0.70s
Test: UNRES_REGULAR
(Passed)
Build: Linux-pgi-MPI E0LL2Y
(dell15)
on 2024-04-16 04:15:51
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6
Show Command Line/opt/pgi/linux86-64/2019/mpi/openmpi-3.1.3/bin/mpirun "-np" "1" "/tmp/cdash/build/source/unres/src_MD/test_prota_E0LL2Y.sh" "1l2y_MIN_REGULAR_INT" "1"
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Test outputCTEST_FULL_OUTPUT
Processor 0 out of 1 rank in CG_COMM 0
size of CG_COMM 1 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Inside initialize thetname_pdb
/tmp/cdash/source/PARAM/thetaml.5parm
51 opened
MPI: node= 0 iseed= -3059742
indpdb= 33 pdbref= T
Call Read_Bridge.
ns= 0
Processor 0 0 0 ivec_start 1
ivec_end 21
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= 3.397894378758796
Regularization: pass: 2
Etot= 1.220317387608272
Final minimization ...
Etot= -5.075228038364454
CG processor 0 is finishing work.
Warning: ieee_inexact is signaling
Bye Bye...
SUMSL return code 4
OK: absdiff= .004542, ene= -5.263435