Thursday, September 19 2024 09:23:47
UNRES
0.21s| Exit Value | 1 |
|---|
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2
2
ns= 0
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 0
after etotal
after hairpin
after secondary
Calling MINIM_DC
SUMSL return code is 4 eval 2
# eval/s 206.61087165340754
refstr= T
after hairpin
after secondary
Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM.
Total wall clock time 0.11932301521301270 sec
Processor 1 wait times for respective orders order[ 0 ] 8.4805488586425781E-004 order[ 1 ] 6.0134700169990685E-154 order[ 2 ] 6.0134700169990685E-154 order[ 3 ] 6.0134700169990685E-154 order[ 4 ] 6.0134700169990685E-154 order[ 5 ] 6.0134700169990685E-154 order[ 6 ] 6.9529444503664015E-310 order[ 7 ] 2.8879642486572266E-003 order[ 8 ] 6.9529444503664015E-310 order[ 9 ] 2.3265347850941222E-310 order[ 10 ] 6.0134700169990685E-154
Processor 0 BROADCAST time 1.5974044799804688E-005 REDUCE time 6.5326690673828125E-005 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 3.4093856811523438E-005 BARRIER grad 2.8610229492187500E-006
CG processor 0 is finishing work.
SUMSL return code 23
ERROR = SUMSL return code 23 is not 4
but not failing this test, it is known problem with esccor
(standard_in) 1: illegal character: \
(standard_in) 1: syntax error
(standard_in) 1: syntax error
./prota_unres_energy_check_mult.sh: line 315: [: -eq: unary operator expected
(standard_in) 1: syntax error
./prota_unres_energy_check_mult.sh: line 322: [: -eq: unary operator expected
WARNING: energy is somewhat different , ene= 10000000000000000000000000000000000000000000000000000000000000000000\
00000000000000000000000000000000.000000
