CDash : UNRES

6.09s

Test: UNRES_M_multi_min (Failed)
Build: devel Linux-ifort-MPI-DFA_no5D NEWCORR (dell15) on 2024-03-31 05:21:10
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef

Exit Value	2

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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         2569
 # eval/s   433.554522891405     
 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 ]
  9.887123107910156E-002  order[           1 ]  0.242864847183228       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 ]   1.44915032386780       order[
           8 ]  0.000000000000000E+000  order[           9 ]
  0.000000000000000E+000  order[          10 ]  0.000000000000000E+000
 Total wall clock time   5.95699596405029       sec
 Processor           0  BROADCAST time  6.309270858764648E-003  REDUCE time
  4.075264930725098E-002  GATHER time  0.000000000000000E+000  SCATTER time
  0.000000000000000E+000  SENDRECV  0.000000000000000E+000  BARRIER ene
  0.168720006942749       BARRIER grad  3.332376480102539E-003
CG processor   0 is finishing work.
SUMSL return code 4
CRITICAL: energy is loo large 46.2729, ene= 1.080871E+02