$ ../gda.exe

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  ###                                                                      ###
 ###            TINKER  ---  Software Tools for Molecular Design            ###
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 ##                        Version 8.4  February 2018                        ##
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 ##               Copyright (c)  Jay William Ponder  1990-2018               ##
 ###                           All Rights Reserved                          ###
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  ### Special version for Windows (x86)                                    ###
  ### compiled by Alan Liska & Veronika Ruzickova                          ###
  ### on March 21, 2019                                                    ###
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 Enter Cartesian Coordinate File Name :  a.xyz

 Enter the Initial Mean Squared Gaussian Width [200.0] :  200.0

 Enter Number of Annealing Trials [1] :  1

 Use Randomized Initial Coordinates [N] :  N

 Enter Initial and Final Beta [0.01, 10**10] :  0.01, 100**10


 Gaussian Density Annealing Global Optimization :

 BS Step     Log(Beta)      Energy         Rg        Log(M2)       Status

     0        -2.0000      -4.2381       1.9292       2.3010
 GDA1  --  Warning, Negative M2 at Atom     1 with Value -0.8414D+05
 GDA1  --  Warning, Negative M2 at Atom     2 with Value -0.2665D+05
 GDA1  --  Warning, Negative M2 at Atom     3 with Value -0.2665D+05
 GDA1  --  Warning, Negative M2 at Atom     4 with Value -0.2660D+05
 GDA1  --  Warning, Negative M2 at Atom     5 with Value -0.8342D+05
 GDA1  --  Warning, Negative M2 at Atom     6 with Value -0.2663D+05
 GDA1  --  Warning, Negative M2 at Atom     7 with Value -0.2653D+05
 GDA1  --  Warning, Negative M2 at Atom     8 with Value -0.2663D+05
 GDA1  --  Warning, Negative M2 at Atom     1 with Value -0.2443D+13
 GDA1  --  Warning, Negative M2 at Atom     2 with Value -0.8379D+11
 GDA1  --  Warning, Negative M2 at Atom     3 with Value -0.8382D+11
 GDA1  --  Warning, Negative M2 at Atom     4 with Value -0.6185D+11
 GDA1  --  Warning, Negative M2 at Atom     5 with Value -0.9947D+12
 GDA1  --  Warning, Negative M2 at Atom     6 with Value -0.5671D+10
 GDA1  --  Warning, Negative M2 at Atom     7 with Value -0.3990D+11
 GDA1  --  Warning, Negative M2 at Atom     8 with Value -0.5680D+10
 GDA1  --  Warning, Negative M2 at Atom     1 with Value -0.4197D+05
 GDA1  --  Warning, Negative M2 at Atom     2 with Value -0.1322D+05
 GDA1  --  Warning, Negative M2 at Atom     3 with Value -0.1322D+05
 GDA1  --  Warning, Negative M2 at Atom     4 with Value -0.1320D+05
 GDA1  --  Warning, Negative M2 at Atom     5 with Value -0.4161D+05
 GDA1  --  Warning, Negative M2 at Atom     6 with Value -0.1322D+05
 GDA1  --  Warning, Negative M2 at Atom     7 with Value -0.1317D+05
 GDA1  --  Warning, Negative M2 at Atom     8 with Value -0.1322D+05
 GDA1  --  Warning, Negative M2 at Atom     1 with Value -0.2811D+13
 GDA1  --  Warning, Negative M2 at Atom     2 with Value -0.2504D+10
 GDA1  --  Warning, Negative M2 at Atom     3 with Value -0.2505D+10
 GDA1  --  Warning, Negative M2 at Atom     4 with Value -0.1889D+10
 GDA1  --  Warning, Negative M2 at Atom     5 with Value -0.5660D+11
 GDA1  --  Warning, Negative M2 at Atom     6 with Value -0.2474D+09
 GDA1  --  Warning, Negative M2 at Atom     7 with Value -0.1928D+12
 GDA1  --  Warning, Negative M2 at Atom     8 with Value -0.2472D+09
 GDA1  --  Warning, Negative M2 at Atom     1 with Value -0.4114D+43
 GDA1  --  Warning, Negative M2 at Atom     2 with Value -0.1088D+37
