Monday, November 04 2024 22:45:59
UNRES
28.76s
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CTEST_FULL_OUTPUT
[dell15:164845] 1 more process has sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:164845] 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.
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thetname_pdb
thetname_pdb
/tmp/cdash/source/PARAM/thetaml.5parm
/tmp/cdash/source/PARAM/thetaml.5parm
51 opened
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 28.60365891456604 sec
Processor 0 BROADCAST time 6.8163156509399414E-002 REDUCE time
0.2168121337890625 GATHER time 0.000000000000000 SCATTER time
2.3881912231445313E-002 SENDRECV 0.000000000000000 BARRIER ene
2.1557331085205078E-002 BARRIER grad 1.6029357910156250E-002
CG processor 0 is finishing work.
Processor 1 wait times for respective orders order[ 0 ]
0.2354650497436523 order[ 1 ] 2.9586076736450195E-002
order[ 2 ] 0.000000000000000 order[ 3 ]
0.000000000000000 order[ 4 ] 0.8551001548767090
order[ 5 ] 0.000000000000000 order[ 6 ]
0.000000000000000 order[ 7 ] 0.3777956962585449
order[ 8 ] 0.000000000000000 order[ 9 ]
0.000000000000000 order[ 10 ] 0.000000000000000
average total energy -173.474
standard deviation 0.000494815
