Execution Time152.76s

Test: UNRES_M_Berendsen (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2018-06-18 04:27:42
Repository revision: 3c77b1bf090338585c36fb7826934870ef256a08

Temperature distribution 1L2Y_B

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Test output
CTEST_FULL_OUTPUT
[dell15:142755] 1 more process has sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:142755] 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_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...
--------------------------------------------------------------------------
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.
 Total wall clock time    152.1998062133789       sec
 Processor            0  BROADCAST time   0.4254591464996338       REDUCE time 
    3.110300540924072       GATHER time    0.000000000000000       SCATTER time
    0.2975168228149414       SENDRECV    0.000000000000000       BARRIER ene 
 Processor            1  wait times for respective orders order[            0 ]
     0.000000000000000       order[            1 ]   0.5345880985260010      
   0.4375498294830322       BARRIER grad   0.3292508125305176     
CG processor   0 is finishing work.
  order[            2 ]    3.170623302459717       order[            3 ] 
    1.954906702041626       order[            4 ]    5.925639867782593      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]    1.945225238800049      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
Chi2 for fitting theoretical temperature distribution  0.0010539832