2.45s
Test: UNRES_M_MIN_prota
(Failed)
Build: devel Linux-ifort-MPI-DFA NEWCORR
(dell15)
on 2020-05-03 04:10:14
Repository revision: 2bc0c5f06a45a86998d13adb237a1c84e46e12e8
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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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
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 628.638660267439
refstr= T
after hairpin
after secondary
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Total wall clock time 1.94558000564575 sec
Processor 1 wait times for respective orders order[ 0 ]
2.107548713684082E-002 order[ 1 ] 4.969286918640137E-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 ] 0.309975147247314 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
Processor 0 BROADCAST time 2.624750137329102E-003 REDUCE time
1.411771774291992E-002 GATHER time 0.000000000000000E+000 SCATTER time
0.000000000000000E+000 SENDRECV 0.000000000000000E+000 BARRIER ene
6.439661979675293E-002 BARRIER grad 1.807451248168945E-003
CG processor 0 is finishing work.
Bye Bye...
Bye Bye...
SUMSL return code 4
SUMSL return code 4
WARNING: energy is somewhat different 1.986, ene= 7.017454E+01
WARNING: energy is somewhat different 1.986, ene= 7.017454E+01