Execution Time0.35s

Test: UNRES_REGULAR (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2018-07-19 04:28:36
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.
--------------------------------------------------------------------------
 nodes            1  rank            0
 Processor            0  out of            1  rank in CG_COMM            0 
  size of CG_COMM            1  size of FG_COMM            1  rank in FG_COMM1 
            0  size of FG_COMM1            1
Inside initialize thetname_pdb 
 /tmp/cdash/homology/source/PARAM/thetaml.5parm                                                                                                                                                                                                                  
           51  opened
 MPI: node=             0  iseed=                  -3059742
 indpdb=           33  pdbref=  T
 Call Read_Bridge.
 ns=            0
 Processor            0            0            0  ivec_start            1 
  ivec_end           21
 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=   -48.98056663399675     
 Regularization: pass:            2
 Etot=   -50.27743080587651     
 Final minimization ... 
 Etot=   -50.31895418348830     
CG processor   0 is finishing work.
Warning: ieee_denorm is signaling
Warning: ieee_inexact is signaling
Bye Bye...
SUMSL return code 8
WARNING = SUMSL return code 8 is not 4
OK: absdiff= 2.434000, ene= -49.984000