Execution Time18.88s

Test: UNRES_MD_microcanonical (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2018-07-04 04:35:26
Repository revision: 4a5964cdc6b84e3073a4155bf997640cf45b6993


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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            1  out of            2  rank in FG_COMM            1 
  size of FG_COMM            2  rank in FG_COMM1            1  size of FG_COMM1
 Processor            0  out of            2  rank in CG_COMM            0 
  size of CG_COMM            1  size of FG_COMM            2  rank in FG_COMM1 
             2
            0  size of FG_COMM1            2
Inside initializeInside initialize thetname_pdb 
 /tmp/cdash/homology/source/PARAM/thetaml.5parm                                                                                                                                                                                                                  
           51  opened
 thetname_pdb 
 /tmp/cdash/homology/source/PARAM/thetaml.5parm                                                                                                                                                                                                                  
           51  opened
 MPI: node=             0  iseed=                  -3059742
 indpdb=            0  pdbref=  T
 Call Read_Bridge.
 ns=            0
 Processor            0            0            0  ivec_start            1 
  ivec_end           10
 ns=            0
 Processor            1            1            1  ivec_start           11 
  ivec_end           21
[dell15:137903] 1 more process has sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:137903] 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.
 Processor            1  wait times for respective orders order[            0 ]
 Total wall clock time    18.64613389968872       sec
 Processor            0  BROADCAST time   0.2682700157165527       REDUCE time 
   0.6245982646942139       GATHER time    0.000000000000000       SCATTER time
    0.1078898906707764       SENDRECV    0.000000000000000       BARRIER ene 
   0.1138553619384766       BARRIER grad   8.3949327468872070E-002
CG processor   0 is finishing work.
    0.6851704120635986       order[            1 ]   0.1585955619812012      
  order[            2 ]    0.000000000000000       order[            3 ] 
    0.000000000000000       order[            4 ]    1.820710897445679      
  order[            5 ]    0.000000000000000       order[            6 ] 
    0.000000000000000       order[            7 ]   0.5251011848449707      
  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  74.2707
standard deviation  0.000532825
average total energy  74.2707
standard deviation  0.000532825