4634     -3666.9889     -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     19815.7284      5738.6028       179.1429        -337296.0553     22846.3050         0.0000         0.0000     44920.4942        -222493.4115       163.4084   -267413.9056   -222062.2624       163.4084          -4081.4434     -2576.8189    921491.4634     -4081.4434     -2576.8189

ENERGY:     371     22799.2772     19758.4809      5731.5881       178.8004        -337606.4369     22861.3511         0.0000         0.0000     43904.8959        -222372.0432       159.7139   -266276.9391   -222061.9337       159.7139          -3956.1479     -2578.2816    921491.4634     -3956.1479     -2578.2816

ENERGY:     372     22964.3599     19665.2851      5722.4284       178.5955        -337391.7869     22854.0837         0.0000         0.0000     43672.6553        -222334.3791       158.8691   -266007.0343   -222060.3194       158.8691          -3189.3381     -2552.6171    921491.4634     -3189.3381     -2552.6171

ENERGY:     373     21253.1599     19603.3417      5713.4759       178.7080        -336784.3112     22822.4881         0.0000         0.0000     44782.9948        -222430.1427       162.9082   -267213.1375   -222050.3113       162.9082          -2037.0649     -2511.6655    921491.4634     -2037.0649     -2511.6655

ENERGY:     374     19285.9366     19613.0721      5706.5680       179.1985        -336019.1231     22785.5048         0.0000         0.0000     45912.3278        -222536.5154       167.0164   -268448.8432   -222048.2689       167.0164           -983.4305     -2469.0309    921491.4634      -983.4305     -2469.0309

ENERGY:     375     18893.7027     19735.2394      5703.0316       180.0533        -335443.7681     22766.6832         0.0000         0.0000     45660.9719        -222504.0859       166.1021   -268165.0579   -222047.0942       166.1021           -539.4859     -2439.8660    921491.4634      -539.4859     -2439.8660

ENERGY:     376     19884.0272     19962.1763      5703.2010       181.1433        -335321.8626     22772.8699         0.0000         0.0000     44434.3274        -222384.1175       161.6399   -266818.4448   -222050.5529       161.6399           -874.6221     -2439.6902    921491.4634      -874.6221     -2439.6902

ENERGY:     377     20646.4608     20251.1592      5706.5521       182.3249        -335763.5795     22794.3772         0.0000         0.0000     43848.2752        -222334.4302       159.5080   -266182.7054   -222041.4012       159.5080          -1819.5856     -2472.4986    921491.4634     -1819.5856     -2472.4986

ENERGY:     378     20473.8098     20495.6594      5711.4639       183.2952        -336584.2272     22821.5835         0.0000         0.0000     44474.7535        -222423.6620       161.7869   -266898.4155   -222044.3967       161.7869          -2972.9871     -2523.3498    921491.4634     -2972.9871     -2523.3498

ENERGY:     379     20419.4575     20623.8791      5716.2160       183.8420        -337495.6090     22854.5150         0.0000         0.0000     45185.6413        -222512.0581       164.3729   -267697.6995   -222047.0128       164.3729          -3997.4171     -2563.3072    921491.4634     -3997.4171     -2563.3072

TIMING: 380  CPU: 179.192, 0.45786/step  Wall: 179.192, 0.45786/step, 0.015262 hours remaining, 3224.289062 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     21458.1130     20605.4120      5719.3306       183.8284        -338176.3450     22892.6527         0.0000         0.0000     44833.7901        -222483.2182       163.0930   -267317.0084   -222063.6480       163.0930          -4580.2703     -2564.2103    921491.4634     -4580.2703     -2564.2103

ENERGY:     381     22824.3127     20467.0311      5720.1164       183.2929        -338395.2410     22923.6567         0.0000         0.0000     43906.3004        -222370.5309       159.7191   -266276.8313   -222053.0347       159.7191          -4470.7198     -2514.6123    921491.4634     -4470.7198     -2514.6123

ENERGY:     382     22844.1905     20220.4987      5718.3197       182.2157        -338010.6532     22930.5470         0.0000         0.0000     43766.5297        -222348.3520       159.2106   -266114.8816   -222051.0364       159.2106          -3524.7153     -2418.5490    921491.4634     -3524.7153     -2418.5490

ENERGY:     383     21263.6994     19910.9247      5714.6670       180.7420        -337128.0226     22911.2842         0.0000         0.0000     44707.9442        -222438.7612       162.6352   -267146.7054   -222048.1881       162.6352          -2023.0807     -2294.0134    921491.4634     -2023.0807     -2294.0134

ENERGY:     384     19625.4114     19596.0355      5710.5349       179.0647        -336052.0485     22884.2530         0.0000         0.0000     45539.1831        -222517.5658       165.6590   -268056.7489   -222062.0926       165.6590           -569.2382     -2166.9359    921491.4634      -569.2382     -2166.9359

ENERGY:     385     19327.8181     19356.8913      5707.7751       177.4354        -335210.6398     22871.6140         0.0000         0.0000     45299.7169        -222469.3890       164.7879   -267769.1059   -222051.0993       164.7879            215.3513     -2064.3638    921491.4634       215.3513     -2064.3638

ENERGY:     386     19981.2273     19220.9466      5707.6637       175.9384        -334865.1814     22880.7954         0.0000         0.0000     44519.8584        -222378.7516       161.9510   -266898.6099   -222051.0438       161.9510            122.6669     -2011.2429    921491.4634       122.6669     -2011.2429

ENERGY:     387     20367.2860     19202.4845      5710.9354       174.6759        -335109.8721     22905.2740         0.0000         0.0000     44377.1813        -222372.0349       161.4320   -266749.2163   -222053.0050       161.4320           -738.9585     -2019.1690    921491.4634      -738.9585     -2019.1690

