19.43s
Test: UNRES_M_MD_microcanonical
(Passed)
Build: Linux-ifort-MPI E0LL2Y
(dell15)
on 2024-02-01 03:49:34
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
51 opened
thetname_pdb
/tmp/cdash/source/PARAM/thetaml.5parm
51 opened
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 19.3447289466858 sec
Processor 0 BROADCAST time 0.225193500518799 REDUCE time
1.57916545867920 GATHER time 0.000000000000000E+000 SCATTER time
0.128847360610962 SENDRECV 0.000000000000000E+000 BARRIER ene
0.192771196365356 BARRIER grad 0.143573045730591
CG processor 0 is finishing work.
0.492492198944092 order[ 1 ] 0.149439573287964 order[
2 ] 0.000000000000000E+000 order[ 3 ]
0.000000000000000E+000 order[ 4 ] 1.80704760551453 order[
5 ] 0.000000000000000E+000 order[ 6 ]
0.000000000000000E+000 order[ 7 ] 0.944358587265015 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