CDash : UNRES

40.12s
Test: UNRES_M_MD_microcanonical (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2020-02-17 05:29:33
Repository revision: 855057911aaa7d3d083c300f4a9b1e7323f5d7da
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--------------------------------------------------------------------------
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
[dell15:06395] 1 more process has sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:06395] 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    39.97545480728149       sec
 Processor            0  BROADCAST time   0.2226507663726807       REDUCE time 
   0.8422996997833252       GATHER time    0.000000000000000       SCATTER time
    8.6487770080566406E-002  SENDRECV    0.000000000000000       BARRIER ene 
   9.7709894180297852E-002  BARRIER grad   9.4468116760253906E-002
CG processor   0 is finishing work.
    0.6599681377410889       order[            1 ]   0.1477429866790771      
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    1.541538000106812      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   0.4154706001281738      
  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  74.6012
standard deviation  0.118575
average total energy  74.6012
standard deviation  0.118575