Sunday, September 22 2024 11:29:27
UNRES
1.84s
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CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
2
2
0.000000000000000E+000 0.000000000000000E+000
45 46 47
1.97500000000000 -2.01700000000000
45 46 47
-0.872000000000000 -3.21600000000000
45 46 47
3.16900000000000 0.434000000000000
0.000000000000000E+000 0.000000000000000E+000
2 3 4
0.915000000000000 -1.55200000000000
2 3 4
3.31600000000000 2.11600000000000
2 3 4
-1.55800000000000 2.75900000000000
ns= 0
indpdb= 25 pdbref= T
0.000000000000000E+000 0.000000000000000E+000
45 46 47
1.97500000000000 -2.01700000000000
45 46 47
-0.872000000000000 -3.21600000000000
45 46 47
3.16900000000000 0.434000000000000
0.000000000000000E+000 0.000000000000000E+000
2 3 4
0.915000000000000 -1.55200000000000
2 3 4
3.31600000000000 2.11600000000000
2 3 4
-1.55800000000000 2.75900000000000
Call Read_Bridge.
ns= 0
Calling MINIM_DC
LBFGS return code isIterLimit eval 10003
# eval/s 25075.0794358116
refstr= T
after hairpin
after secondary
Processor 1 CG group 0 absolute rank 1
Total wall clock time 1.36986684799194 sec
Processor 0 BROADCAST time 8.134841918945312E-004 REDUCE time
3.850221633911133E-003 GATHER time 0.000000000000000E+000 SCATTER time
0.000000000000000E+000 SENDRECV 0.000000000000000E+000 BARRIER ene
1.910400390625000E-002 BARRIER grad 9.038448333740234E-004
CG processor 0 is finishing work.
leves ERGASTULUM.
Processor 1 wait times for respective orders order[ 0 ]
4.460096359252930E-003 order[ 1 ] 4.851818084716797E-004 order[
2 ] 0.000000000000000E+000 order[ 3 ]
0.000000000000000E+000 order[ 4 ] 0.000000000000000E+000 order[
5 ] 0.000000000000000E+000 order[ 6 ]
0.000000000000000E+000 order[ 7 ] 0.205218553543091 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
Bye Bye...
Bye Bye...
SUMSL return code
ERROR = SUMSL return code is not 4
SUMSL return code
ERROR = SUMSL return code is not 4
OK: absdiff= 0, ene= 7.216054E+01
OK: absdiff= 0, ene= 7.216054E+01
