CDash : UNRES

3.32s
Test: UNRES_M_MIN_prota (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2023-06-09 04:33:11
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6
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[dell15:188819] [[16674,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
[dell15:188819] [[16674,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
 thetname_pdb 
 /tmp/cdash/source/PARAM/thetaml.5parm                                                                                                                                                                                                                           
           51  opened
 thetname_pdb 
 /tmp/cdash/source/PARAM/thetaml.5parm                                                                                                                                                                                                                           
           51  opened
 MPI: node=             0  iseed=                  -3059742
 indpdb=           25  pdbref=  T
 Call Read_Bridge.
 ns=            0
 ns=            0
 after etotal
 Calling MINIM_DC
 SUMSL return code is            4  eval           760
 # eval/s    771.5935597909707     
 refstr=  T
 Processor            1  CG group            0  absolute rank            1 
  leves ERGASTULUM.
 Total wall clock time    1.840214686468244       sec
 Processor            1  wait times for respective orders order[            0 ]
    1.2476548552513123E-002  order[            1 ]   3.9403347298502922E-002 
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    0.000000000000000      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   0.3021632097661495      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
 Processor            0  BROADCAST time   2.3407449945807457E-002  REDUCE time 
   1.6391664743423462E-002  GATHER time    0.000000000000000       SCATTER time
     0.000000000000000       SENDRECV    0.000000000000000       BARRIER ene 
   5.9989513829350471E-003  BARRIER grad   1.4168480411171913E-003
CG processor   0 is finishing work.
Warning: ieee_invalid is signaling
Warning: ieee_invalid is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_divide_by_zero is signaling
Warning: ieee_inexact is signaling
Bye Bye...
SUMSL return code 4
SUMSL return code 4
OK: absdiff= .007400, ene= -154.954800
OK: absdiff= .007400, ene= -154.954800