0.22s
Test: UNRES_REGULAR
(Passed)
Build: prerelease-3.2.1 Linux-ifort-MPI-E0LL2Y
(miracle1.macierz)
on 2017-04-17 04:04:22
Repository revision: 589a8f3e38b7ce802f8577e862e54849030a5556
Show Command Line/users/local/mpich2-1.4.1p1_intel/bin/mpiexec "-np" "1" "/tmp/cdash/prerelease/build/source/unres/src_MD/test_prota_E0LL2Y.sh" "1l2y_MIN_REGULAR_INT" "1"
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Test outputCTEST_FULL_OUTPUT
Processor 0 out of 1 rank in CG_COMM 0
size of CG_COMM 1 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Inside initialize thetname_pdb
/tmp/cdash/prerelease/source/PARAM/thetaml.5parm
51 opened
MPI: node= 0 iseed= -3059742
indpdb= 33 pdbref= T
Call Read_Bridge.
ns= 0
Processor 0 0 0 ivec_start 1 ivec_end
21
Enter REGULARIZE: nnt= 2 nct= 21 nsup= 20
nstart_seq= 2 nstart_sup 2
Enter REGULARIZE: Initial RMS deviation: 0.00000
Regularization: pass: 1
Etot= 3.46290077430932
Regularization: pass: 2
Etot= -0.648672670570072
Final minimization ...
Etot= -5.07522959206433
CG processor 0 is finishing work.
Bye Bye...
SUMSL return code 4
OK: absdiff= 0, ene= -5.258893