CDash : UNRES

28.00s

Test: UNRES_M_multi_microcanonical (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2023-06-19 04:34:02
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6

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Test output

CTEST_FULL_OUTPUT
[dell15:114584] [[7978,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file ../../orte/util/show_help.c at line 513
[dell15:114584] [[7978,0],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                                                                                                                                                                                                                           
 thetname_pdb 
 /tmp/cdash/source/PARAM/thetaml.5parm                                                                                                                                                                                                                           
           51  opened
           51  opened
 MPI: node=             0  iseed=                  -3059742
 indpdb=           19  pdbref=  T
 Call Read_Bridge.
 ns=            0
 ns=            0
 Total wall clock time    27.62913114205003       sec
 Processor            1  CG group            0  absolute rank            1 
  leves ERGASTULUM.
 Processor            1  wait times for respective orders order[            0 ]
    0.2436396637931466       order[            1 ]   4.8575954511761665E-002 
 Processor            0  BROADCAST time   0.1193372476845980       REDUCE time 
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    1.027370375581086      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   0.5016501490026712      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
   0.3948573032394052       GATHER time    0.000000000000000       SCATTER time
    6.9399325177073479E-002  SENDRECV    0.000000000000000       BARRIER ene 
   2.4512048810720444E-002  BARRIER grad   5.7058330625295639E-002
CG processor   0 is finishing work.
average total energy  -173.628
standard deviation  0.00037058