Execution Time54.71s

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

Temperature distribution 1L2Y_B

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Test output
CTEST_FULL_OUTPUT
[dell15:140683] 1 more process has sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:140683] 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_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.
--------------------------------------------------------------------------
 nodes            2  rank            0
 nodes            2  rank            1
 Processor            0  out of            2  rank in CG_COMM            0 
  size of CG_COMM            1  size of FG_COMM            2  rank in FG_COMM1 
            0  size of FG_COMM1            2
 Processor            1  out of            2  rank in FG_COMM            1 
  size of FG_COMM            2  rank in FG_COMM1            1  size of FG_COMM1
             2
Inside initializeInside initialize thetname_pdb 
 /tmp/cdash/homology/source/PARAM/thetaml.5parm                                                                                                                                                                                                                  
 thetname_pdb 
 /tmp/cdash/homology/source/PARAM/thetaml.5parm                                                                                                                                                                                                                  
           51  opened
           51  opened
 MPI: node=             0  iseed=                  -3059742
 indpdb=            0  pdbref=  T
 ns=            0
 Call Read_Bridge.
 ns=            0
 Processor            1            1            1  ivec_start           11 
  ivec_end           21
 Processor            0            0            0  ivec_start            1 
  ivec_end           10
 Total wall clock time    54.13203191757202       sec
 Processor            0  BROADCAST time   0.3862946033477783       REDUCE time 
    2.202903270721436       GATHER time    0.000000000000000       SCATTER time
    0.3076250553131104       SENDRECV    0.000000000000000       BARRIER ene 
 Processor            1  CG group            0  absolute rank            1 
  leves ERGASTULUM.
   0.7993080615997314       BARRIER grad   0.3236258029937744     
CG processor   0 is finishing work.
 Processor            1  wait times for respective orders order[            0 ]
     0.000000000000000       order[            1 ]   0.5071914196014404      
  order[            2 ]    2.667364835739136       order[            3 ] 
    1.496586561203003       order[            4 ]    5.611832380294800      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]    1.899784564971924      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000      
  order[           11 ]    0.000000000000000       order[           12 ] 
    0.000000000000000     
Chi2 for fitting theoretical temperature distribution  0.0009689193