ENERGY:     388     20282.3986     19280.0168      5717.2934       173.7038        -335824.1511     22938.2896         0.0000         0.0000     44972.7759        -222459.6729       163.5986   -267432.4488   -222067.4815       163.5986          -2063.8552     -2076.2821    921491.4634     -2063.8552     -2076.2821

ENERGY:     389     20685.9712     19431.2565      5725.6291       173.0778        -336772.2796     22978.5915         0.0000         0.0000     45279.3792        -222498.3743       164.7139   -267777.7535   -222059.2963       164.7139          -3501.7338     -2158.1992    921491.4634     -3501.7338     -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        -337596.2506     23021.3358         0.0000         0.0000     44698.9836        -222441.0200       162.6026   -267140.0036   -222061.4793       162.6026          -4540.4923     -2229.7774    921491.4634     -4540.4923     -2229.7774

ENERGY:     391     22937.3145     19764.3496      5740.3107       172.7562        -338017.7271     23051.7295         0.0000         0.0000     43987.0070        -222364.2595       160.0126   -266351.2666   -222061.6919       160.0126          -4746.5207     -2270.9348    921491.4634     -4746.5207     -2270.9348

ENERGY:     392     22488.0361     19924.0529      5743.6080       173.0775        -337898.4683     23055.0069         0.0000         0.0000     44125.3367        -222389.3502       160.5158   -266514.6869   -222067.3166       160.5158          -3965.0290     -2276.9604    921491.4634     -3965.0290     -2276.9604

ENERGY:     393     20924.3597     20087.8869      5743.5041       173.6901        -337346.1124     23032.5722         0.0000         0.0000     44913.3818        -222470.7176       163.3825   -267384.0994   -222058.1707       163.3825          -2525.7430     -2257.0111    921491.4634     -2525.7430     -2257.0111

ENERGY:     394     19713.0846     20210.4903      5740.1181       174.4904        -336587.4362     23002.1139         0.0000         0.0000     45247.1172        -222500.0217       164.5966   -267747.1389   -222054.8626       164.5966           -988.4121     -2227.7235    921491.4634      -988.4121     -2227.7235

ENERGY:     395     19644.4019     20265.5068      5734.3763       175.3161        -335972.1477     22982.1015         0.0000         0.0000     44739.8937        -222430.5512       162.7514   -267170.4450   -222052.2371       162.7514             57.9319     -2215.1749    921491.4634        57.9319     -2215.1749

ENERGY:     396     20000.9210     20248.4507      5727.6303       175.9620        -335765.9666     22978.8833         0.0000         0.0000     44270.3051        -222363.8141       161.0432   -266634.1192   -222050.8948       161.0432            285.8963     -2246.0850    921491.4634       285.8963     -2246.0850

ENERGY:     397     19906.7784     20200.7711      5721.4919       176.2273        -336102.8171     22990.0370         0.0000         0.0000     44712.8675        -222394.6441       162.6531   -267107.5115   -222042.6599       162.6531           -376.0863     -2327.2104    921491.4634      -376.0863     -2327.2104

ENERGY:     398     19692.8115     20133.3592      5716.9814       176.0456        -336812.3375     23014.0580         0.0000         0.0000     45592.7323        -222486.3495       165.8538   -268079.0818   -222045.7221       165.8538          -1710.2237     -2443.6967    921491.4634     -1710.2237     -2443.6967

ENERGY:     399     20395.5106     20061.2891      5714.6367       175.4775        -337634.0281     23050.4581         0.0000         0.0000     45731.2029        -222505.4531       166.3575   -268236.6560   -222049.1602       166.3575          -3349.4393     -2564.3622    921491.4634     -3349.4393     -2564.3622

LDB: ============= START OF LOAD BALANCING ============== 194.26
LDB: Largest compute 230 load 0.527372 is 1.2% of average load 45.681154
LDB: Average compute 0.063947 is 0.1% of average load 45.681154
LDB: TIME 194.262 LOAD: AVG 45.6812 MAX 45.8242  PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.29 MB
LDB: TIME 194.262 LOAD: AVG 45.6812 MAX 45.8242  PROXIES: TOTAL 115 MAXPE 31 MAXPATCH 2 RefineTorusLB MEM: 3224.29 MB
LDB: TIME 194.262 LOAD: AVG 45.6812 MAX 45.8242  PROXIES: TOTAL 115 MAXPE 31 MAXPATCH 2 RefineTorusLB MEM: 3224.29 MB
LDB: ============== END OF LOAD BALANCING =============== 194.263
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.264
Info: Benchmark time: 4 CPUs 0.458176 s/step 5.30297 days/ns 3224.29 MB memory
TIMING: 400  CPU: 188.36, 0.458401/step  Wall: 188.36, 0.458401/step, 0.0127334 hours remaining, 3224.289062 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     21983.9557     19981.4882      5714.2278       174.7230        -338264.6724     23090.3523         0.0000         0.0000     44890.2685        -222429.6571       163.2985   -267319.9256   -222060.6832       163.2985          -4748.6080     -2657.0000    921491.4634     -4748.6080     -2657.0000

ENERGY:     401     23053.7074     19909.1477      5715.0562       174.0724        -338477.1021     23114.9562         0.0000         0.0000     44157.6679        -222352.4944       160.6335   -266510.1623   -222050.1991       160.6335          -5384.8818     -2700.1796    921491.4634     -5384.8818     -2700.1796

ENERGY:     402     22444.0482     19835.9108      5715.8942       173.8391        -338107.6286     23109.6373         0.0000         0.0000     44436.8099        -222391.4891       161.6489   -266828.2989   -222049.2227       161.6489          -4939.3798     -2681.7027    921491.4634     -4939.3798     -2681.7027

