0.26s
Test: UNRES_M_REGULAR
(Passed)
Build: devel Linux-ifort-MPI_no5D E0LL2Y
(dell15)
on 2024-02-13 04:50:59
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= 0.956448664652014
Regularization: pass: 2
Etot= -5.23907788947742
Final minimization ...
Etot= -5.65296214742244
CG processor 0 is finishing work.
Bye Bye...
SUMSL return code 8
WARNING = SUMSL return code 8 is not 4
OK: absdiff= 2.68251, ene= -6.755993E+00