Execution Time40.37s

Test: UNRES_M_MD_microcanonical (Failed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2017-11-19 04:20:47
Repository revision: 2e4664425cf99771a8d398073b3c546df52e111b

Exit Value1

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Test output
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
--------------------------------------------------------------------------
The library attempted to open the following supporting CUDA libraries, 
but each of them failed.  CUDA-aware support is disabled.
libcuda.so.1: cannot open shared object file: No such file or directory
/usr/lib64/libcuda.so.1: cannot open shared object file: No such file or directory
If you are not interested in CUDA-aware support, then run with 
--mca mpi_cuda_support 0 to suppress this message.  If you are interested
in CUDA-aware support, then try setting LD_LIBRARY_PATH to the location
of libcuda.so.1 to get passed this issue.
--------------------------------------------------------------------------
 MPI: node=             0  iseed=                  -3059742
 indpdb=            0  pdbref=  T
 ns=            0
 Call Read_Bridge.
 ns=            0
[dell15:142626] 1 more process has sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:142626] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
 Processor            1  CG group            0  absolute rank            1 
  leves ERGASTULUM.
 Total wall clock time    40.19231390953064       sec
 Processor            0  BROADCAST time   0.2260215282440186       REDUCE time 
   0.8215894699096680       GATHER time    0.000000000000000       SCATTER time
    8.7496995925903320E-002  SENDRECV    0.000000000000000       BARRIER ene 
   0.1008841991424561       BARRIER grad   8.6790561676025391E-002
CG processor   0 is finishing work.
 Processor            1  wait times for respective orders order[            0 ]
    0.6392076015472412       order[            1 ]   0.1175959110260010      
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    1.539221763610840      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   0.4211716651916504      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
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...
average total energy  74.3525
standard deviation  0.15006
average total energy  74.3525
standard deviation  0.15006
difference  36.8255 from reference ave etot 37.527 greater than 5.0
difference  36.8255 from reference ave etot 37.527 greater than 5.0
-------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code.. Per user-direction, the job has been aborted.
-------------------------------------------------------
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:

  Process name: [[36243,1],1]
  Exit code:    1
--------------------------------------------------------------------------