Wednesday, September 18 2024 01:22:53
UNRES
17.88s
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CTEST_FULL_OUTPUT
[dell15:118587] 1 more process has sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:118587] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
Warning: ieee_invalid is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid 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.
--------------------------------------------------------------------------
thetname_pdb
/tmp/cdash/source/PARAM/thetaml.5parm
51 opened
thetname_pdb
/tmp/cdash/source/PARAM/thetaml.5parm
51 opened
MPI: node= 0 iseed= -3059742
indpdb= 19 pdbref= T
ns= 0
Call Read_Bridge.
ns= 0
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Total wall clock time 17.69078993797302 sec
Processor 0 BROADCAST time 3.9264917373657227E-002 REDUCE time
0.1396558284759521 GATHER time 0.000000000000000 SCATTER time
1.3275861740112305E-002 SENDRECV 0.000000000000000 BARRIER ene
1.3692378997802734E-002 BARRIER grad 1.0580062866210938E-002
CG processor 0 is finishing work.
Processor 1 wait times for respective orders order[ 0 ]
0.1457858085632324 order[ 1 ] 1.4520883560180664E-002
order[ 2 ] 0.000000000000000 order[ 3 ]
0.000000000000000 order[ 4 ] 0.5575723648071289
order[ 5 ] 0.000000000000000 order[ 6 ]
0.000000000000000 order[ 7 ] 0.2477784156799316
order[ 8 ] 0.000000000000000 order[ 9 ]
0.000000000000000 order[ 10 ] 0.000000000000000
average total energy -173.474
standard deviation 0.000494815
