Tuesday, November 05 2024 21:00:29
UNRES
0.25s
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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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MPI: node= 0 iseed= -3059742
indpdb= 23 pdbref= T
0.000000000000000 0.000000000000000
45 46 47
1.975000000000001 -2.016999999999999
45 46 47
-0.8720000000000000 -3.216000000000000
45 46 47
3.169000000000000 0.4340000000000002
just before leave
0.000000000000000 0.000000000000000
2 3 4
0.9150000000000000 -1.552000000000000
2 3 4
3.316000000000000 2.116000000000000
2 3 4
-1.558000000000000 2.759000000000000
just before leave
Call Read_Bridge.
ns= 0
dc -1.852103699114891
dc -1.852103699114891 -0.2739970931617439
1.257978962626695
after etotal
after hairpin
after secondary
refstr= T
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...
OK: absdiff= 0, ene= -146.009100
