Execution Time2.04s

Test: UNRES_M_MIN_prota (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2023-03-17 04:37:15
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a


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Test output
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[dell15:49566] [[24877,0],0] ORTE_ERROR_LOG: Data unpack would read past end of buffer in file ../../orte/util/show_help.c at line 507
--------------------------------------------------------------------------
WARNING: Linux kernel CMA support was requested via the
btl_vader_single_copy_mechanism MCA variable, but CMA support is
not available due to restrictive ptrace settings.

The vader shared memory BTL will fall back on another single-copy
mechanism if one is available. This may result in lower performance.

  Local host: dell15
--------------------------------------------------------------------------
 MPI: node=             0  iseed=                  -3059742
    0.000000000000000         0.000000000000000     
           45           46           47
    1.975000000000001        -2.016999999999999     
 indpdb=           25  pdbref=  T
           45           46           47
  -0.8720000000000000        -3.216000000000000     
           45           46           47
    3.169000000000000        0.4340000000000002     
 just before leave
    0.000000000000000         0.000000000000000     
            2            3            4
   0.9150000000000000        -1.552000000000000     
            2            3            4
    3.316000000000000         2.116000000000000     
            2            3            4
   -1.558000000000000         2.759000000000000     
 just before leave
    0.000000000000000         0.000000000000000     
           45           46           47
    1.975000000000001        -2.016999999999999     
           45           46           47
  -0.8720000000000000        -3.216000000000000     
           45           46           47
    3.169000000000000        0.4340000000000002     
 just before leave
    0.000000000000000         0.000000000000000     
            2            3            4
   0.9150000000000000        -1.552000000000000     
            2            3            4
    3.316000000000000         2.116000000000000     
            2            3            4
   -1.558000000000000         2.759000000000000     
 just before leave
 ns=            0
 Call Read_Bridge.
 ns=            0
 dc   -1.852103699114891     
 dc   -1.852103699114891       -0.2739970931617439      
    1.257978962626695     
 after etotal
 after hairpin
 after secondary
 Calling MINIM_DC
 SUMSL return code is            8  eval           974
 # eval/s    662.2892781479280     
 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 ]
    1.7847119481302798E-002  order[            1 ]   4.4629096286371350E-002 
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    0.000000000000000      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   0.2914757190737873      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
 Total wall clock time    1.598243857035413       sec
 Processor            0  BROADCAST time   1.1673833127133548E-002  REDUCE time 
   1.9909485359676182E-002  GATHER time    0.000000000000000       SCATTER time
     0.000000000000000       SENDRECV    0.000000000000000       BARRIER ene 
   3.3065062016248703E-003  BARRIER grad   1.8923121970146894E-003
CG processor   0 is finishing work.
Warning: ieee_invalid is signaling
Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow 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...
SUMSL return code 8
ERROR = SUMSL return code 8 is not 4
SUMSL return code 8
ERROR = SUMSL return code 8 is not 4
OK: absdiff= .074000, ene= -158.806100
OK: absdiff= .074000, ene= -158.806100