Execution Time0.28s

Test: UNRES_M_ENE_prota (Passed)
Build: devel Linux-ifort-MPI_no5D E0LL2Y (dell15) on 2024-04-16 05:06:33
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef


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Test output
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
 2  
    
 2  
    
 indpdb=          23  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
  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     
 Processor           0  CG Group           0  absolute rank           0  iatsc_s
 =           2  iatsc_e=          15
 Processor           0  CG group           0  absolute rank           0 
  nele_int_tot         861  my_ele_inds=           1  my_ele_inde         430
Processor





 CG group





 absolute rank





 Processor:           0  CG group           0  absolute rank           0 
  loc_start           2  loc_end          24  ithet_start           3  ithet_end
          25  iphi_start           5  iphi_end          25  iphid_start
           5  iphid_end          25  ibond_start           2  ibond_end
          24  ibondp_start           3  ibondp_end          24  iturn3_start
           2  iturn3_end          22  iturn4_start           2  iturn4_end
          22  ivec_start           1  ivec_end          23  iset_start
           4  iset_end          26  idihconstr_start           1  idihconstr_end
           0  ithetaconstr_start           1  ithetaconstr_end           0
 Processor:           0           0  igrad_start           1  igrad_end
          14  ngrad_start           1  ngrad_end         540
 Processor:           0           0           1           2          48
 Processor:           0           0           2           3          48
 Processor:           0           0           3           4          48
 Processor:           0           0           4           5          48
 Processor:           0           0           5           6          48
 Processor:           0           0           6           7          48
 Processor:           0           0           7           8          48
 Processor:           0           0           8           9          48
 Processor:           0           0           9          10          48
 Processor:           0           0          10          11          48
 Processor:           0           0          11          12          48
 Processor:           0           0          12          13          48
 Processor:           0           0          13          14          48
 Processor:           0           0          14          15          34
 ns=           0
 Processor           1  CG Group           0  absolute rank           1  iatsc_s
 =          15  iatsc_e=          46
 Processor           1  CG group           0  absolute rank           1 
  nele_int_tot         861  my_ele_inds=         431  my_ele_inde         861
Processor
[NON-XML-CHAR-0x1]



 CG group





 absolute rank
[NON-XML-CHAR-0x1]



 Processor:           1  CG group           0  absolute rank           1 
  loc_start          25  loc_end          47  ithet_start          26  ithet_end
          48  iphi_start          26  iphi_end          47  iphid_start
          26  iphid_end          46  ibond_start          25  ibond_end
          47  ibondp_start          25  ibondp_end          47  iturn3_start
          23  iturn3_end          44  iturn4_start          23  iturn4_end
          43  ivec_start          24  ivec_end          47  iset_start
          27  iset_end          49  idihconstr_start           1  idihconstr_end
           0  ithetaconstr_start           1  ithetaconstr_end           0
 Processor:           1           1  igrad_start          14  igrad_end
          46  ngrad_start         541  ngrad_end        1081
 Processor:           1           1          14          35          48
 Processor:           1           1          15          16          48
 Processor:           1           1          16          17          48
 Processor:           1           1          17          18          48
 Processor:           1           1          18          19          48
 Processor:           1           1          19          20          48
 Processor:           1           1          20          21          48
 Processor:           1           1          21          22          48
 Processor:           1           1          22          23          48
 Processor:           1           1          23          24          48
 Processor:           1           1          24          25          48
 Processor:           1           1          25          26          48
 Processor:           1           1          26          27          48
 Processor:           1           1          27          28          48
 Processor:           1           1          28          29          48
 Processor:           1           1          29          30          48
 Processor:           1           1          30          31          48
 Processor:           1           1          31          32          48
 Processor:           1           1          32          33          48
 Processor:           1           1          33          34          48
 Processor:           1           1          34          35          48
 Processor:           1           1          35          36          48
 Processor:           1           1          36          37          48
 Processor:           1           1          37          38          48
 Processor:           1           1          38          39          48
 Processor:           1           1          39          40          48
 Processor:           1           1          40          41          48
 Processor:           1           1          41          42          48
 Processor:           1           1          42          43          48
 Processor:           1           1          43          44          48
 Processor:           1           1          44          45          48
 Processor:           1           1          45          46          48
 Processor:           1           1          46          47          47
 after etotal
 after hairpin
 after secondary
 refstr= T
 Processor           1  CG group           0  absolute rank           1 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
  0.000000000000000E+000  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 ]  0.000000000000000E+000  order[
           8 ]  0.000000000000000E+000  order[           9 ]
  0.000000000000000E+000  order[          10 ]  0.000000000000000E+000
 Total wall clock time  7.733893394470215E-002  sec
 Processor           0  BROADCAST time  6.914138793945312E-006  REDUCE time
  2.098083496093750E-005  GATHER time  0.000000000000000E+000  SCATTER time
  0.000000000000000E+000  SENDRECV  0.000000000000000E+000  BARRIER ene
  1.192092895507812E-005  BARRIER grad  0.000000000000000E+000
CG processor   0 is finishing work.
Bye Bye...
Bye Bye...
OK: absdiff= 0, ene= -1.460091E+02
OK: absdiff= 0, ene= -1.460091E+02