Monday, September 23 2024 09:25:17
UNRES
1.17s| Exit Value | 1 |
|---|
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CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
2
2
indpdb= 25 pdbref= T
0.000000000000000E+000 0.000000000000000E+000
45 46 47
0.000000000000000E+000 0.000000000000000E+000
45 46 47
1.97500000000000 -2.01700000000000
1.97500000000000 -2.01700000000000
45 46 47
-0.872000000000000 -3.21600000000000
45 46 47
3.16900000000000 0.434000000000000
45 46 47
-0.872000000000000 -3.21600000000000
45 46 47
3.16900000000000 0.434000000000000
0.000000000000000E+000 0.000000000000000E+000
2 3 4
0.000000000000000E+000 0.000000000000000E+000
2 3 4
0.915000000000000 -1.55200000000000
2 3 4
0.915000000000000 -1.55200000000000
2 3 4
3.31600000000000 2.11600000000000
2 3 4
3.31600000000000 2.11600000000000
2 3 4
-1.55800000000000 2.75900000000000
-1.55800000000000 2.75900000000000
ns= 0
Call Read_Bridge.
ns= 0
Calling MINIM_DC
SUMSL return code is 4 eval 866
# eval/s 1029.09741990942
refstr= T
after hairpin
after secondary
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Processor 1 wait times for respective orders order[ 0 ]
2.013301849365234E-002 order[ 1 ] 3.257417678833008E-002 order[
2 ] 0.000000000000000E+000 order[ 3 ]
Total wall clock time 0.970746994018555 sec
Processor 0 BROADCAST time 2.256393432617188E-003 REDUCE time
1.034855842590332E-002 GATHER time 0.000000000000000E+000 SCATTER time
0.000000000000000E+000 SENDRECV 0.000000000000000E+000 BARRIER ene
2.086162567138672E-003 BARRIER grad 1.375198364257812E-003
CG processor 0 is finishing work.
0.000000000000000E+000 order[ 4 ] 0.000000000000000E+000 order[
5 ] 0.000000000000000E+000 order[ 6 ]
0.000000000000000E+000 order[ 7 ] 0.183724164962769 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
Bye Bye...
Bye Bye...
SUMSL return code 4
SUMSL return code 4
WARNING: energy is somewhat different 1.986, ene= 7.017454E+01
WARNING: energy is somewhat different 1.986, ene= 7.017454E+01
