Execution Time159.28s

Test: UNRES_M_Berendsen (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2018-07-18 04:31:50
Repository revision: 11a30d63a53082c984f22fcf36766666cbec2cc1

Temperature distribution 1L2Y_B

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Test output
CTEST_FULL_OUTPUT
[dell15:41652] 1 more process has sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:41652] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
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_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_inexact is signaling
Bye Bye...
--------------------------------------------------------------------------
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
 Processor            1  CG group            0  absolute rank            1 
  leves ERGASTULUM.
 Processor            1  wait times for respective orders order[            0 ]
 Total wall clock time    158.5835080146790       sec
 Processor            0  BROADCAST time   0.4317820072174072       REDUCE time 
    3.301614522933960       GATHER time    0.000000000000000       SCATTER time
    0.3485105037689209       SENDRECV    0.000000000000000       BARRIER ene 
    1.549586534500122       BARRIER grad   0.3747715950012207     
CG processor   0 is finishing work.
     0.000000000000000       order[            1 ]   0.5715479850769043      
  order[            2 ]    3.262629747390747       order[            3 ] 
    2.001543045043945       order[            4 ]    6.364450216293335      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]    2.144515275955200      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
Chi2 for fitting theoretical temperature distribution  0.0010539832