Sunday, September 29 2024 18:50:06
UNRES
5.48s| Exit Value | 2 |
|---|---|
| Processors | [Graph]1 |
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CTEST_FULL_OUTPUT
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
STOP Bye Bye...
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
STOP Bye Bye...
2
2
JESTEM
JESTEM
JESTEM
JESTEM
JESTEM
JESTEM
indpdb= 25 pdbref= T
ns= 0
Call Read_Bridge.
ns= 0
after etotal
after hairpin
after secondary
Calling MINIM_DC
SUMSL return code is 4 eval 2737
# eval/s 511.93269061825902
refstr= T
after hairpin
after secondary
Total wall clock time 5.3852128982543945 sec
Processor 0 BROADCAST time 4.3613910675048828E-003 REDUCE time 3.3025026321411133E-002 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 2.7704238891601562E-003 BARRIER grad 1.8885135650634766E-003
CG processor 0 is finishing work.
Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM.
Processor 1 wait times for respective orders order[ 0 ] 3.5308837890625000E-002 order[ 1 ] 0.35811424255371094 order[ 2 ] 6.0134700169990685E-154 order[ 3 ] 6.0134700169990685E-154 order[ 4 ] 6.0134700169990685E-154 order[ 5 ] 1.1201372392535074E-310 order[ 6 ] 6.0134700169990685E-154 order[ 7 ] 1.4929382801055908 order[ 8 ] 4.9406564584124654E-324 order[ 9 ] 1.1201372393140304E-310 order[ 10 ] 4.6823987512641430E-310
SUMSL return code 21
ERROR = SUMSL return code 21 is not 4
but not failing this test, it is known problem with esccor
CRITICAL: energy is loo large 16.141500, ene= -339.834600
