CDash : UNRES

0.28s

Test: UNRES_M_multi_ene1 (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2018-03-06 04:19:02
Repository revision: e26610dc1d9f408822f8530f2dca7a04fc36c637

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Test output

CTEST_FULL_OUTPUT
Warning: ieee_invalid is signaling
Warning: ieee_denorm 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=           23  pdbref=  T
 Call Read_Bridge.
 ns=            0
 dc    65.91700000000000     
 dc    65.91700000000000         122.6835000000000      
    48.08350000000000     
 after etotal
 after hairpin
 after secondary
 refstr=  T
CG processor   0 is finishing work.
OK: absdiff= 0, ene= 443.267400