12.70s
Test: UNRES_MD_microcanonical
(Passed)
Build: homology Linux-ifort-MPI E0LL2Y
(dell15)
on 2020-02-12 04:03:54
Repository revision: 855057911aaa7d3d083c300f4a9b1e7323f5d7da
Show Command Line/users/local/mpich2-1.4.1p1_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
0 size of FG_COMM1 2
Processor 1 out of 2 rank in FG_COMM 1
size of FG_COMM 2 rank in FG_COMM1 1 size of FG_COMM1
2
Inside initializeInside initialize thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
thetname_pdb
/tmp/cdash/homology/source/PARAM/thetaml.5parm
51 opened
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 12.6308009624481 sec
Processor 0 BROADCAST time 0.192568778991699 REDUCE time
0.399208545684814 order[ 1 ] 0.141386032104492 order[
2 ] 0.000000000000000E+000 order[ 3 ]
0.962384939193726 GATHER time 0.000000000000000E+000 SCATTER time
8.362507820129395E-002 SENDRECV 0.000000000000000E+000 BARRIER ene
9.310436248779297E-002 BARRIER grad 0.155282020568848
CG processor 0 is finishing work.
0.000000000000000E+000 order[ 4 ] 1.11245751380920 order[
5 ] 0.000000000000000E+000 order[ 6 ]
0.000000000000000E+000 order[ 7 ] 0.414145708084106 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000 order[
11 ] 0.000000000000000E+000 order[ 12 ]
0.000000000000000E+000
Bye Bye...
Bye Bye...
average total energy 74.2696
standard deviation 0.00323915
average total energy 74.2696
standard deviation 0.00323915