Friday, November 01 2024 03:33:02
UNRES
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CTEST_FULL_OUTPUT
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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.
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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
