Execution Time1.14s

Test: UNRES_M_CHECKGRAD1_prota (Passed)
Build: devel Linux-ifort-MPI_no5D E0LL2Y (dell15) on 2024-11-01 04:09:25

Processors[Graph]1

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Test output
CTEST_FULL_OUTPUT
 1  
    
 indpdb=          16  pdbref= T
  0.000000000000000E+000  0.000000000000000E+000
          45          46          47
   1.97500000000000       -2.01700000000000     
          45          46          47
 -0.872000000000000       -3.21600000000000     
          45          46          47
   3.16900000000000       0.434000000000000     
  0.000000000000000E+000  0.000000000000000E+000
           2           3           4
  0.915000000000000       -1.55200000000000     
           2           3           4
   3.31600000000000        2.11600000000000     
           2           3           4
  -1.55800000000000        2.75900000000000     
 Call Read_Bridge.
 ns=           0
 ATU 3
Calling CHECK_ECARTINT   1.000D-04
           0
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           8
           9
          10
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          43
          44
          45
          46
          47
          48
CG processor   0 is finishing work.
Bye Bye...
Largest abs(1-numerical/analytical)=  0.02343
Sorted:
   1  9.94584E-01
   2  9.99566E-01
   3  9.99888E-01
   4  9.99938E-01
   5  9.99950E-01
   6  9.99951E-01
   7  9.99976E-01
   8  9.99985E-01
   9  9.99988E-01
  10  9.99991E-01
  11  9.99992E-01
  12  9.99992E-01
  13  9.99992E-01
  14  9.99993E-01
  15  9.99993E-01
  16  9.99993E-01
  17  9.99993E-01
  18  9.99994E-01
  19  9.99995E-01
  20  9.99995E-01
  21  9.99995E-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  9.99996E-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  9.99998E-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  9.99999E-01
  54  9.99999E-01
  55  9.99999E-01
  56  9.99999E-01
  57  9.99999E-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  1.00000E+00
 115  1.00000E+00
 116  1.00000E+00
 117  1.00000E+00
 118  1.00000E+00
 119  1.00000E+00
 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
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 130  1.00000E+00
 131  1.00000E+00
 132  1.00000E+00
 133  1.00000E+00
 134  1.00000E+00
 135  1.00000E+00
 136  1.00000E+00
 137  1.00000E+00
 138  1.00000E+00
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 140  1.00000E+00
 141  1.00000E+00
 142  1.00000E+00
 143  1.00000E+00
 144  1.00000E+00
 145  1.00000E+00
 146  1.00000E+00
 147  1.00000E+00
 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
 163  1.00000E+00
 164  1.00000E+00
 165  1.00000E+00
 166  1.00000E+00
 167  1.00000E+00
 168  1.00000E+00
 169  1.00000E+00
 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
 181  1.00000E+00
 182  1.00000E+00
 183  1.00000E+00
 184  1.00000E+00
 185  1.00000E+00
 186  1.00000E+00
 187  1.00000E+00
 188  1.00000E+00
 189  1.00000E+00
 190  1.00000E+00
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 192  1.00000E+00
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 194  1.00000E+00
 195  1.00000E+00
 196  1.00000E+00
 197  1.00000E+00
 198  1.00000E+00
 199  1.00000E+00
 200  1.00000E+00
 201  1.00000E+00
 202  1.00000E+00
 203  1.00000E+00
 204  1.00000E+00
 205  1.00000E+00
 206  1.00000E+00
 207  1.00000E+00
 208  1.00000E+00
 209  1.00000E+00
 210  1.00000E+00
 211  1.00000E+00
 212  1.00000E+00
 213  1.00000E+00
 214  1.00000E+00
 215  1.00000E+00
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 217  1.00000E+00
 218  1.00000E+00
 219  1.00000E+00
 220  1.00000E+00
 221  1.00000E+00
 222  1.00000E+00
 223  1.00000E+00
 224  1.00000E+00
 225  1.00000E+00
 226  1.00000E+00
 227  1.00000E+00
 228  1.00000E+00
 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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 243  1.00000E+00
 244  1.00000E+00
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 246  1.00000E+00
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 248  1.00000E+00
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 250  1.00000E+00
 251  1.00000E+00
 252  1.00000E+00
 253  1.00000E+00
 254  1.00000E+00
 255  1.00000E+00
 256  1.00000E+00
 257  1.00000E+00
 258  1.00000E+00
 259  1.00000E+00
 260  1.00000E+00
 261  1.00000E+00
 262  1.00001E+00
 263  1.00001E+00
 264  1.00001E+00
 265  1.00001E+00
 266  1.00001E+00
 267  1.00001E+00
 268  1.00001E+00
 269  1.00001E+00
 270  1.00001E+00
 271  1.00001E+00
 272  1.00001E+00
 273  1.00002E+00
 274  1.00002E+00
 275  1.00003E+00
 276  1.00003E+00
 277  1.00004E+00
 278  1.00004E+00
 279  1.02343E+00