Execution Time0.77s

Test: UNRES_CHECKGRAD_prota (Failed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2017-11-28 04:20:43
Repository revision: 2e4664425cf99771a8d398073b3c546df52e111b

Exit Value1

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Test output
CTEST_FULL_OUTPUT
Warning: ieee_invalid is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_overflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_inexact is signaling
Bye Bye...
[dell15:121191] 1 more process has sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:121191] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
--------------------------------------------------------------------------
The library attempted to open the following supporting CUDA libraries, 
but each of them failed.  CUDA-aware support is disabled.
libcuda.so.1: cannot open shared object file: No such file or directory
/usr/lib64/libcuda.so.1: cannot open shared object file: No such file or directory
If you are not interested in CUDA-aware support, then run with 
--mca mpi_cuda_support 0 to suppress this message.  If you are interested
in CUDA-aware support, then try setting LD_LIBRARY_PATH to the location
of libcuda.so.1 to get passed this issue.
--------------------------------------------------------------------------
 nodes            2  rank            1
 nodes            2  rank            0
 Processor            1  out of            2  rank in FG_COMM            1 
  size of FG_COMM            2  rank in FG_COMM1            1  size of FG_COMM1
 Processor            0  out of            2  rank in CG_COMM            0 
  size of CG_COMM            1  size of FG_COMM            2  rank in FG_COMM1 
             2
            0  size of FG_COMM1            2
Inside initializeInside initialize thetname_pdb 
 /tmp/cdash/homology/source/PARAM/thetaml.5parm                                                                                                                                                                                                                  
 thetname_pdb 
           51  opened
 /tmp/cdash/homology/source/PARAM/thetaml.5parm                                                                                                                                                                                                                  
           51  opened
 ns=            0
 MPI: node=             0  iseed=                  -3059742
 Processor            1            1            1  ivec_start           24 
  ivec_end           47
 indpdb=           16  pdbref=  T
 Call Read_Bridge.
 ns=            0
 Processor            0            0            0  ivec_start            1 
  ivec_end           23
 icheckgrad=            1
 Processor            1  CG group            0  absolute rank            1 
  leves ERGASTULUM.
 Total wall clock time   0.5582888126373291       sec
 Processor            0  BROADCAST time   2.7587413787841797E-003  REDUCE time 
   7.9441070556640625E-004  GATHER time    0.000000000000000       SCATTER time
     0.000000000000000       SENDRECV    0.000000000000000       BARRIER ene 
   6.5183639526367188E-004  BARRIER grad   9.5367431640625000E-007
CG processor   0 is finishing work.
 Processor            1  wait times for respective orders order[            0 ]
    7.2121620178222656E-004  order[            1 ]    0.000000000000000      
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    0.000000000000000      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   1.1665821075439453E-003 
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000      
  order[           11 ]    0.000000000000000       order[           12 ] 
    0.000000000000000     
Largest abs(1-numerical/analytical)=  0.034794
Sorted:
   1  9.65206E-01
   2  9.99950E-01
   3  9.99966E-01
   4  9.99970E-01
   5  9.99976E-01
   6  9.99985E-01
   7  9.99988E-01
   8  9.99990E-01
   9  9.99991E-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  9.99995E-01
  18  9.99995E-01
  19  9.99996E-01
  20  9.99996E-01
  21  9.99996E-01
  22  9.99996E-01
  23  9.99996E-01
  24  9.99996E-01
  25  9.99996E-01
  26  9.99997E-01
  27  9.99997E-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  9.99998E-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  9.99998E-01
  54  9.99998E-01
  55  9.99998E-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  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
 134  1.00000E+00
 135  1.00000E+00
 136  1.00000E+00
 137  1.00000E+00
 138  1.00000E+00
 139  1.00000E+00
 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
 191  1.00000E+00
 192  1.00000E+00
 193  1.00000E+00
 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
 216  1.00000E+00
 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
 241  1.00000E+00
 242  1.00000E+00
 243  1.00000E+00
 244  1.00000E+00
 245  1.00000E+00
 246  1.00000E+00
 247  1.00000E+00
 248  1.00000E+00
 249  1.00000E+00
 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  1.00001E+00
 261  1.00001E+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  1.00002E+00
 273  1.00002E+00
 274  1.00002E+00
 275  1.00003E+00
 276  1.00003E+00
 277  1.00003E+00
 278  1.00004E+00
 279  1.00004E+00
ERROR largest abs(1-numerical/analytical) 0.0347940000
 greater than 0.0003