0.47s
Test: UNRES_M_REGULAR
(Failed)
Build: devel Linux-ifort-5D-MPI-DFA E0LL2Y
(dell15)
on 2020-04-19 08:43:21
Repository revision: f157749e47c643286518267992ae6bdae3289473
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
JESTEM
JESTEM
JESTEM
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= -23.6611424226017
Regularization: pass: 2
Etot= -53.4123007088798
Final minimization ...
Etot= -53.3602263094221
CG processor 0 is finishing work.
Bye Bye...
SUMSL return code
WARNING = SUMSL return code is not 4
CRITICAL: energy is loo large 52.6292, ene= -6.206772E+01