Sunday, September 29 2024 21:18:26
UNRES
4.71s| Exit Value | 1 |
|---|
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CTEST_FULL_OUTPUT OpenUnits: processor 0 OpenUnits: processor 1 ns= 0 ns= 0 ishiftca= 1 ilastca= 76 ishiftca= 1 ilastca= 76 JESTEM JESTEM JESTEM JESTEM JESTEM JESTEM Calling cxread Calling cxread T of max Cv(T) 257.0 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: -0.77344E+03 -0.40920E+03 point 1 1 T 280.0 dfa_wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.87988E+03 -0.57826E+03 point 2 2 T 240.0 dfa_wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.86193E+03 -0.51153E+03 point 3 3 T 260.0 dfa_wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.77603E+03 -0.41859E+03 point 4 4 T 300.0 dfa_wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.74183E+03 -0.38350E+03 point 5 5 T 360.0 dfa_wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.80756E+03 -0.51250E+03 point 6 6 T 320.0 dfa_wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.78029E+03 -0.42958E+03 point 7 7 T 340.0 dfa_wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.70782E+03 -0.33642E+03 point 8 8 T 390.0 dfa_wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.76361E+03 -0.40203E+03 point 9 9 T 280.0 dfa_wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.88491E+03 -0.57847E+03 point 10 10 T 240.0 ERROR wrong T max of Cv(T) by more than 10 K
