0.20s
Test: UNRES_REGULAR
(Passed)
Build: prerelease-3.2.1 Linux-ifort-noMPI-E0LL2Y
(miracle1.macierz)
on 2017-02-09 04:00:44
Repository revision: 6f0e7ef07e02a56fff97df63bd7f07d4b6fb50ce
Show Command Line/bin/sh "/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
Inside initialize thetname_pdb
/tmp/cdash/prerelease/source/PARAM/thetaml.5parm
51 opened
********************************************************************************
United-residue force field calculation - serial job.
********************************************************************************
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= -6.01841753100652
Regularization: pass: 2
Etot= -9.41890615615156
Final minimization ...
Etot= -9.53531019626436
********** Program terminated normally.
SUMSL return code 8
WARNING = SUMSL return code 8 is not 4
OK: absdiff= 5.220417, ene= -10.479310