CTEST_FULL_OUTPUT
Warning: ieee_invalid is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_overflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_overflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
[dell15:124737] 1 more process has sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:124737] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
--------------------------------------------------------------------------
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.
--------------------------------------------------------------------------
Processor 0 out of 2 rank in CG_COMM 0
size of CG_COMM 2 size of FG_COMM 1 rank in FG_COMM1
Processor 1 out of 2 rank in CG_COMM 1
size of CG_COMM 2 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
0 size of FG_COMM1 1
Inside initializeInside initialize thetname_pdb
/tmp/cdash/source/PARAM/thetaml.5parm
51 opened
thetname_pdb
/tmp/cdash/source/PARAM/thetaml.5parm
51 opened
MPI: node= 1 iseed= -2222665
MPI: node= 0 iseed= -1111332
indpdb= 25 pdbref= T
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 4
Call Read_Bridge.
ns= 4
Processor 1 0 0 ivec_start 1
ivec_end 39
Processor 0 0 0 ivec_start 1
ivec_end 39
after etotal
after etotal
Calling MINIM_DC
Calling MINIM_DC
check_ecart before sumsl
check_ecart before sumsl
check_ecart
check_ecart
SUMSL return code is 8 eval 1076
# eval/s 970.3922369844133
refstr= T
SUMSL return code is 8 eval 1076
# eval/s 969.7214676362439
refstr= T
CG processor 0 is finishing work.
CG processor 1 is finishing work.
initial energy=134.838 reference=134.8382
SUMSL return code 20
ERROR = SUMSL return code 20 is not 4
but not failing this test, it is known problem with dissulfides
OK: absdiff= 3.598500, ene= -147.723300
1.34s
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