Friday, September 20 2024 22:21:57
UNRES
5.24s| Exit Value | 1 |
|---|
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CTEST_FULL_OUTPUT OpenUnits: processor 1 OpenUnits: processor 0 ns= 0 ns= 0 ishiftca= 1 ilastca= 76 ishiftca= 1 ilastca= 76 Calling cxread Calling cxread T of max Cv(T) 600.0 average rms for T<260 0 ERROR: energy differs remarkably from the value read in first 10 warnings dfa_wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.47927E+03 -0.47985E+03 point 1 1 T 260.0 dfa_wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.52194E+03 -0.52252E+03 point 2 2 T 240.0 dfa_wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.41587E+03 -0.41646E+03 point 3 3 T 300.0 dfa_wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.45680E+03 -0.45737E+03 point 4 4 T 280.0 dfa_wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.41043E+03 -0.41095E+03 point 5 5 T 340.0 dfa_wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.45917E+03 -0.45978E+03 point 6 6 T 320.0 dfa_wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.26709E+03 -0.26769E+03 point 7 7 T 390.0 dfa_wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.37750E+03 -0.37806E+03 point 8 8 T 360.0 dfa_wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.47615E+03 -0.47672E+03 point 9 9 T 260.0 dfa_wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.52094E+03 -0.52154E+03 point 10 10 T 240.0 ERROR wrong T max of Cv(T) by more than 10 K
