Execution Time25.08s

Test: UNRES_MD_microcanonical (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2017-10-20 04:21:20
Repository revision: 2e4664425cf99771a8d398073b3c546df52e111b


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Test output
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
--------------------------------------------------------------------------
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            1
 nodes            2  rank            0
 Processor            0  out of            2  rank in CG_COMM            0 
  size of CG_COMM            1  size of FG_COMM            2  rank in FG_COMM1 
 Processor            1  out of            2  rank in FG_COMM            1 
  size of FG_COMM            2  rank in FG_COMM1            1  size of FG_COMM1
            0  size of FG_COMM1            2
             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
[dell15:132309] 1 more process has sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:132309] 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.
 Total wall clock time    24.55120491981506       sec
 Processor            0  BROADCAST time   0.3541734218597412       REDUCE time 
   0.7690894603729248       GATHER time    0.000000000000000       SCATTER time
    0.1253993511199951       SENDRECV    0.000000000000000       BARRIER ene 
 Processor            1  wait times for respective orders order[            0 ]
     1.125388145446777       order[            1 ]   0.1829025745391846      
   9.7638845443725586E-002  BARRIER grad   8.4611177444458008E-002
CG processor   0 is finishing work.
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    2.548892736434937      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   0.7067906856536865      
  order[            8 ]    0.000000000000000       order[            9 ] 
    0.000000000000000       order[           10 ]    0.000000000000000      
  order[           11 ]    0.000000000000000       order[           12 ] 
    0.000000000000000     
Warning: ieee_invalid is signaling
Warning: ieee_divide_by_zero 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  74.2967
standard deviation  0.0294284
average total energy  74.2967
standard deviation  0.0294284