ENERGY:     403     20784.9696     19778.4828      5715.7218       174.2695        -337239.9783     23077.8397         0.0000         0.0000     45225.5964        -222483.0985       164.5183   -267708.6949   -222046.6855       164.5183          -3613.5982     -2605.7430    921491.4634     -3613.5982     -2605.7430

ENERGY:     404     19687.5954     19735.4028      5713.8114       175.5084        -336169.1137     23038.2895         0.0000         0.0000     45313.8395        -222504.6667       164.8393   -267818.5062   -222060.2369       164.8393          -1967.0749     -2494.0440    921491.4634     -1967.0749     -2494.0440

ENERGY:     405     19798.8802     19696.7725      5710.0281       177.6161        -335317.9343     23008.3942         0.0000         0.0000     44511.4436        -222414.7996       161.9204   -266926.2432   -222047.5588       161.9204           -627.4749     -2380.7864    921491.4634      -627.4749     -2380.7864

ENERGY:     406     20210.3504     19614.0443      5704.4965       180.4779        -334953.8231     22994.4758         0.0000         0.0000     43902.7663        -222347.2119       159.7062   -266249.9782   -222046.2402       159.7062             66.0353     -2300.4796    921491.4634        66.0353     -2300.4796

ENERGY:     407     20044.4887     19493.9065      5698.1032       183.8794        -335181.5225     22996.8156         0.0000         0.0000     44376.0634        -222388.2657       161.4279   -266764.3292   -222047.0768       161.4279            -41.3218     -2272.9970    921491.4634       -41.3218     -2272.9970

ENERGY:     408     19735.8468     19387.6645      5692.2152       187.5226        -335902.8213     23017.8169         0.0000         0.0000     45394.4120        -222487.3433       165.1324   -267881.7553   -222063.5312       165.1324           -920.8281     -2294.1557    921491.4634      -920.8281     -2294.1557

ENERGY:     409     20350.1186     19376.4608      5688.4775       191.1593        -336896.6841     23057.9918         0.0000         0.0000     45733.6057        -222498.8704       166.3663   -268232.4762   -222051.6705       166.3663          -2367.4920     -2346.9326    921491.4634     -2367.4920     -2346.9326

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      5687.6650       194.4179        -337813.1840     23106.2025         0.0000         0.0000     45077.0713        -222427.1261       163.9780   -267504.1974   -222054.6428       163.9780          -3838.6212     -2402.0241    921491.4634     -3838.6212     -2402.0241

ENERGY:     411     22931.8002     19651.0977      5689.8741       197.0388        -338354.2240     23140.9042         0.0000         0.0000     44380.5344        -222362.9747       161.4442   -266743.5091   -222056.2115       161.4442          -4745.1592     -2436.8802    921491.4634     -4745.1592     -2436.8802

ENERGY:     412     22535.8952     19878.8221      5694.3234       198.8205        -338356.4970     23146.2932         0.0000         0.0000     44499.5082        -222402.8343       161.8770   -266902.3425   -222068.4599       161.8770          -4717.2141     -2436.3028    921491.4634     -4717.2141     -2436.3028

ENERGY:     413     21130.1419     20138.5248      5699.9334       199.7191        -337872.5314     23125.1113         0.0000         0.0000     45113.2140        -222465.8869       164.1095   -267579.1009   -222055.3453       164.1095          -3850.6271     -2398.9549    921491.4634     -3850.6271     -2398.9549

ENERGY:     414     19987.3857     20381.5505      5705.1135       199.5118        -337122.7793     23094.4555         0.0000         0.0000     45271.6524        -222483.1097       164.6858   -267754.7622   -222052.1624       164.6858          -2501.3243     -2333.9464    921491.4634     -2501.3243     -2333.9464

ENERGY:     415     19745.2667     20572.1258      5708.7452       198.1487        -336456.1967     23071.1989         0.0000         0.0000     44733.2269        -222427.4845       162.7272   -267160.7114   -222049.0346       162.7272          -1174.6452     -2266.5615    921491.4634     -1174.6452     -2266.5615

ENERGY:     416     19942.3170     20661.9895      5710.0857       195.6953        -336157.5855     23063.1713         0.0000         0.0000     44200.2845        -222384.0422       160.7885   -266584.3267   -222052.9645       160.7885           -282.7613     -2224.6897    921491.4634      -282.7613     -2224.6897

ENERGY:     417     20031.3748     20631.3208      5709.0494       192.4696        -336373.1068     23072.1097         0.0000         0.0000     44338.4615        -222398.3210       161.2911   -266736.7825   -222044.6994       161.2911           -112.4552     -2227.1699    921491.4634      -112.4552     -2227.1699

ENERGY:     418     20154.6645     20457.0908      5705.5847       188.6536        -336970.7860     23098.6724         0.0000         0.0000     44915.1419        -222450.9779       163.3889   -267366.1198   -222046.7094       163.3889           -671.8544     -2269.9921    921491.4634      -671.8544     -2269.9921

ENERGY:     419     20790.7628     20185.5523      5700.4811       184.6055        -337717.8750     23139.8022         0.0000         0.0000     45250.3097        -222466.3614       164.6082   -267716.6711   -222049.5951       164.6082          -1783.9420     -2336.6464    921491.4634     -1783.9420     -2336.6464

TIMING: 420  CPU: 197.488, 0.456404/step  Wall: 197.488, 0.456404/step, 0.0101423 hours remaining, 3224.289062 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     19887.3911      5695.0415       180.6770        -338321.5504     23183.0573         0.0000         0.0000     45121.9772        -222440.5305       164.1414   -267562.5077   -222061.1148       164.1414          -3051.6029     -2402.9273    921491.4634     -3051.6029     -2402.9273

