1.34s
Test: UNRES_M_REGULAR
(Passed)
Build: devel Linux-ifort-MPI-DFA NEWCORR
(dell15)
on 2020-05-10 04:01:11
Repository revision: 2dd3a6f9908d6b50c116304f759917d6427a1158
Show Command Line/users/local/mpich-3.3.1_intel/bin/mpiexec "-np" "1" "/tmp/cdash/devel/build/source/unres/src-HCD-5D/test_prota_E0LL2Y.sh" "1l2y_MIN_REGULAR_INT" "1"
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Test outputCTEST_FULL_OUTPUT
1
indpdb= 33 pdbref= T
Call Read_Bridge.
ns= 0
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= 33.6533094617724
Regularization: pass: 2
Etot= 31.9120922582269
Final minimization ...
Etot= 31.1771769175454
CG processor 0 is finishing work.
Bye Bye...
SUMSL return code 9
WARNING = SUMSL return code 9 is not 4
OK: absdiff= 2.17718, ene= 3.117718E+01