Monday, September 23 2024 23:25:46
UNRES
1.01s| Exit Value | 1 |
|---|
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CTEST_FULL_OUTPUT OpenUnits: processor 1 OpenUnits: processor 0 ns= 0 ns= 0 Calling cxread Calling cxread T of max Cv(T) 223.0 average rms for T<280 3.77034 ERROR: energy differs remarkably from the value read in first 10 warnings wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.96067E+02 0.88253E+02 point 14 14 T 280.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.85181E+02 0.84192E+02 point 71 71 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.85466E+02 0.85354E+02 point 122 122 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.87582E+02 0.87425E+02 point 158 158 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.85586E+02 0.85454E+02 point 187 187 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.83080E+02 0.78722E+02 point 195 195 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.89106E+02 0.87935E+02 point 309 309 T 280.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.88426E+02 0.80893E+02 point 401 401 T 290.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.73540E+02 0.66724E+02 point 500 500 T 270.0 wham.out_GB001:Warning: energy differs remarkably from the value read in: 0.71725E+02 0.71591E+02 point 188 704 T 270.0