ENERGY:     421     22491.6106     19639.6136      5690.9238       177.2518        -338550.3530     23210.1383         0.0000         0.0000     44931.8956        -222408.9193       163.4499   -267340.8149   -222052.6019       163.4499          -4041.3726     -2452.8635    921491.4634     -4041.3726     -2452.8635

ENERGY:     422     22275.7615     19449.5350      5688.9976       174.4058        -338225.0311     23208.5475         0.0000         0.0000     45004.7079        -222423.0758       163.7148   -267427.7837   -222052.8450       163.7148          -4363.1153     -2465.6373    921491.4634     -4363.1153     -2465.6373

ENERGY:     423     21418.8986     19324.4274      5689.6736       172.2146        -337416.8955     23180.6040         0.0000         0.0000     45183.9709        -222447.1064       164.3669   -267631.0773   -222051.5233       164.3669          -3955.8308     -2434.9305    921491.4634     -3955.8308     -2434.9305

ENERGY:     424     20531.3310     19270.7817      5692.6543       170.6563        -336406.2764     23140.4646         0.0000         0.0000     45151.0453        -222449.3432       164.2471   -267600.3885   -222060.4128       164.2471          -3030.1610     -2370.2033    921491.4634     -3030.1610     -2370.2033

ENERGY:     425     19942.3361     19314.5610      5697.3263       169.6876        -335607.5206     23103.7920         0.0000         0.0000     44956.0477        -222423.7698       163.5377   -267379.8175   -222050.7964       163.5377          -1980.9654     -2297.0090    921491.4634     -1980.9654     -2297.0090

ENERGY:     426     19603.3347     19432.3072      5702.4947       169.0990        -335270.6876     23080.2892         0.0000         0.0000     44862.7381        -222420.4247       163.1983   -267283.1627   -222049.1090       163.1983          -1125.8050     -2237.7215    921491.4634     -1125.8050     -2237.7215

ENERGY:     427     19598.5315     19595.2901      5707.1504       168.7509        -335498.4318     23074.5007         0.0000         0.0000     44915.2772        -222438.9311       163.3894   -267354.2083   -222048.7339       163.3894           -741.9008     -2207.6355    921491.4634      -741.9008     -2207.6355

ENERGY:     428     20140.4226     19760.4173      5710.4628       168.5259        -336199.9851     23087.7677         0.0000         0.0000     44884.2592        -222448.1296       163.2766   -267332.3888   -222058.0548       163.2766           -935.5730     -2206.9584    921491.4634      -935.5730     -2206.9584

ENERGY:     429     21147.3674     19912.0621      5712.1358       168.3557        -337181.5905     23116.4521         0.0000         0.0000     44706.5242        -222418.6932       162.6300   -267125.2175   -222045.4879       162.6300          -1630.8083     -2233.4561    921491.4634     -1630.8083     -2233.4561

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

ENERGY:     430     22013.9873     20024.3739      5712.1700       168.1897        -338096.9204     23149.4494         0.0000         0.0000     44626.3097        -222402.4405       162.3382   -267028.7502   -222047.3913       162.3382          -2472.2455     -2268.0464    921491.4634     -2472.2455     -2268.0464

ENERGY:     431     22204.1023     20111.4154      5711.2600       168.0704        -338644.7645     23172.3806         0.0000         0.0000     44858.4628        -222419.0730       163.1828   -267277.5358   -222048.7167       163.1828          -3116.2805     -2293.5590    921491.4634     -3116.2805     -2293.5590

ENERGY:     432     21768.3705     20188.6725      5710.3547       168.1086        -338651.2103     23176.0847         0.0000         0.0000     45177.9909        -222461.6283       164.3451   -267639.6193   -222065.9056       164.3451          -3350.2741     -2296.1495    921491.4634     -3350.2741     -2296.1495

ENERGY:     433     21200.9073     20275.9664      5710.3763       168.4633        -338164.0639     23162.2912         0.0000         0.0000     45192.9285        -222453.1309       164.3995   -267646.0594   -222052.5980       164.3995          -3187.3732     -2272.1274    921491.4634     -3187.3732     -2272.1274

ENERGY:     434     20730.3413     20338.1500      5711.6061       169.3247        -337394.2705     23140.7737         0.0000         0.0000     44883.0998        -222420.9750       163.2724   -267304.0748   -222051.1460       163.2724          -2694.3107     -2227.7883    921491.4634     -2694.3107     -2227.7883

ENERGY:     435     20235.2201     20362.4015      5714.0003       170.8455        -336680.6556     23123.4099         0.0000         0.0000     44675.9840        -222398.7942       162.5190   -267074.7782   -222049.5887       162.5190          -2061.3580     -2179.8949    921491.4634     -2061.3580     -2179.8949

ENERGY:     436     19670.9243     20349.9982      5717.2345       173.0864        -336303.8816     23119.9080         0.0000         0.0000     44847.0984        -222425.6319       163.1414   -267272.7303   -222059.6961       163.1414          -1520.6597     -2145.1616    921491.4634     -1520.6597     -2145.1616

ENERGY:     437     19434.5516     20329.5093      5720.9893       175.9827        -336411.9790     23136.3870         0.0000         0.0000     45159.2688        -222455.2903       164.2770   -267614.5591   -222050.7504       164.2770          -1319.1167     -2134.4848    921491.4634     -1319.1167     -2134.4848

ENERGY:     438     19935.1531     20278.6097      5724.6884       179.3848        -336899.4582     23173.5522         0.0000         0.0000     45148.1326        -222459.9375       164.2365   -267608.0701   -222051.5670       164.2365          -1493.0939     -2145.0880    921491.4634     -1493.0939     -2145.0880