 GDA1  --  Warning, Negative M2 at Atom     3 with Value -0.1088D+37
 GDA1  --  Warning, Negative M2 at Atom     4 with Value -0.6195D+36
 GDA1  --  Warning, Negative M2 at Atom     5 with Value -0.5460D+38
 GDA1  --  Warning, Negative M2 at Atom     6 with Value -0.1001D+31
 GDA1  --  Warning, Negative M2 at Atom     7 with Value -0.6325D+39
 GDA1  --  Warning, Negative M2 at Atom     8 with Value -0.9988D+30
 GDA1  --  Warning, Negative M2 at Atom     1 with Value -0.6791+163
 GDA1  --  Warning, Negative M2 at Atom     2 with Value -0.1582+150
 GDA1  --  Warning, Negative M2 at Atom     3 with Value -0.1583+150
 GDA1  --  Warning, Negative M2 at Atom     4 with Value -0.5134+149
 GDA1  --  Warning, Negative M2 at Atom     5 with Value -0.3626+147
 GDA1  --  Warning, Negative M2 at Atom     6 with Value -0.5685+130
 GDA1  --  Warning, Negative M2 at Atom     7 with Value -0.4412+149
 GDA1  --  Warning, Negative M2 at Atom     8 with Value -0.5664+130
     1        -2.0000      -4.2386       1.9292       2.2993       Retry
     2        -2.0000      -4.2401       1.9291       2.2945      Success
     3        -1.9999      -4.2521       1.9290       2.2509      Success
     4        -1.9996      -4.2711       1.9285       2.1670      Success
     5        -1.9991      -4.2915       1.9279       2.0562      Success
     6        -1.9982      -4.3140       1.9270       1.9089      Success
     7        -1.9966      -4.3357       1.9260       1.7448      Success
     8        -1.9941      -4.3576       1.9249       1.5604      Success
     9        -1.9900      -4.3793       1.9238       1.3649      Success
    10        -1.9832      -4.4012       1.9226       1.1607      Success
    11        -1.9722      -4.4233       1.9213       0.9510      Success
    12        -1.9546      -4.4456       1.9201       0.7377      Success
    13        -1.9269      -4.4683       1.9188       0.5221      Success
    14        -1.8845      -4.4912       1.9174       0.3052      Success
    15        -1.8224      -4.5144       1.9161       0.0873      Success
    16        -1.7358      -4.5379       1.9148      -0.1310      Success
    17        -1.6220      -4.5618       1.9134      -0.3496      Success
    18        -1.4815      -4.5859       1.9120      -0.5685      Success
    19        -1.3179      -4.6103       1.9106      -0.7875      Success
    20        -1.1360      -4.6351       1.9092      -1.0065      Success
    21        -0.9411      -4.6601       1.9078      -1.2256      Success
    22        -0.7372      -4.6855       1.9064      -1.4447      Success
    23        -0.5275      -4.7112       1.9050      -1.6638      Success
    24        -0.3142      -4.7372       1.9035      -1.8830      Success
    25        -0.0986      -4.7636       1.9021      -2.1021      Success
    26         0.1185      -4.7903       1.9006      -2.3213      Success
    27         0.3363      -4.8174       1.8992      -2.5404      Success
    28         0.5547      -4.8448       1.8977      -2.7596      Success
    29         0.7734      -4.8726       1.8962      -2.9788      Success
    30         0.9922      -4.9008       1.8947      -3.1979      Success
    31         1.2112      -4.9294       1.8932      -3.4171      Success
    32         1.4303      -4.9583       1.8917      -3.6362      Success
    33         1.6494      -4.9876       1.8902      -3.8554      Success
    34         1.8685      -5.0173       1.8886      -4.0745      Success
    35         2.0877      -5.0475       1.8871      -4.2937      Success
    36         2.3068      -5.0780       1.8855      -4.5129      Success
    37         2.5260      -5.1090       1.8839      -4.7320      Success
