Execution Time39.97s

Test: UNRES_M_MD_microcanonical (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2020-03-06 04:27:02
Repository revision: 86a7a0fff3fb6d1c18791c4d2723ee3173d2cf65


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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
[dell15:141333] 1 more process has sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:141333] 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.
 Processor            1  wait times for respective orders order[            0 ]
 Total wall clock time    39.81869888305664       sec
 Processor            0  BROADCAST time   0.2368488311767578       REDUCE time 
   0.8090252876281738       GATHER time    0.000000000000000       SCATTER time
    7.6753854751586914E-002  SENDRECV    0.000000000000000       BARRIER ene 
    0.6234128475189209       order[            1 ]   0.1168382167816162      
   9.8117828369140625E-002  BARRIER grad   8.9646339416503906E-002
CG processor   0 is finishing work.
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    1.553568363189697      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   0.4139151573181152      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
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_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
average total energy  74.6012
standard deviation  0.118575
average total energy  74.6012
standard deviation  0.118575