ENERGY:     439     21052.7407     20184.4297      5727.7929       183.0561        -337561.7726     23224.7485         0.0000         0.0000     44760.8213        -222428.1834       162.8276   -267189.0047   -222052.7967       162.8276          -1936.1987     -2169.8746    921491.4634     -1936.1987     -2169.8746

TIMING: 440  CPU: 206.613, 0.456231/step  Wall: 206.613, 0.456231/step, 0.00760384 hours remaining, 3224.289062 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     440     22071.5684     20036.2372      5729.7527       186.7201        -338123.1814     23276.2489         0.0000         0.0000     44417.5460        -222405.1080       161.5788   -266822.6540   -222059.4774       161.5788          -2408.4612     -2197.9671    921491.4634     -2408.4612     -2197.9671

ENERGY:     441     22355.5488     19860.0410      5730.3488       190.1145        -338361.1724     23313.2049         0.0000         0.0000     44502.6965        -222409.2180       161.8886   -266911.9145   -222050.0861       161.8886          -2716.1027     -2221.5313    921491.4634     -2716.1027     -2221.5313

ENERGY:     442     21853.6119     19664.5349      5729.4854       192.9411        -338090.1542     23327.1572         0.0000         0.0000     44880.6321        -222441.7915       163.2634   -267322.4236   -222049.7757       163.2634          -2710.5577     -2229.0695    921491.4634     -2710.5577     -2229.0695

ENERGY:     443     21064.3316     19487.0722      5727.6164       194.9329        -337369.3159     23320.0162         0.0000         0.0000     45118.1109        -222457.2356       164.1273   -267575.3465   -222048.5997       164.1273          -2448.1649     -2220.3530    921491.4634     -2448.1649     -2220.3530

ENERGY:     444     20449.3364     19357.2689      5725.4095       195.8735        -336464.1930     23301.5280         0.0000         0.0000     44987.7178        -222447.0589       163.6530   -267434.7768   -222057.9799       163.6530          -2090.2100     -2206.4399    921491.4634     -2090.2100     -2206.4399

ENERGY:     445     20125.5609     19307.2517      5723.6513       195.6942        -335759.3922     23283.8143         0.0000         0.0000     44708.7155        -222414.7043       162.6380   -267123.4198   -222046.5429       162.6380          -1846.9626     -2201.6925    921491.4634     -1846.9626     -2201.6925

ENERGY:     446     19947.6806     19324.9004      5722.5430       194.3235        -335494.5716     23276.0455         0.0000         0.0000     44620.2946        -222408.7840       162.3164   -267029.0786   -222046.1621       162.3164          -1800.7517     -2216.7293    921491.4634     -1800.7517     -2216.7293

ENERGY:     447     19914.2849     19416.0208      5722.2107       191.8641        -335769.4407     23282.7462         0.0000         0.0000     44816.5089        -222425.8051       163.0301   -267242.3140   -222046.8344       163.0301          -1993.3110     -2253.0602    921491.4634     -1993.3110     -2253.0602

ENERGY:     448     20187.5921     19583.6798      5722.5764       188.5554        -336503.1807     23303.8909         0.0000         0.0000     45065.6676        -222451.2185       163.9365   -267516.8861   -222059.3481       163.9365          -2372.1875     -2303.7896    921491.4634     -2372.1875     -2303.7896

ENERGY:     449     20877.4060     19832.6984      5723.5712       184.8596        -337500.9079     23334.5928         0.0000         0.0000     45101.1679        -222446.6119       164.0657   -267547.7799   -222047.7099       164.0657          -2827.1078     -2356.1405    921491.4634     -2827.1078     -2356.1405

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

ENERGY:     450     21754.4854     20108.1298      5724.4776       181.0897        -338419.3257     23364.6248         0.0000         0.0000     44854.3097        -222432.2086       163.1677   -267286.5183   -222048.7861       163.1677          -3116.6754     -2394.3894    921491.4634     -3116.6754     -2394.3894

ENERGY:     451     22355.5903     20357.7254      5724.7144       177.6517        -338952.0916     23381.8012         0.0000         0.0000     44542.6986        -222411.9100       162.0341   -266954.6087   -222048.8246       162.0341          -3074.2532     -2405.7796    921491.4634     -3074.2532     -2405.7796

ENERGY:     452     22246.2016     20536.0133      5723.8953       174.8859        -338927.1547     23378.0949         0.0000         0.0000     44452.9195        -222415.1441       161.7075   -266868.0637   -222059.6372       161.7075          -2659.9607     -2384.7568    921491.4634     -2659.9607     -2384.7568

ENERGY:     453     21399.8727     20641.1310      5722.2878       173.1350        -338392.7942     23354.5913         0.0000         0.0000     44683.7032        -222418.0732       162.5470   -267101.7764   -222043.5373       162.5470          -2048.3340     -2342.4668    921491.4634     -2048.3340     -2342.4668

ENERGY:     454     20248.3381     20654.1374      5720.2217       172.3637        -337567.1422     23320.6907         0.0000         0.0000     45008.1463        -222443.2443       163.7273   -267451.3906   -222041.8393       163.7273          -1453.4580     -2293.1450    921491.4634     -1453.4580     -2293.1450

ENERGY:     455     19486.7907     20584.7120      5718.4844       172.5169        -336790.6459     23290.4028         0.0000         0.0000     45086.5785        -222451.1605       164.0126   -267537.7390   -222040.8572       164.0126          -1151.8824     -2255.8571    921491.4634     -1151.8824     -2255.8571

