Execution Time5.97s

Test: UNRES_M_ss_static_min (Failed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2018-01-19 04:20:16
Repository revision: 1845eb441493e1443732fcc6da5fa41873470995

Exit Value1

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Test output
CTEST_FULL_OUTPUT
[dell15:157823] 1 more process has sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:157823] 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.
--------------------------------------------------------------------------
 MPI: node=             1  iseed=                  -2222665
 indpdb=           25  pdbref=  T
 MPI: node=             0  iseed=                  -1111332
 Call Read_Bridge.
 ns=            4
 dc    6.010000000000000     
 dc    6.010000000000000         15.35800000000000      
  -0.6060000000000001     
 indpdb=           25  pdbref=  T
 Call Read_Bridge.
 ns=            4
 dc    6.010000000000000     
 dc    6.010000000000000         15.35800000000000      
  -0.6060000000000001     
 after etotal
 after hairpin
 after secondary
 Calling MINIM_DC
 after etotal
 after hairpin
 after secondary
 Calling MINIM_DC
 SUMSL return code is            4  eval          2166
 # eval/s    378.1383550312142     
 refstr=  T
 after hairpin
 after secondary
 SUMSL return code is            4  eval          2166
 # eval/s    377.6728119972817     
 refstr=  T
 after hairpin
 after secondary
CG processor   1 is finishing work.
CG processor   0 is finishing work.
initial energy=134.706 reference=134.8382
difference  .1322 from reference etot 134.8382 greater than 0.01