0.33s
Test: UNRES_REGULAR
(Failed)
Build: homology Linux-gfortran-noMPI E0LL2Y
(dell15)
on 2019-09-19 03:55:43
Repository revision: 42c272d4dee3edd0c57633b384f4e3f0a174c468
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
********************************************************************************
United-residue force field calculation - serial job.
********************************************************************************
Inside initialize 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= -56.343911909259155
Regularization: pass: 2
Etot= -58.347588544111680
Final minimization ...
Etot= -58.456711602501493
STOP ********** Program terminated normally.
SUMSL return code 4
CRITICAL: energy is loo large 11.834870, ene= -59.384870