24.83s
Test: UNRES_M_MD_microcanonical
(Failed)
Build: homology Linux-gfortan-MPI E0LL2Y
(dell15)
on 2017-10-12 03:25:12
Repository revision: 2e4664425cf99771a8d398073b3c546df52e111b
Show Command Line/users/local/mpich2-1.4.1p1_gnu/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
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= T
ns= 0
Call Read_Bridge.
ns= 0
Processor 1 CG group 0 absolute rank 1 leves ERGASTULUM.
Total wall clock time 24.765259027481079 sec
Processor 1 wait times for respective orders order[ 0 ] 0.45470881462097168 order[ 1 ] 0.11809754371643066 order[ 2 ] 0.0000000000000000 order[ 3 ] 0.0000000000000000 order[ 4 ] 2.2392508983612061 order[ 5 ] 0.0000000000000000 order[ 6 ] 0.0000000000000000 order[ 7 ] 0.45218396186828613 order[ 8 ] 2.34430546690629001E-310 order[ 9 ] 2.05956832588752253E-316 order[ 10 ] 6.95321950943620086E-310
Processor 0 BROADCAST time 0.16979980468750000 REDUCE time 1.1690168380737305 GATHER time 0.0000000000000000 SCATTER time 0.10054969787597656 SENDRECV 0.0000000000000000 BARRIER ene 9.71336364746093750E-002 BARRIER grad 0.11454606056213379
CG processor 0 is finishing work.
STOP Bye Bye...
STOP Bye Bye...
average total energy 74.3154
standard deviation 0.0598498
average total energy 74.3154
standard deviation 0.0598498
difference 36.7884 from reference ave etot 37.527 greater than 5.0
difference 36.7884 from reference ave etot 37.527 greater than 5.0