18.72s
Test: UNRES_M_MD_microcanonical
(Failed)
Build: homology Linux-ifort-MPI E0LL2Y
(dell15)
on 2017-10-31 04:04:00
Repository revision: 2e4664425cf99771a8d398073b3c546df52e111b
Show Command Line/users/local/mpich2-1.4.1p1_intel/bin/mpiexec "-np" "2" "/tmp/cdash/homology/build/source/unres/src_MD-M/test_prota_E0LL2Y.sh" "1l2y_micro" "2"
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Test outputCTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
ns= 0
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= T
Call Read_Bridge.
ns= 0
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Processor 1 wait times for respective orders order[ 0 ]
Total wall clock time 18.6521790027618 sec
Processor 0 BROADCAST time 0.160166025161743 REDUCE time
1.14761686325073 GATHER time 0.000000000000000E+000 SCATTER time
9.052562713623047E-002 SENDRECV 0.000000000000000E+000 BARRIER ene
0.654312849044800 order[ 1 ] 0.123757600784302 order[
2 ] 0.000000000000000E+000 order[ 3 ]
0.104695320129395 BARRIER grad 0.100642442703247
CG processor 0 is finishing work.
0.000000000000000E+000 order[ 4 ] 1.42153406143188 order[
5 ] 0.000000000000000E+000 order[ 6 ]
0.000000000000000E+000 order[ 7 ] 0.499588727951050 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
Bye Bye...
Bye Bye...
average total energy 74.6458
average total energy 74.6458
standard deviation 0.526547
standard deviation 0.526547
difference 37.1188 from reference ave etot 37.527 greater than 5.0
difference 37.1188 from reference ave etot 37.527 greater than 5.0