ENERGY:     456     19493.3721     20440.6800      5717.7556       173.4248        -336350.1080     23274.9636         0.0000         0.0000     44811.4723        -222438.4396       163.0118   -267249.9118   -222055.3486       163.0118          -1305.5002     -2245.5822    921491.4634     -1305.5002     -2245.5822

ENERGY:     457     20047.4927     20251.9435      5718.5580       174.9241        -336395.8168     23277.8279         0.0000         0.0000     44521.8703        -222403.2003       161.9583   -266925.0706   -222049.4133       161.9583          -1906.4163     -2263.5012    921491.4634     -1906.4163     -2263.5012

ENERGY:     458     20585.8433     20019.2723      5720.7060       176.6081        -336835.0963     23294.7178         0.0000         0.0000     44632.7888        -222405.1600       162.3618   -267037.9488   -222051.2823       162.3618          -2684.6985     -2301.0426    921491.4634     -2684.6985     -2301.0426

ENERGY:     459     20903.4945     19784.9690      5724.0021       178.1985        -337468.1648     23318.6988         0.0000         0.0000     45113.9366        -222444.8653       164.1121   -267558.8020   -222053.1412       164.1121          -3350.5830     -2341.5795    921491.4634     -3350.5830     -2341.5795

TIMING: 460  CPU: 215.743, 0.456528/step  Wall: 215.743, 0.456528/step, 0.00507254 hours remaining, 3224.289062 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     460     21262.6140     19597.9064      5728.0971       179.4910        -338014.3771     23341.8006         0.0000         0.0000     45423.8564        -222480.6115       165.2395   -267904.4679   -222064.6835       165.2395          -3669.8201     -2365.2411    921491.4634     -3669.8201     -2365.2411

ENERGY:     461     21862.8765     19507.1076      5732.5752       180.4333        -338251.6219     23355.3939         0.0000         0.0000     45154.6136        -222458.6218       164.2601   -267613.2354   -222058.0506       164.2601          -3556.1666     -2361.1798    921491.4634     -3556.1666     -2361.1798

ENERGY:     462     22264.2257     19487.8111      5736.4822       180.9531        -337988.7172     23351.1089         0.0000         0.0000     44559.9289        -222408.2073       162.0968   -266968.1362   -222056.7213       162.0968          -2954.8201     -2323.4250    921491.4634     -2954.8201     -2323.4250

ENERGY:     463     21821.1792     19513.9018      5738.9361       181.1160        -337284.1029     23326.9480         0.0000         0.0000     44313.4568        -222388.5651       161.2002   -266702.0219   -222054.6241       161.2002          -2012.4425     -2264.0777    921491.4634     -2012.4425     -2264.0777

ENERGY:     464     20535.2459     19559.9275      5739.2518       181.0096        -336389.3840     23291.1944         0.0000         0.0000     44654.0264        -222428.7284       162.4391   -267082.7549   -222058.5729       162.4391          -1050.9226     -2205.5267    921491.4634     -1050.9226     -2205.5267

ENERGY:     465     19322.7826     19631.8857      5737.2898       180.7155        -335701.1533     23259.7393         0.0000         0.0000     45094.5685        -222474.1719       164.0416   -267568.7404   -222052.9387       164.0416           -512.3345     -2174.4007    921491.4634      -512.3345     -2174.4007

ENERGY:     466     19088.4509     19708.3584      5733.2107       180.2808        -335443.7724     23245.0605         0.0000         0.0000     45020.7905        -222467.6206       163.7733   -267488.4111   -222052.9785       163.7733           -630.3312     -2182.6709    921491.4634      -630.3312     -2182.6709

ENERGY:     467     19841.8068     19783.1744      5727.6703       179.7757        -335721.0949     23249.4531         0.0000         0.0000     44523.6663        -222415.5482       161.9649   -266939.2145   -222054.3494       161.9649          -1393.6027     -2232.5923    921491.4634     -1393.6027     -2232.5923

ENERGY:     468     20761.8480     19845.4943      5721.5089       179.2779        -336451.5665     23265.8127         0.0000         0.0000     44291.6584        -222385.9663       161.1209   -266677.6247   -222056.3591       161.1209          -2508.6712     -2314.1339    921491.4634     -2508.6712     -2314.1339

ENERGY:     469     21236.3015     19910.2022      5715.6824       178.8504        -337458.3202     23284.3963         0.0000         0.0000     44720.3202        -222412.5673       162.6802   -267132.8875   -222046.0750       162.6802          -3596.7405     -2405.7972    921491.4634     -3596.7405     -2405.7972

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

ENERGY:     470     21411.1732     19972.8934      5710.9491       178.5947        -338383.2509     23297.0674         0.0000         0.0000     45346.4575        -222466.1157       164.9579   -267812.5731   -222047.6089       164.9579          -4259.6995     -2477.6831    921491.4634     -4259.6995     -2477.6831

ENERGY:     471     21732.8680     20054.6834      5707.9626       178.5890        -338913.2454     23297.5086         0.0000         0.0000     45471.3367        -222470.2971       165.4122   -267941.6337   -222047.5359       165.4122          -4290.5684     -2504.3175    921491.4634     -4290.5684     -2504.3175

ENERGY:     472     22081.2363     20161.5551      5707.0091       178.9047        -338870.6769     23279.4492         0.0000         0.0000     45028.5297        -222433.9930       163.8014   -267462.5226   -222059.5058       163.8014          -3659.7362     -2479.9184    921491.4634     -3659.7362     -2479.9184

ENERGY:     473     21866.1363     20289.3425      5707.9843       179.6165        -338307.7193     23240.7364         0.0000         0.0000     44634.5174        -222389.3859       162.3681   -267023.9033   -222043.8540       162.3681          -2556.3618     -2408.1658    921491.4634     -2556.3618     -2408.1658

