0.33s
Test: UNRES_REGULAR
(Passed)
Build: homology Linux-ifort-MPI E0LL2Y
(dell15)
on 2024-02-14 04:01:15
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a
Show Command Line/users/local/mpich-3.3.1_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= -49.0004604861682
Regularization: pass: 2
Etot= -50.2697025915772
Final minimization ...
Etot= -50.3104523925567
CG processor 0 is finishing work.
Bye Bye...
SUMSL return code 8
WARNING = SUMSL return code 8 is not 4
OK: absdiff= 2.391820, ene= -49.941820