Execution Time0.40s

Test: UNRES_CHECKGRAD1_prota (Passed)
Build: homology Linux-gfortan-MPI E0LL2Y (m10) on 2024-11-01 03:27:07

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Test output
CTEST_FULL_OUTPUT
 nodes           1  rank           0
 Processor           0  out of           1  rank in CG_COMM           0  size of CG_COMM           1  size of FG_COMM           1  rank in FG_COMM1           0  size of FG_COMM1           1
Inside initialize MPI: node=            0  iseed=              -3059742
 indpdb=          16  pdbref= T
 Call Read_Bridge.
 ns=           0
 Processor           0           0           0  ivec_start           1  ivec_end          47
 icheckgrad=           1
CG processor   0 is finishing work.
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_OVERFLOW_FLAG
STOP Bye Bye...
Largest abs(1-numerical/analytical)=  5e-05
Sorted:
   1  9.99950E-01
   2  9.99967E-01
   3  9.99971E-01
   4  9.99976E-01
   5  9.99985E-01
   6  9.99988E-01
   7  9.99991E-01
   8  9.99991E-01
   9  9.99992E-01
  10  9.99992E-01
  11  9.99992E-01
  12  9.99993E-01
  13  9.99993E-01
  14  9.99993E-01
  15  9.99993E-01
  16  9.99993E-01
  17  9.99993E-01
  18  9.99995E-01
  19  9.99995E-01
  20  9.99995E-01
  21  9.99996E-01
  22  9.99996E-01
  23  9.99996E-01
  24  9.99996E-01
  25  9.99996E-01
  26  9.99996E-01
  27  9.99996E-01
  28  9.99997E-01
  29  9.99997E-01
  30  9.99997E-01
  31  9.99997E-01
  32  9.99997E-01
  33  9.99997E-01
  34  9.99997E-01
  35  9.99997E-01
  36  9.99997E-01
  37  9.99997E-01
  38  9.99997E-01
  39  9.99998E-01
  40  9.99998E-01
  41  9.99998E-01
  42  9.99998E-01
  43  9.99998E-01
  44  9.99998E-01
  45  9.99998E-01
  46  9.99998E-01
  47  9.99998E-01
  48  9.99998E-01
  49  9.99998E-01
  50  9.99998E-01
  51  9.99998E-01
  52  9.99998E-01
  53  9.99998E-01
  54  9.99998E-01
  55  9.99998E-01
  56  9.99998E-01
  57  9.99998E-01
  58  9.99999E-01
  59  9.99999E-01
  60  9.99999E-01
  61  9.99999E-01
  62  9.99999E-01
  63  9.99999E-01
  64  9.99999E-01
  65  9.99999E-01
  66  9.99999E-01
  67  9.99999E-01
  68  9.99999E-01
  69  9.99999E-01
  70  9.99999E-01
  71  9.99999E-01
  72  9.99999E-01
  73  9.99999E-01
  74  9.99999E-01
  75  9.99999E-01
  76  9.99999E-01
  77  9.99999E-01
  78  9.99999E-01
  79  9.99999E-01
  80  9.99999E-01
  81  9.99999E-01
  82  9.99999E-01
  83  9.99999E-01
  84  9.99999E-01
  85  9.99999E-01
  86  9.99999E-01
  87  9.99999E-01
  88  9.99999E-01
  89  9.99999E-01
  90  9.99999E-01
  91  9.99999E-01
  92  9.99999E-01
  93  9.99999E-01
  94  9.99999E-01
  95  9.99999E-01
  96  9.99999E-01
  97  9.99999E-01
  98  9.99999E-01
  99  9.99999E-01
 100  9.99999E-01
 101  9.99999E-01
 102  9.99999E-01
 103  9.99999E-01
 104  9.99999E-01
 105  9.99999E-01
 106  9.99999E-01
 107  9.99999E-01
 108  9.99999E-01
 109  9.99999E-01
 110  9.99999E-01
 111  9.99999E-01
 112  9.99999E-01
 113  9.99999E-01
 114  9.99999E-01
 115  9.99999E-01
 116  9.99999E-01
 117  9.99999E-01
 118  9.99999E-01
 119  9.99999E-01
 120  1.00000E+00
 121  1.00000E+00
 122  1.00000E+00
 123  1.00000E+00
 124  1.00000E+00
 125  1.00000E+00
 126  1.00000E+00
 127  1.00000E+00
 128  1.00000E+00
 129  1.00000E+00
 130  1.00000E+00
 131  1.00000E+00
 132  1.00000E+00
 133  1.00000E+00
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 135  1.00000E+00
 136  1.00000E+00
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 148  1.00000E+00
 149  1.00000E+00
 150  1.00000E+00
 151  1.00000E+00
 152  1.00000E+00
 153  1.00000E+00
 154  1.00000E+00
 155  1.00000E+00
 156  1.00000E+00
 157  1.00000E+00
 158  1.00000E+00
 159  1.00000E+00
 160  1.00000E+00
 161  1.00000E+00
 162  1.00000E+00
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 165  1.00000E+00
 166  1.00000E+00
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 168  1.00000E+00
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 170  1.00000E+00
 171  1.00000E+00
 172  1.00000E+00
 173  1.00000E+00
 174  1.00000E+00
 175  1.00000E+00
 176  1.00000E+00
 177  1.00000E+00
 178  1.00000E+00
 179  1.00000E+00
 180  1.00000E+00
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 182  1.00000E+00
 183  1.00000E+00
 184  1.00000E+00
 185  1.00000E+00
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 195  1.00000E+00
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 226  1.00000E+00
 227  1.00000E+00
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 229  1.00000E+00
 230  1.00000E+00
 231  1.00000E+00
 232  1.00000E+00
 233  1.00000E+00
 234  1.00000E+00
 235  1.00000E+00
 236  1.00000E+00
 237  1.00000E+00
 238  1.00000E+00
 239  1.00000E+00
 240  1.00000E+00
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 244  1.00000E+00
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 246  1.00000E+00
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 249  1.00000E+00
 250  1.00000E+00
 251  1.00000E+00
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 256  1.00000E+00
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 261  1.00000E+00
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 278  1.00004E+00
 279  1.00004E+00