0.32s
Test: UNRES_M_REGULAR
(Failed)
Build: devel Linux-ifort-MPI_no5D NEWCORR
(dell15)
on 2024-02-14 05:02:31
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef
Show Command Line/users/local/mpich-3.3.1_intel/bin/mpiexec "-np" "1" "/tmp/cdash/devel/build/source/unres/src_MD-M-SAXS-homology/test_prota_E0LL2Y.sh" "1l2y_MIN_REGULAR_INT" "1"
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Test outputCTEST_FULL_OUTPUT
1
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= 82.4236150169281
Regularization: pass: 2
Etot= 81.3176716445027
Final minimization ...
Etot= 81.2665572953262
CG processor 0 is finishing work.
Bye Bye...
SUMSL return code 8
WARNING = SUMSL return code 8 is not 4
CRITICAL: energy is loo large 52.2666, ene= 8.126656E+01