Execution Time6.83s

Test: UNRES_CHECKGRAD1_dfa (Failed)
Build: devel Linux-ifort-MPI-5D-DFA NEWCORR (dell15) on 2020-04-10 12:26:23
Repository revision: fb796f6ccc7879c3ae3d07e87499aaa430469deb

Exit Value1

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Test output
CTEST_FULL_OUTPUT
 1  
    
 indpdb=          42  pdbref= T
 Call Read_Bridge.
 ishiftca=           1 ilastca=          76
 init_dfa_vars finished!
 read_dfa_info finished!
 ns=           0
Calling CHECK_ECARTINT   1.000D-04
           0
           1
           2
           3
           4
           5
           6
           7
           8
           9
          10
          11
          12
          13
          14
          15
          16
          17
          18
          19
          20
          21
          22
          23
          24
          25
          26
          27
          28
          29
          30
          31
          32
          33
          34
          35
          36
          37
          38
          39
          40
          41
          42
          43
          44
          45
          46
          47
          48
          49
          50
          51
          52
          53
          54
          55
          56
          57
          58
          59
          60
          61
          62
          63
          64
          65
          66
          67
          68
          69
          70
          71
          72
          73
          74
          75
          76
          77
CG processor   0 is finishing work.
Bye Bye...
Largest abs(1-numerical/analytical)=  1
Sorted:
   1  0.00000E+00
   2  0.00000E+00
   3  0.00000E+00
   4  0.00000E+00
   5  0.00000E+00
   6  0.00000E+00
   7  0.00000E+00
   8  0.00000E+00
   9  0.00000E+00
  10  0.00000E+00
  11  0.00000E+00
  12  0.00000E+00
  13  0.00000E+00
  14  0.00000E+00
  15  0.00000E+00
  16  0.00000E+00
  17  0.00000E+00
  18  0.00000E+00
  19  0.00000E+00
  20  0.00000E+00
  21  0.00000E+00
  22  0.00000E+00
  23  0.00000E+00
  24  0.00000E+00
  25  0.00000E+00
  26  0.00000E+00
  27  0.00000E+00
  28  0.00000E+00
  29  0.00000E+00
  30  0.00000E+00
  31  0.00000E+00
  32  0.00000E+00
  33  0.00000E+00
  34  0.00000E+00
  35  0.00000E+00
  36  0.00000E+00
  37  0.00000E+00
  38  0.00000E+00
  39  0.00000E+00
  40  0.00000E+00
  41  0.00000E+00
  42  0.00000E+00
  43  0.00000E+00
  44  0.00000E+00
  45  0.00000E+00
  46  0.00000E+00
  47  0.00000E+00
  48  0.00000E+00
  49  0.00000E+00
  50  0.00000E+00
  51  0.00000E+00
  52  0.00000E+00
  53  0.00000E+00
  54  0.00000E+00
  55  0.00000E+00
  56  0.00000E+00
  57  0.00000E+00
  58  0.00000E+00
  59  0.00000E+00
  60  0.00000E+00
  61  0.00000E+00
  62  0.00000E+00
  63  0.00000E+00
  64  0.00000E+00
  65  0.00000E+00
  66  0.00000E+00
  67  0.00000E+00
  68  0.00000E+00
  69  0.00000E+00
  70  0.00000E+00
  71  0.00000E+00
  72  0.00000E+00
  73  0.00000E+00
  74  0.00000E+00
  75  0.00000E+00
  76  0.00000E+00
  77  0.00000E+00
  78  0.00000E+00
  79  0.00000E+00
  80  0.00000E+00
  81  0.00000E+00
  82  0.00000E+00
  83  0.00000E+00
  84  0.00000E+00
  85  0.00000E+00
  86  0.00000E+00
  87  0.00000E+00
  88  0.00000E+00