ENERGY:     474     20842.9704     20372.0985      5710.2160       180.7466        -337438.4554     23189.2349         0.0000         0.0000     44733.2307        -222409.9582       162.7272   -267143.1889   -222041.2620       162.7272          -1295.5526     -2316.2729    921491.4634     -1295.5526     -2316.2729

ENERGY:     475     19674.2080     20371.7673      5712.9876       182.2512        -336604.2315     23142.3819         0.0000         0.0000     45070.2139        -222450.4217       163.9531   -267520.6356   -222039.4530       163.9531           -344.6450     -2232.2127    921491.4634      -344.6450     -2232.2127

ENERGY:     476     19235.7862     20282.0274      5715.7683       184.0125        -336100.0906     23115.8468         0.0000         0.0000     45106.0633        -222460.5861       164.0835   -267566.6494   -222053.6138       164.0835            -92.4049     -2183.0652    921491.4634       -92.4049     -2183.0652

ENERGY:     477     19704.7250     20145.9813      5718.4976       185.9230        -336101.8793     23114.2941         0.0000         0.0000     44812.3208        -222420.1375       163.0149   -267232.4583   -222044.8412       163.0149           -667.4945     -2171.8228    921491.4634      -667.4945     -2171.8228

ENERGY:     478     20493.4776     19974.7639      5721.0254       187.7262        -336537.4042     23131.2462         0.0000         0.0000     44627.0333        -222402.1315       162.3409   -267029.1648   -222047.4107       162.3409          -1807.1602     -2198.7956    921491.4634     -1807.1602     -2198.7956

ENERGY:     479     21125.3057     19793.3957      5723.3295       189.2098        -337215.5845     23156.6774         0.0000         0.0000     44802.1580        -222425.5083       162.9779   -267227.6663   -222050.5460       162.9779          -3089.8514     -2246.7917    921491.4634     -3089.8514     -2246.7917

TIMING: 480  CPU: 224.87, 0.456353/step  Wall: 224.87, 0.456353/step, 0.00253529 hours remaining, 3224.289062 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     19623.1966      5725.3111       190.1900        -337854.6793     23181.5121         0.0000         0.0000     45051.6816        -222458.7550       163.8856   -267510.4367   -222064.6210       163.8856          -4077.7326     -2291.4892    921491.4634     -4077.7326     -2291.4892

ENERGY:     481     22092.4856     19510.0435      5727.0952       190.6351        -338199.2489     23196.7962         0.0000         0.0000     45041.3370        -222440.8564       163.8480   -267482.1933   -222052.5266       163.8480          -4466.2394     -2305.6733    921491.4634     -4466.2394     -2305.6733

ENERGY:     482     22186.3470     19466.6797      5728.4964       190.3597        -338044.5428     23192.7477         0.0000         0.0000     44865.8522        -222414.0601       163.2096   -267279.9122   -222051.4113       163.2096          -4059.3099     -2278.0615    921491.4634     -4059.3099     -2278.0615

ENERGY:     483     21553.1415     19511.5747      5729.5660       189.3226        -337426.2194     23165.8743         0.0000         0.0000     44861.8972        -222414.8430       163.1953   -267276.7402   -222048.7673       163.1953          -2964.1724     -2216.4116    921491.4634     -2964.1724     -2216.4116

ENERGY:     484     20460.8927     19631.1941      5730.2465       187.5455        -336590.8892     23126.1354         0.0000         0.0000     45003.6034        -222451.2716       163.7107   -267454.8751   -222059.8741       163.7107          -1565.2426     -2143.1849    921491.4634     -1565.2426     -2143.1849

ENERGY:     485     19688.7721     19800.2993      5730.5256       185.2458        -335902.5872     23092.8473         0.0000         0.0000     44955.5727        -222449.3245       163.5360   -267404.8972   -222045.9605       163.5360           -422.1570     -2086.8735    921491.4634      -422.1570     -2086.8735

ENERGY:     486     19602.5427     19954.8177      5729.7197       182.4662        -335612.3572     23080.3810         0.0000         0.0000     44645.9118        -222416.5181       162.4096   -267062.4298   -222044.6760       162.4096             87.3181     -2070.0982    921491.4634        87.3181     -2070.0982

ENERGY:     487     19881.0925     20072.0214      5727.4347       179.4360        -335846.4485     23091.0546         0.0000         0.0000     44503.3494        -222392.0598       161.8910   -266895.4093   -222045.2406       161.8910           -192.2345     -2106.8840    921491.4634      -192.2345     -2106.8840

ENERGY:     488     20125.2097     20156.1362      5723.5441       176.4338        -336552.5456     23118.8618         0.0000         0.0000     44827.0558        -222425.3042       163.0685   -267252.3600   -222057.1940       163.0685          -1145.7532     -2194.6680    921491.4634     -1145.7532     -2194.6680

ENERGY:     489     20526.8870     20236.4610      5718.5748       173.8639        -337540.4659     23156.7312         0.0000         0.0000     45266.1006        -222461.8475       164.6656   -267727.9480   -222045.6087       164.6656          -2511.2403     -2316.7067    921491.4634     -2511.2403     -2316.7067

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

ENERGY:     490     21410.7489     20292.9022      5712.8912       171.8438        -338458.1365     23196.4879         0.0000         0.0000     45213.5630        -222459.6995       164.4745   -267673.2625   -222048.2209       164.4745          -3823.4038     -2437.4155    921491.4634     -3823.4038     -2437.4155

ENERGY:     491     22430.4641     20312.1361      5707.3795       170.5404        -338984.5798     23226.0939         0.0000         0.0000     44733.0089        -222404.9570       162.7264   -267137.9659   -222049.4640       162.7264          -4629.6934     -2524.6215    921491.4634     -4629.6934     -2524.6215

