Execution Time0.48s

Test: UNRES_M_CHECKGRAD_prota (Passed)
Build: devel Linux-ifort-MPI_no5D NEWCORR (dell15) on 2024-04-16 05:21:33
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef


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Test output
CTEST_FULL_OUTPUT
Bye Bye...
Bye Bye...
 2  
    
 2  
    
 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     
  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     
 ns=           0
 Call Read_Bridge.
 ns=           0
 ATU 3
Calling CHECK_ECARTINT   1.000D-04
           0
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          48
 Processor           1  CG group           0  absolute rank           1 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
  2.837181091308594E-004  order[           1 ]  0.000000000000000E+000  order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]  0.000000000000000E+000  order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  1.888275146484375E-003  order[
           8 ]  0.000000000000000E+000  order[           9 ]
  0.000000000000000E+000  order[          10 ]  0.000000000000000E+000
 Total wall clock time  0.295490026473999       sec
 Processor           0  BROADCAST time  1.251697540283203E-003  REDUCE time
  9.093284606933594E-004  GATHER time  0.000000000000000E+000  SCATTER time
  0.000000000000000E+000  SENDRECV  0.000000000000000E+000  BARRIER ene
  1.545357704162598E-002  BARRIER grad  1.907348632812500E-006
CG processor   0 is finishing work.
Largest abs(1-numerical/analytical)=  0.00141
Sorted:
   1  9.99024E-01
   2  9.99622E-01
   3  9.99901E-01
   4  9.99909E-01
   5  9.99933E-01
   6  9.99934E-01
   7  9.99955E-01
   8  9.99961E-01
   9  9.99968E-01
  10  9.99969E-01
  11  9.99973E-01
  12  9.99975E-01
  13  9.99983E-01
  14  9.99984E-01
  15  9.99985E-01
  16  9.99986E-01
  17  9.99987E-01
  18  9.99987E-01
  19  9.99988E-01
  20  9.99990E-01
  21  9.99990E-01
  22  9.99990E-01
  23  9.99991E-01
  24  9.99994E-01
  25  9.99994E-01
  26  9.99994E-01
  27  9.99994E-01
  28  9.99994E-01
  29  9.99995E-01
  30  9.99995E-01
  31  9.99996E-01
  32  9.99996E-01
  33  9.99996E-01
  34  9.99996E-01
  35  9.99996E-01
  36  9.99996E-01
  37  9.99996E-01
  38  9.99996E-01
  39  9.99996E-01
  40  9.99996E-01
  41  9.99996E-01
  42  9.99997E-01
  43  9.99997E-01
  44  9.99997E-01
  45  9.99997E-01
  46  9.99997E-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  9.99998E-01
  59  9.99998E-01
  60  9.99998E-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  1.00000E+00
  80  1.00000E+00
  81  1.00000E+00
  82  1.00000E+00
  83  1.00000E+00
  84  1.00000E+00
  85  1.00000E+00
  86  1.00000E+00
  87  1.00000E+00
  88  1.00000E+00
  89  1.00000E+00
  90  1.00000E+00
  91  1.00000E+00
  92  1.00000E+00
  93  1.00000E+00
  94  1.00000E+00
  95  1.00000E+00
  96  1.00000E+00
  97  1.00000E+00
  98  1.00000E+00
  99  1.00000E+00
 100  1.00000E+00
 101  1.00000E+00
 102  1.00000E+00
 103  1.00000E+00
 104  1.00000E+00
 105  1.00000E+00
 106  1.00000E+00
 107  1.00000E+00
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 109  1.00000E+00
 110  1.00000E+00
 111  1.00000E+00
 112  1.00000E+00
 113  1.00000E+00
 114  1.00000E+00
 115  1.00000E+00
 116  1.00000E+00
 117  1.00000E+00
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 119  1.00000E+00
 120  1.00000E+00
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 167  1.00000E+00
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 170  1.00000E+00
 171  1.00000E+00
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 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
 186  1.00000E+00
 187  1.00000E+00
 188  1.00000E+00
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 190  1.00000E+00
 191  1.00000E+00
 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
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 204  1.00000E+00
 205  1.00000E+00
 206  1.00000E+00
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 231  1.00000E+00
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 235  1.00000E+00
 236  1.00000E+00
 237  1.00000E+00
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 239  1.00000E+00
 240  1.00000E+00
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 251  1.00000E+00
 252  1.00000E+00
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 256  1.00000E+00
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 263  1.00001E+00
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 269  1.00001E+00
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 274  1.00001E+00
 275  1.00002E+00
 276  1.00002E+00
 277  1.00007E+00
 278  1.00016E+00
 279  1.00141E+00