  89  0.00000E+00
  90  0.00000E+00
  91  0.00000E+00
  92  0.00000E+00
  93  0.00000E+00
  94  0.00000E+00
  95  0.00000E+00
  96  0.00000E+00
  97  0.00000E+00
  98  0.00000E+00
  99  0.00000E+00
 100  0.00000E+00
 101  0.00000E+00
 102  0.00000E+00
 103  0.00000E+00
 104  0.00000E+00
 105  0.00000E+00
 106  0.00000E+00
 107  0.00000E+00
 108  0.00000E+00
 109  0.00000E+00
 110  0.00000E+00
 111  0.00000E+00
 112  0.00000E+00
 113  0.00000E+00
 114  0.00000E+00
 115  0.00000E+00
 116  0.00000E+00
 117  0.00000E+00
 118  0.00000E+00
 119  0.00000E+00
 120  0.00000E+00
 121  0.00000E+00
 122  0.00000E+00
 123  0.00000E+00
 124  0.00000E+00
 125  0.00000E+00
 126  0.00000E+00
 127  0.00000E+00
 128  0.00000E+00
 129  0.00000E+00
 130  0.00000E+00
 131  0.00000E+00
 132  0.00000E+00
 133  0.00000E+00
 134  0.00000E+00
 135  0.00000E+00
 136  0.00000E+00
 137  0.00000E+00
 138  0.00000E+00
 139  0.00000E+00
 140  0.00000E+00
 141  0.00000E+00
 142  0.00000E+00
 143  0.00000E+00
 144  0.00000E+00
 145  0.00000E+00
 146  0.00000E+00
 147  0.00000E+00
 148  0.00000E+00
 149  0.00000E+00
 150  0.00000E+00
 151  0.00000E+00
 152  0.00000E+00
 153  0.00000E+00
 154  0.00000E+00
 155  0.00000E+00
 156  0.00000E+00
 157  0.00000E+00
 158  0.00000E+00
 159  0.00000E+00
 160  0.00000E+00
 161  0.00000E+00
 162  0.00000E+00
 163  0.00000E+00
 164  0.00000E+00
 165  0.00000E+00
 166  0.00000E+00
 167  0.00000E+00
 168  0.00000E+00
 169  0.00000E+00
 170  0.00000E+00
 171  0.00000E+00
 172  0.00000E+00
 173  0.00000E+00
 174  0.00000E+00
 175  0.00000E+00
 176  0.00000E+00
 177  0.00000E+00
 178  0.00000E+00
 179  0.00000E+00
 180  0.00000E+00
 181  0.00000E+00
 182  0.00000E+00
 183  0.00000E+00
 184  0.00000E+00
 185  0.00000E+00
 186  0.00000E+00
 187  0.00000E+00
 188  0.00000E+00
 189  0.00000E+00
 190  0.00000E+00
 191  0.00000E+00
 192  0.00000E+00
 193  0.00000E+00
 194  0.00000E+00
 195  0.00000E+00
 196  0.00000E+00
 197  0.00000E+00
 198  0.00000E+00
 199  0.00000E+00
 200  0.00000E+00
 201  0.00000E+00
 202  0.00000E+00
 203  0.00000E+00
 204  0.00000E+00
 205  0.00000E+00
 206  0.00000E+00
 207  0.00000E+00
 208  0.00000E+00
 209  0.00000E+00
 210  0.00000E+00
 211  0.00000E+00
 212  0.00000E+00
 213  0.00000E+00
 214  0.00000E+00
 215  0.00000E+00
 216  0.00000E+00
 217  0.00000E+00
 218  0.00000E+00
 219  0.00000E+00
 220  0.00000E+00
 221  0.00000E+00
 222  0.00000E+00
 223  0.00000E+00
 224  0.00000E+00
 225  0.00000E+00
 226  0.00000E+00
 227  0.00000E+00
 228  0.00000E+00
 229  0.00000E+00
 230  0.00000E+00
 231  0.00000E+00
 232  0.00000E+00
 233  0.00000E+00
 234  0.00000E+00
 235  0.00000E+00
 236  0.00000E+00
 237  0.00000E+00
 238  0.00000E+00
 239  0.00000E+00
 240  0.00000E+00
 241  0.00000E+00
 242  0.00000E+00
 243  0.00000E+00
 244  0.00000E+00
 245  0.00000E+00
 246  0.00000E+00
 247  0.00000E+00
 248  0.00000E+00
 249  0.00000E+00
 250  0.00000E+00
 251  0.00000E+00
 252  0.00000E+00
 253  0.00000E+00
 254  0.00000E+00
 255  0.00000E+00
 256  0.00000E+00
 257  0.00000E+00
 258  0.00000E+00
 259  0.00000E+00
 260  0.00000E+00
 261  0.00000E+00
 262  0.00000E+00
 263  0.00000E+00
 264  0.00000E+00
 265  0.00000E+00
