0.38s
Test: UNRES_REGULAR
(Passed)
Build: Linux-gfortan-MPI E0LL2Y
(m10)
on 2024-02-18 03:08:11
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6
Show Command Line/users2/local/mpich3.2_gnu/bin/mpiexec "-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 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= 3.4211594480208714
Regularization: pass: 2
Etot= -0.29372569526411674
Final minimization ...
Etot= -9.3312598835378697
CG processor 0 is finishing work.
STOP Bye Bye...
SUMSL return code 4
OK: absdiff= 5.520057, ene= -10.778950