0.38s
Test: UNRES_REGULAR
(Passed)
Build: Linux-gfortran-noMPI E0LL2Y
(dell15)
on 2024-03-30 03:32:16
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6
Show Command Line/bin/sh "/tmp/cdash/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= -6.7829967946764160
Regularization: pass: 2
Etot= -9.1118084222036249
Final minimization ...
Etot= -9.5356813565488654
STOP ********** Program terminated normally.
SUMSL return code 8
WARNING = SUMSL return code 8 is not 4
OK: absdiff= 5.220167, ene= -10.479060