Saturday, September 21 2024 08:32:34
UNRES
1.09s| 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
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
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
ns= 0
Calling MINIM_DC
SUMSL return code is 4 eval 866
# eval/s 1042.23952069692
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 ]
1.812744140625000E-002 order[ 1 ] 3.304862976074219E-002 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 ] 0.182735204696655 order[
8 ] 0.000000000000000E+000 order[ 9 ]
Total wall clock time 0.941009998321533 sec
Processor 0 BROADCAST time 2.629280090332031E-003 REDUCE time
1.164054870605469E-002 GATHER time 0.000000000000000E+000 SCATTER time
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
0.000000000000000E+000 SENDRECV 0.000000000000000E+000 BARRIER ene
2.321720123291016E-003 BARRIER grad 1.709222793579102E-003
CG processor 0 is finishing work.
Bye Bye...
Bye Bye...
SUMSL return code 4
SUMSL return code 4
WARNING: energy is somewhat different 1.98513, ene= 7.017541E+01
WARNING: energy is somewhat different 1.98513, ene= 7.017541E+01
