CDash : UNRES

24.86s

Test: UNRES_M_multi_microcanonical (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2023-03-05 04:09:01
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6

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Test output

CTEST_FULL_OUTPUT
[dell15:186299] [[30474,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
[dell15:186299] [[30474,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
Warning: ieee_invalid is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_inexact is signaling
Bye Bye...
 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=           19  pdbref=  T
 ns=            0
 Call Read_Bridge.
 ns=            0
 Processor            1  CG group            0  absolute rank            1 
  leves ERGASTULUM.
 Total wall clock time    24.53356972197071       sec
 Processor            0  BROADCAST time   0.1065407195128500       REDUCE time 
   0.3686753814108670       GATHER time    0.000000000000000       SCATTER time
    4.2560602072626352E-002  SENDRECV    0.000000000000000       BARRIER ene 
   5.1602979190647602E-002  BARRIER grad   2.7621950022876263E-002
CG processor   0 is finishing work.
 Processor            1  wait times for respective orders order[            0 ]
    0.1956696924753487       order[            1 ]   3.0061786063015461E-002 
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]   0.5640243515372276      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   0.4446258139796555      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
average total energy  -173.628
standard deviation  0.00037058