23.76s
Test: UNRES_M_MD_microcanonical
(Passed)
Build: Linux-ifort-MPI E0LL2Y
(dell15)
on 2023-07-22 03:42:41
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6
Show Command Line/users/local/mpich2-1.4.1p1_intel/bin/mpiexec "-np" "2" "/tmp/cdash/build/source/unres/src_MD-M/test_prota_E0LL2Y.sh" "1l2y_micro" "2"
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Test outputCTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
thetname_pdb
/tmp/cdash/source/PARAM/thetaml.5parm
thetname_pdb
/tmp/cdash/source/PARAM/thetaml.5parm
51 opened
51 opened
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.
Processor 1 wait times for respective orders order[ 0 ]
Total wall clock time 23.6652271747589 sec
Processor 0 BROADCAST time 0.145966768264771 REDUCE time
1.02170062065125 GATHER time 0.000000000000000E+000 SCATTER time
7.713937759399414E-002 SENDRECV 0.000000000000000E+000 BARRIER ene
0.368674516677856 order[ 1 ] 0.103343963623047 order[
2 ] 0.000000000000000E+000 order[ 3 ]
0.000000000000000E+000 order[ 4 ] 1.14567518234253 order[
5 ] 0.000000000000000E+000 order[ 6 ]
7.710766792297363E-002 BARRIER grad 0.109528064727783
CG processor 0 is finishing work.
0.000000000000000E+000 order[ 7 ] 11.9407789707184 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
Bye Bye...
Bye Bye...
average total energy 74.2564
standard deviation 0.0417769
average total energy 74.2564
standard deviation 0.0417769