Execution Time0.27s

Test: UNRES_M_REGULAR (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2020-03-09 04:41:38
Repository revision: c844b7d5a2e7835de404e9fd038218924794d709


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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=           33  pdbref=  T
 Call Read_Bridge.
 ns=            0
 Enter REGULARIZE: nnt=            2  nct=           21  nsup=           20 
  nstart_seq=            2  nstart_sup            2
Enter REGULARIZE: Initial RMS deviation:   0.00000
 Regularization: pass:            1
 Etot=    12.82835958251209     
 Regularization: pass:            2
 Etot=    12.82835958251209     
 Final minimization ... 
 Etot=    12.82835958251209     
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...
SUMSL return code 3
WARNING = SUMSL return code 3 is not 4
OK: absdiff= 3.342792, ene= 9.892792