Sunday, September 22 2024 11:28:47
UNRES
2.76s| 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
Call Read_Bridge.
ns= 0
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
Calling MINIM_DC
SUMSL return code is 4 eval 866
# eval/s 620.803605318282
refstr= T
after hairpin
after secondary
Processor 1 CG group 0 absolute rank 1
Total wall clock time 2.12246799468994 sec
Processor 0 BROADCAST time 2.588272094726562E-003 REDUCE time
1.456451416015625E-002 GATHER time 0.000000000000000E+000 SCATTER time
0.000000000000000E+000 SENDRECV 0.000000000000000E+000 BARRIER ene
7.792115211486816E-002 BARRIER grad 2.665996551513672E-003
CG processor 0 is finishing work.
leves ERGASTULUM.
Processor 1 wait times for respective orders order[ 0 ]
1.756143569946289E-002 order[ 1 ] 4.762029647827148E-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 ] 0.283286809921265 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
