Tuesday, September 17 2024 21:02:44
UNRES
0.61s
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CTEST_FULL_OUTPUT
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WARNING: Linux kernel CMA support was requested via the
btl_vader_single_copy_mechanism MCA variable, but CMA support is
not available due to restrictive ptrace settings.
The vader shared memory BTL will fall back on another single-copy
mechanism if one is available. This may result in lower performance.
Local host: dell15
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Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
[dell15:150033] 1 more process has sent help message help-btl-vader.txt / cma-permission-denied
[dell15:150033] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
1
1
indpdb= 25 pdbref= T
indpdb= 25 pdbref= T
Call Read_Bridge.
Call Read_Bridge.
ns= 4
ns= 4
after etotal
after etotal
after hairpin
after hairpin
after secondary
Calling MINIM_DC
after secondary
Calling MINIM_DC
SUMSL return code is 8 eval 354
# eval/s 1253.644911746183
refstr= T
after hairpin
after secondary
SUMSL return code is 8 eval 354
# eval/s 1228.500772035992
refstr= T
after hairpin
after secondary
CG processor 1 is finishing work.
CG processor 0 is finishing work.
initial energy=253.914 reference=253.914
SUMSL return code 8
ERROR = SUMSL return code 8 is not 4
but not failing this test, it is known problem with dissulfides
OK: absdiff= .402080, ene= 47.463980
