1.06s
Test: UNRES_M_MIN_prota
(Failed)
Build: devel Linux-ifort-MPI-DFA_no5D NEWCORR
(dell15)
on 2023-05-13 05:38:11
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef
Show Command Line/users/local/mpich-3.3.1_intel/bin/mpiexec "-np" "2" "/tmp/cdash/devel/build/source/unres/src_MD-M-SAXS-homology/test_prota_E0LL2Y.sh" "prota_MIN_CART" "2"
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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
after etotal
after hairpin
after secondary
Calling MINIM_DC
SUMSL return code is 4 eval 898
# eval/s 1160.46312476238
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 ]
Total wall clock time 0.805166959762573 sec
Processor 0 BROADCAST time 2.335786819458008E-003 REDUCE time
1.082706451416016E-002 GATHER time 0.000000000000000E+000 SCATTER time
0.000000000000000E+000 SENDRECV 0.000000000000000E+000 BARRIER ene
7.308435440063477E-002 BARRIER grad 2.147912979125977E-003
CG processor 0 is finishing work.
1.773571968078613E-002 order[ 1 ] 3.657627105712891E-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 ] 0.215147733688354 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 2.15732, ene= 7.000322E+01
WARNING: energy is somewhat different 2.15732, ene= 7.000322E+01