Execution Time0.26s

Test: UNRES_M_ENE1_prota (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2018-07-17 04:27:59
Repository revision: 11a30d63a53082c984f22fcf36766666cbec2cc1


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Test 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.
--------------------------------------------------------------------------
 MPI: node=             0  iseed=                  -3059742
 indpdb=           23  pdbref=  T
    0.000000000000000         0.000000000000000     
           45           46           47
    1.975000000000001        -2.016999999999999     
           45           46           47
  -0.8720000000000000        -3.216000000000000     
           45           46           47
    3.169000000000000        0.4340000000000002     
 just before leave
    0.000000000000000         0.000000000000000     
            2            3            4
   0.9150000000000000        -1.552000000000000     
            2            3            4
    3.316000000000000         2.116000000000000     
            2            3            4
   -1.558000000000000         2.759000000000000     
 just before leave
 Call Read_Bridge.
 ns=            0
 dc   -1.937654588194873     
 dc   -1.937654588194873        -1.719968594671886      
    1.386573293883002     
 after etotal
 after hairpin
 after secondary
 refstr=  T
CG processor   0 is finishing work.
Warning: ieee_invalid is signaling
Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_inexact is signaling
Bye Bye...
OK: absdiff= 0, ene= -145.174200