 266  0.00000E+00
 267  0.00000E+00
 268  0.00000E+00
 269  0.00000E+00
 270  0.00000E+00
 271  0.00000E+00
 272  0.00000E+00
 273  0.00000E+00
 274  0.00000E+00
 275  0.00000E+00
 276  0.00000E+00
 277  0.00000E+00
 278  0.00000E+00
 279  0.00000E+00
 280  0.00000E+00
 281  0.00000E+00
 282  0.00000E+00
 283  0.00000E+00
 284  0.00000E+00
 285  0.00000E+00
 286  0.00000E+00
 287  0.00000E+00
 288  0.00000E+00
 289  0.00000E+00
 290  0.00000E+00
 291  0.00000E+00
 292  0.00000E+00
 293  0.00000E+00
 294  0.00000E+00
 295  0.00000E+00
 296  0.00000E+00
 297  0.00000E+00
 298  0.00000E+00
 299  0.00000E+00
 300  0.00000E+00
 301  0.00000E+00
 302  0.00000E+00
 303  0.00000E+00
 304  0.00000E+00
 305  0.00000E+00
 306  0.00000E+00
 307  0.00000E+00
 308  0.00000E+00
 309  0.00000E+00
 310  0.00000E+00
 311  0.00000E+00
 312  0.00000E+00
 313  0.00000E+00
 314  0.00000E+00
 315  0.00000E+00
 316  0.00000E+00
 317  0.00000E+00
 318  0.00000E+00
 319  0.00000E+00
 320  0.00000E+00
 321  0.00000E+00
 322  0.00000E+00
 323  0.00000E+00
 324  0.00000E+00
 325  0.00000E+00
 326  0.00000E+00
 327  0.00000E+00
 328  0.00000E+00
 329  0.00000E+00
 330  0.00000E+00
 331  0.00000E+00
 332  0.00000E+00
 333  0.00000E+00
 334  0.00000E+00
 335  0.00000E+00
 336  0.00000E+00
 337  0.00000E+00
 338  0.00000E+00
 339  0.00000E+00
 340  0.00000E+00
 341  0.00000E+00
 342  0.00000E+00
 343  0.00000E+00
 344  0.00000E+00
 345  0.00000E+00
 346  0.00000E+00
 347  0.00000E+00
 348  0.00000E+00
 349  0.00000E+00
 350  0.00000E+00
 351  0.00000E+00
 352  0.00000E+00
 353  0.00000E+00
 354  0.00000E+00
 355  0.00000E+00
 356  0.00000E+00
 357  0.00000E+00
 358  0.00000E+00
 359  0.00000E+00
 360  0.00000E+00
 361  0.00000E+00
 362  0.00000E+00
 363  0.00000E+00
 364  0.00000E+00
 365  0.00000E+00
 366  0.00000E+00
 367  0.00000E+00
 368  0.00000E+00
 369  0.00000E+00
 370  0.00000E+00
 371  0.00000E+00
 372  0.00000E+00
 373  0.00000E+00
 374  0.00000E+00
 375  0.00000E+00
 376  0.00000E+00
 377  0.00000E+00
 378  0.00000E+00
 379  0.00000E+00
 380  0.00000E+00
 381  0.00000E+00
 382  0.00000E+00
 383  0.00000E+00
 384  0.00000E+00
 385  0.00000E+00
 386  0.00000E+00
 387  0.00000E+00
 388  0.00000E+00
 389  0.00000E+00
 390  0.00000E+00
 391  0.00000E+00
 392  0.00000E+00
 393  0.00000E+00
 394  0.00000E+00
 395  0.00000E+00
 396  0.00000E+00
 397  0.00000E+00
 398  0.00000E+00
 399  0.00000E+00
 400  0.00000E+00
 401  0.00000E+00
 402  0.00000E+00
 403  0.00000E+00
 404  0.00000E+00
 405  0.00000E+00
 406  0.00000E+00
 407  0.00000E+00
 408  0.00000E+00
 409  0.00000E+00
 410  0.00000E+00
 411  0.00000E+00
 412  0.00000E+00
 413  0.00000E+00
 414  0.00000E+00
 415  0.00000E+00
 416  0.00000E+00
 417  0.00000E+00
 418  0.00000E+00
 419  0.00000E+00
 420  0.00000E+00
 421  0.00000E+00
 422  0.00000E+00
 423  0.00000E+00
 424  0.00000E+00
 425  0.00000E+00
 426  0.00000E+00
 427  0.00000E+00
 428  0.00000E+00
 429  0.00000E+00
 430  0.00000E+00
 431  0.00000E+00
 432  0.00000E+00
 433  0.00000E+00
 434  0.00000E+00
 435  0.00000E+00
 436  0.00000E+00
 437  0.00000E+00
 438  0.00000E+00
ERROR largest abs(1-numerical/analytical) 1.0000000000
 greater than 0.025