Execution Time153.12s

Test: UNRES_M_Berendsen (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2019-12-16 04:27:10
Repository revision: 855057911aaa7d3d083c300f4a9b1e7323f5d7da

Temperature distribution 1L2Y_B

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Test output
CTEST_FULL_OUTPUT
[dell15:98282] 1 more process has sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:98282] 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    152.5460031032562       sec
 Processor            0  BROADCAST time   0.4185788631439209       REDUCE time 
    3.111926555633545       GATHER time    0.000000000000000       SCATTER time
    0.3866257667541504       SENDRECV    0.000000000000000       BARRIER ene 
   0.4419436454772949       BARRIER grad   0.3038508892059326     
CG processor   0 is finishing work.
     0.000000000000000       order[            1 ]   0.5863051414489746      
  order[            2 ]    3.298084497451782       order[            3 ] 
    2.020141839981079       order[            4 ]    6.002039670944214      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]    1.985389709472656      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000     
Chi2 for fitting theoretical temperature distribution  0.0010539832