CDash : UNRES

5.57s

Test: UNRES_M_multi_min (Passed)
Build: devel Linux-ifort-MPI_no5D E0LL2Y (dell15) on 2024-04-14 04:53:44
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef

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Test output

CTEST_FULL_OUTPUT
Bye Bye...
Bye Bye...
 2  
    
 2  
    
 indpdb=          25  pdbref= T
 ns=           0
 Call Read_Bridge.
 ns=           0
 after etotal
 after hairpin
 after secondary
 Calling MINIM_DC
 SUMSL return code is           4  eval         2139
 # eval/s   395.977131739750     
 refstr= T
 after hairpin
 after secondary
 Processor           1  CG group           0  absolute rank           1 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
 Total wall clock time   5.45531105995178       sec
 Processor           0  BROADCAST time  5.235910415649414E-003  REDUCE time
  3.855299949645996E-002  GATHER time  0.000000000000000E+000  SCATTER time
  0.000000000000000E+000  SENDRECV  0.000000000000000E+000  BARRIER ene
  2.801418304443359E-003  BARRIER grad  2.966880798339844E-003
CG processor   0 is finishing work.
  8.801078796386719E-002  order[           1 ]  0.203078269958496       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 ]   1.20417833328247       order[
           8 ]  0.000000000000000E+000  order[           9 ]
  0.000000000000000E+000  order[          10 ]  0.000000000000000E+000
SUMSL return code 4
OK: absdiff= 1.0924, ene= -3.226007E+02