0.20s
Test: UNRES_REGULAR
(Failed)
Build: homology Linux-ifort-noMPI E0LL2Y
(dell15)
on 2017-11-25 03:56:56
Repository revision: 2e4664425cf99771a8d398073b3c546df52e111b
Show Command Line/bin/sh "/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
Inside initialize thetname_pdb
/tmp/cdash/homology/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= -56.2363410631806
Regularization: pass: 2
Etot= -58.3995518669186
Final minimization ...
Etot= -58.4562551276259
********** Program terminated normally.
SUMSL return code 4
CRITICAL: energy is loo large 11.835140, ene= -59.385140