Tuesday, November 05 2024 09:38:42
UNRES
0.94s| Exit Value | 1 |
|---|---|
| Processors | [Graph]1 |
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CTEST_FULL_OUTPUT Bye Bye... Bye Bye... JESTEM JESTEM JESTEM JESTEM JESTEM JESTEM Calling MINIM_DC Calling MINIM_DC LBFGS return code isIterLimit eval 10007 # eval/s 35459.6828225451 refstr= T CG processor 0 is finishing work. LBFGS return code isIterLimit eval 10007 # eval/s 34627.3481404446 refstr= T CG processor 0 is finishing work. initial energy=144.98 reference=127.044 difference 17.936 from reference etot 127.044 greater than 0.01