ENERGY:     492     22612.9549     20289.6810      5702.9944       170.0208        -338937.5822     23232.7207         0.0000         0.0000     44542.1950        -222387.0153       162.0323   -266929.2103   -222060.3863       162.0323          -4606.8525     -2557.4730    921491.4634     -4606.8525     -2557.4730

ENERGY:     493     21558.2190     20260.7374      5700.7779       170.3200        -338358.0638     23214.0538         0.0000         0.0000     45033.8230        -222420.1329       163.8207   -267453.9558   -222046.5903       163.8207          -3796.3820     -2540.0996    921491.4634     -3796.3820     -2540.0996

ENERGY:     494     20068.3367     20225.0261      5700.9805       171.2193        -337454.3839     23183.0796         0.0000         0.0000     45622.2475        -222483.4942       165.9612   -268105.7417   -222044.0870       165.9612          -2500.8994     -2482.1068    921491.4634     -2500.8994     -2482.1068

ENERGY:     495     19383.2463     20186.8301      5703.5926       172.5416        -336566.9889     23159.4626         0.0000         0.0000     45484.1230        -222477.1928       165.4587   -267961.3158   -222041.5566       165.4587          -1249.6838     -2407.3056    921491.4634     -1249.6838     -2407.3056

ENERGY:     496     19722.4833     20130.6472      5708.0350       174.0933        -335998.7153     23154.2636         0.0000         0.0000     44699.5269        -222409.6659       162.6046   -267109.1928   -222049.0670       162.6046           -478.8997     -2343.4750    921491.4634      -478.8997     -2343.4750

ENERGY:     497     20212.6667     20059.9177      5713.4613       175.7242        -335952.5040     23166.3546         0.0000         0.0000     44261.0286        -222363.3510       161.0095   -266624.3796   -222042.7499       161.0095           -421.0230     -2316.7927    921491.4634      -421.0230     -2316.7927

ENERGY:     498     20182.0163     19957.1217      5718.5596       177.2604        -336366.4931     23189.3586         0.0000         0.0000     44728.2533        -222413.9233       162.7091   -267142.1765   -222044.5219       162.7091           -993.4677     -2331.6471    921491.4634      -993.4677     -2331.6471

ENERGY:     499     20158.0676     19847.7310      5722.4089       178.6361        -337058.4822     23219.2405         0.0000         0.0000     45439.2642        -222493.1338       165.2956   -267932.3981   -222047.2061       165.2956          -2020.8685     -2376.3389    921491.4634     -2020.8685     -2376.3389

Info: Benchmark time: 4 CPUs 0.45566 s/step 5.27385 days/ns 3224.29 MB memory
TIMING: 500  CPU: 233.926, 0.452795/step  Wall: 233.926, 0.452795/step, 0 hours remaining, 3224.289062 MB of memory in use.
ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG

ENERGY:     500     20974.8936     19756.6586      5724.4523       179.8271        -337741.4194     23251.1009         0.0000         0.0000     45359.0776        -222495.4093       165.0039   -267854.4869   -222061.0911       165.0039          -3197.5167     -2425.4142    921491.4634     -3197.5167     -2425.4142

WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.379 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.379 MB of memory in use
====================================================

WallClock: 240.709015  CPUTime: 240.709015  Memory: 3229.378906 MB
[Partition 0][Node 0] End of program
Application 1109643 resources: utime ~947s, stime ~18s, Rss ~126800, inblocks ~66552, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=240.709015
CPU=240.709015
MEM=3229.378906
total 744
-rwxr-xr-x  1 bwjenkins BW_System     18 Dec 13 14:55 cputime
-rwxr-xr-x  1 bwjenkins BW_System     19 Dec 13 14:55 memory
-rwxr-xr-x  1 bwjenkins BW_System     18 Dec 13 14:55 wallclock
-rwxr-xr-x  1 bwjenkins BW_System      9 Dec 13 14:54 status
-rwxr-xr-x  1 bwjenkins BW_System 189495 Dec 13 14:54 test.log
-rwxr-xr-x  1 bwjenkins BW_System 505293 Dec 13 14:50 build.log
drwxr-xr-x  2 bwjenkins BW_System   4096 Dec 13 14:49 bin
drwxr-xr-x 11 bwjenkins BW_System   4096 Dec 13 14:38 NAMD_2.10_Source
drwxr-xr-x  5 bwjenkins BW_System   4096 Dec 13 14:23 man
drwxr-xr-x  2 bwjenkins BW_System   4096 Dec 13 14:23 include
drwxr-xr-x  4 bwjenkins BW_System   4096 Dec 13 14:23 lib
-rwxr-xr-x  1 bwjenkins BW_System   1987 Dec 13 14:21 build-notes
-rwxr-xr-x  1 bwjenkins BW_System   4016 Dec 13 14:21 rebuild
lrwxrwxrwx  1 bwjenkins BW_System      7 Dec 13 14:21 relink -> rebuild
-rwxr-xr-x  1 bwjenkins BW_System    761 Dec 13 14:21 remodule
-rwxr-xr-x  1 bwjenkins BW_System   2926 Dec 13 14:21 retest
drwxr-xr-x 12 bwjenkins BW_System   4096 Sep  8  2010 tcl8.5.9

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

[workspace] $ /bin/sh -xe /tmp/jenkins7445976452016595100.sh
+ rm -rf /var/lib/jenkins/jobs/NAMD/workspace/cputime /var/lib/jenkins/jobs/NAMD/workspace/memory /var/lib/jenkins/jobs/NAMD/workspace/namd /var/lib/jenkins/jobs/NAMD/workspace/wallclock
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD/workspace
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD/workspace
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/memory
Finished: SUCCESS