0.58s
Test: UNRES_M_MIN_prota
(Failed)
Build: devel Linux-ifort-MPI-5D NEWCORR
(dell15)
on 2020-03-31 05:32:48
Repository revision: df5ad6c769f328b01ef15673420b789f998f0d83
Show Command Line/users/local/mpich-3.3.1_intel/bin/mpiexec "-np" "2" "/tmp/cdash/devel/build/source/unres/src-HCD-5D/test_prota_E0LL2Y.sh" "prota_MIN_CART" "2"
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Show Failing/Passing Graph
Test outputCTEST_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
ns= 0
Call Read_Bridge.
ns= 0
Calling MINIM_DC
LBFGS return code isIterLimit eval 10003
# eval/s 32938.6378593618
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 ]
4.187107086181641E-003 order[ 1 ] 3.147125244140625E-004 order[
2 ] 0.000000000000000E+000 order[ 3 ]
0.000000000000000E+000 order[ 4 ] 0.000000000000000E+000 order[
Total wall clock time 0.386747837066650 sec
Processor 0 BROADCAST time 4.022121429443359E-004 REDUCE time
5 ] 0.000000000000000E+000 order[ 6 ]
0.000000000000000E+000 order[ 7 ] 0.157845258712769 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
2.121448516845703E-003 GATHER time 0.000000000000000E+000 SCATTER time
0.000000000000000E+000 SENDRECV 0.000000000000000E+000 BARRIER ene
1.223802566528320E-003 BARRIER grad 2.229213714599609E-004
CG processor 0 is finishing work.
Bye Bye...
Bye Bye...
SUMSL return code
ERROR = SUMSL return code is not 4
SUMSL return code
ERROR = SUMSL return code is not 4
WARNING: energy is somewhat different 2.188170, ene= 72.191170
WARNING: energy is somewhat different 2.188170, ene= 72.191170