Execution Time0.24s

Test: UNRES_M_multi_ene1 (Failed)
Build: devel Linux-ifort-MPI_no5D NEWCORR (dell15) on 2024-03-30 05:16:43
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef

Exit Value1

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Test output
CTEST_FULL_OUTPUT
 1  
    
 indpdb=          23  pdbref= T
 Call Read_Bridge.
 ns=           0
 Processor           0  CG Group           0  absolute rank           0  iatsc_s
 =           2  iatsc_e=          92
 Processor           0  CG group           0  absolute rank           0 
  nele_int_tot        3828  my_ele_inds=           1  my_ele_inde        3828
Processor





 CG group





 absolute rank





 Processor:           0  CG group           0  absolute rank           0 
  loc_start           2  loc_end          92  ithet_start           3  ithet_end
          93  iphi_start           5  iphi_end          93  iphid_start
           5  iphid_end          92  ibond_start           2  ibond_end
          92  ibondp_start           3  ibondp_end          93  iturn3_start
           2  iturn3_end          90  iturn4_start           2  iturn4_end
          89  ivec_start           1  ivec_end          92  iset_start
           4  iset_end          94  idihconstr_start           1  idihconstr_end
           0  ithetaconstr_start           1  ithetaconstr_end           0
 Processor:           0           0  igrad_start           1  igrad_end
          91  ngrad_start           1  ngrad_end        4186
 Processor:           0           0           1           2          93
 Processor:           0           0           2           3          93
 Processor:           0           0           3           4          93
 Processor:           0           0           4           5          93
 Processor:           0           0           5           6          93
 Processor:           0           0           6           7          93
 Processor:           0           0           7           8          93
 Processor:           0           0           8           9          93
 Processor:           0           0           9          10          93
 Processor:           0           0          10          11          93
 Processor:           0           0          11          12          93
 Processor:           0           0          12          13          93
 Processor:           0           0          13          14          93
 Processor:           0           0          14          15          93
 Processor:           0           0          15          16          93
 Processor:           0           0          16          17          93
 Processor:           0           0          17          18          93
 Processor:           0           0          18          19          93
 Processor:           0           0          19          20          93
 Processor:           0           0          20          21          93
 Processor:           0           0          21          22          93
 Processor:           0           0          22          23          93
 Processor:           0           0          23          24          93
 Processor:           0           0          24          25          93
 Processor:           0           0          25          26          93
 Processor:           0           0          26          27          93
 Processor:           0           0          27          28          93
 Processor:           0           0          28          29          93
 Processor:           0           0          29          30          93
 Processor:           0           0          30          31          93
 Processor:           0           0          31          32          93
 Processor:           0           0          32          33          93
 Processor:           0           0          33          34          93
 Processor:           0           0          34          35          93
 Processor:           0           0          35          36          93
 Processor:           0           0          36          37          93
 Processor:           0           0          37          38          93
 Processor:           0           0          38          39          93
 Processor:           0           0          39          40          93
 Processor:           0           0          40          41          93
Bye Bye...
 Processor:           0           0          41          42          93
 Processor:           0           0          42          43          93
 Processor:           0           0          43          44          93
 Processor:           0           0          44          45          93
 Processor:           0           0          45          46          93
 Processor:           0           0          46          47          93
 Processor:           0           0          47          48          93
 Processor:           0           0          48          49          93
 Processor:           0           0          49          50          93
 Processor:           0           0          50          51          93
 Processor:           0           0          51          52          93
 Processor:           0           0          52          53          93
 Processor:           0           0          53          54          93
 Processor:           0           0          54          55          93
 Processor:           0           0          55          56          93
 Processor:           0           0          56          57          93
 Processor:           0           0          57          58          93
 Processor:           0           0          58          59          93
 Processor:           0           0          59          60          93
 Processor:           0           0          60          61          93
 Processor:           0           0          61          62          93
 Processor:           0           0          62          63          93
 Processor:           0           0          63          64          93
 Processor:           0           0          64          65          93
 Processor:           0           0          65          66          93
 Processor:           0           0          66          67          93
 Processor:           0           0          67          68          93
 Processor:           0           0          68          69          93
 Processor:           0           0          69          70          93
 Processor:           0           0          70          71          93
 Processor:           0           0          71          72          93
 Processor:           0           0          72          73          93
 Processor:           0           0          73          74          93
 Processor:           0           0          74          75          93
 Processor:           0           0          75          76          93
 Processor:           0           0          76          77          93
 Processor:           0           0          77          78          93
 Processor:           0           0          78          79          93
 Processor:           0           0          79          80          93
 Processor:           0           0          80          81          93
 Processor:           0           0          81          82          93
 Processor:           0           0          82          83          93
 Processor:           0           0          83          84          93
 Processor:           0           0          84          85          93
 Processor:           0           0          85          86          93
 Processor:           0           0          86          87          93
 Processor:           0           0          87          88          93
 Processor:           0           0          88          89          93
 Processor:           0           0          89          90          93
 Processor:           0           0          90          91          93
 Processor:           0           0          91          92          92
 after etotal
 after hairpin
 after secondary
 refstr= T
CG processor   0 is finishing work.
WARNING: energy is somewhat different 0.2564, ene= 7.983808E+02