CDash : UNRES

0.41s

Test: UNRES_REGULAR (Passed)
Build: Linux-gfortan-MPI E0LL2Y (dell15) on 2024-04-05 03:06:04
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6

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Test output

CTEST_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