    38         2.7451      -5.1404       1.8824      -4.9512      Success
    39         2.9643      -5.1723       1.8808      -5.1703      Success
    40         3.1834      -5.2046       1.8792      -5.3895      Success
    41         3.4026      -5.2373       1.8776      -5.6086      Success
    42         3.6218      -5.2705       1.8759      -5.8278      Success
    43         3.8409      -5.3042       1.8743      -6.0470      Success
    44         4.0601      -5.3384       1.8726      -6.2661      Success
    45         4.2793      -5.3731       1.8710      -6.4853      Success
    46         4.4984      -5.4082       1.8693      -6.7044      Success
    47         4.7176      -5.4439       1.8676      -6.9236      Success
    48         4.9367      -5.4801       1.8659      -7.1427      Success
    49         5.1559      -5.5169       1.8642      -7.3619      Success
    50         5.3751      -5.5541       1.8625      -7.5810      Success
    51         5.5942      -5.5920       1.8608      -7.8002      Success
    52         5.8134      -5.6304       1.8590      -8.0194      Success
    53         6.0325      -5.6693       1.8573      -8.2385      Success
    54         6.2517      -5.7089       1.8555      -8.4577      Success
    55         6.4709      -5.7490       1.8537      -8.6768      Success
    56         6.6900      -5.7898       1.8519      -8.8960      Success
    57         6.9092      -5.8311       1.8501      -9.1151      Success
    58         7.1283      -5.8731       1.8483      -9.3343      Success
    59         7.3475      -5.9158       1.8464      -9.5534      Success
    60         7.5666      -5.9591       1.8446      -9.7726      Success
    61         7.7858      -6.0030       1.8427      -9.9917      Success
    62         8.0050      -6.0477       1.8408     -10.2109      Success
    63         8.2241      -6.0930       1.8390     -10.4300      Success
    64         8.4433      -6.1391       1.8370     -10.6492      Success
    65         8.6624      -6.1858       1.8351     -10.8683      Success
    66         8.8816      -6.2333       1.8332     -11.0875      Success
    67         9.1007      -6.2816       1.8312     -11.3066      Success
    68         9.3199      -6.3306       1.8293     -11.5258      Success
    69         9.5390      -6.3804       1.8273     -11.7449      Success
    70         9.7582      -6.4310       1.8253     -11.9641      Success
    71         9.9773      -6.4824       1.8233     -12.1832      Success
    72        10.0000      -6.4878       1.8231     -12.2059      Success

 DIFFEQ  --  Normal Termination at Integration Limit

 Finite-Difference Truncated-Newton Conjugate-Gradient Optimization :

 Algorithm : DTNCG      Preconditioning : AUTO        RMS Grad : 0.10D-03

 TN Iter     F Value      G RMS      F Move   X Move   CG Iter  Solve   FG Call

    72        3.7986    28.2688                                               1
    73       -2.3161     2.5942      6.1147   0.1250       7   TruncNewt     10
    74       -2.5817     3.2919      0.2656   0.0674       9    NegCurve     14
    75       -2.7360     1.0592      0.1543   0.0693      11    NegCurve     19
    76       -2.7453     0.7105      0.0093   0.0272      13    NegCurve     23
    77       -2.7489     0.1975      0.0036   0.0407      16   TruncNewt     29
    78       -2.7493     0.0640      0.0003   0.0091      19    NegCurve     34
    79       -2.7493     0.0005      0.0000   0.0005      20   TruncNewt     36
    80       -2.7493     0.0000      0.0000   0.0006      27    NegCurve     44

 TNCG  --  Normal Termination due to SmallGrad

 Global Energy Minimum for Trial   1 :        -2.7493