18.19s
Test: UNRES_MD_microcanonical
(Passed)
Build: Linux-ifort-MPI E0LL2Y
(dell15)
on 2024-01-18 03:54:19
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6
Show Command Line/users/local/mpich2-1.4.1p1_intel/bin/mpiexec "-np" "2" "/tmp/cdash/build/source/unres/src_MD/test_prota_E0LL2Y.sh" "1l2y_micro" "2"
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Test outputCTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
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
size of FG_COMM 2 rank in FG_COMM1 1 size of FG_COMM1
2
0 size of FG_COMM1 2
Inside initializeInside initialize thetname_pdb
/tmp/cdash/source/PARAM/thetaml.5parm
51 opened
thetname_pdb
/tmp/cdash/source/PARAM/thetaml.5parm
51 opened
ns= 0
Processor 1 1 1 ivec_start 11 ivec_end
21
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= T
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 18.0982410907745 sec
Processor 0 BROADCAST time 0.150552272796631 REDUCE time
0.281594038009644 order[ 1 ] 9.174942970275879E-002 order[
0.897209405899048 GATHER time 0.000000000000000E+000 SCATTER time
9.619617462158203E-002 SENDRECV 0.000000000000000E+000 BARRIER ene
0.302934169769287 BARRIER grad 0.161565542221069
CG processor 0 is finishing work.
2 ] 0.000000000000000E+000 order[ 3 ]
0.000000000000000E+000 order[ 4 ] 1.34163308143616 order[
5 ] 0.000000000000000E+000 order[ 6 ]
0.000000000000000E+000 order[ 7 ] 0.453677892684937 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
Bye Bye...
Bye Bye...
average total energy 74.2623
standard deviation 0.0221204
average total energy 74.2623
standard deviation 0.0221204