12.20s
Test: UNRES_MD_microcanonical
(Passed)
Build: homology Linux-ifort-MPI E0LL2Y
(dell15)
on 2023-05-30 04:13:34
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a
Show Command Line/users/local/mpich-3.3.1_intel/bin/mpiexec "-np" "2" "/tmp/cdash/homology/build/source/unres/src_MD/test_prota_E0LL2Y.sh" "1l2y_micro" "2"
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Test outputCTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
nodes 2 rank 0
nodes 2 rank 1
Processor 0 out of 2 rank in CG_COMM 0
size of CG_COMM 1 size of FG_COMM 2 rank in FG_COMM1
Processor 1 out of 2 rank in FG_COMM 1
0 size of FG_COMM1 2
size of FG_COMM 2 rank in FG_COMM1 1 size of FG_COMM1
2
Inside initializeInside initialize thetname_pdb
thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
51 opened
/tmp/cdash/homology/source/PARAM/thetaml.5parm
51 opened
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= T
ns= 0
Processor 1 1 1 ivec_start 11 ivec_end
21
Call Read_Bridge.
ns= 0
Processor 0 0 0 ivec_start 1 ivec_end
10
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Processor 1 wait times for respective orders order[ 0 ]
Total wall clock time 11.7995522022247 sec
Processor 0 BROADCAST time 0.176280260086060 REDUCE time
0.655370473861694 GATHER time 0.000000000000000E+000 SCATTER time
8.349847793579102E-002 SENDRECV 0.000000000000000E+000 BARRIER ene
0.108392715454102 BARRIER grad 0.105424880981445
CG processor 0 is finishing work.
0.454097986221313 order[ 1 ] 0.106443643569946 order[
2 ] 0.000000000000000E+000 order[ 3 ]
0.000000000000000E+000 order[ 4 ] 1.04960036277771 order[
5 ] 0.000000000000000E+000 order[ 6 ]
0.000000000000000E+000 order[ 7 ] 0.380708932876587 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000 order[
11 ] 0.000000000000000E+000 order[ 12 ]
2.42879253145880
Bye Bye...
Bye Bye...
average total energy 74.2704
standard deviation 0.000590071
average total energy 74.2704
standard deviation 0.000590071
