Sunday, September 29 2024 18:41:03
UNRES
11.58s| Exit Value | 2 |
|---|
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STOP Bye Bye...
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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 239.15593324855797
refstr= T
after hairpin
after secondary
Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM.
Total wall clock time 11.512029886245728 sec
Processor 1 wait times for respective orders order[ 0 ] 0.11309027671813965 order[ 1 ] 0.52691578865051270 order[ 2 ] 6.0134700169990685E-154 order[ 3 ] 6.0134700169990685E-154 order[ 4 ] 6.0134700169990685E-154 order[ 5 ] 6.0134700169990685E-154 order[ 6 ] 6.9525817367807551E-310 order[ 7 ] 2.4309744834899902 order[ 8 ] 6.9525817367807551E-310 order[ 9 ] 2.3636253035193380E-310 order[ 10 ] 6.0134700169990685E-154
Processor 0 BROADCAST time 8.4409713745117188E-003 REDUCE time 6.6746234893798828E-002 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 5.2468776702880859E-003 BARRIER grad 3.2038688659667969E-003
CG processor 0 is finishing work.
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 16.141400, ene= -339.834500
