0.26s
Test: UNRES_REGULAR
(Passed)
Build: homology Linux-ifort-MPI E0LL2Y
(dell15)
on 2018-07-25 04:04:17
Repository revision: ecdaefb55cd2370287e648c14fb657d5c7ad5145
Show Command Line/users/local/mpich2-1.4.1p1_intel/bin/mpiexec "-np" "1" "/tmp/cdash/homology/build/source/unres/src_MD/test_prota_E0LL2Y.sh" "1l2y_MIN_REGULAR_INT" "1"
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Test outputCTEST_FULL_OUTPUT
nodes 1 rank 0
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/homology/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= -49.0284392553272
Regularization: pass: 2
Etot= -50.2894525894539
Final minimization ...
Etot= -50.3184057402244
CG processor 0 is finishing work.
Bye Bye...
SUMSL return code 8
WARNING = SUMSL return code 8 is not 4
OK: absdiff= 2.445830, ene= -49.995830