Wednesday, October 02 2024 15:15:50
UNRES
4.87s| Exit Value | 1 |
|---|
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CTEST_FULL_OUTPUT OpenUnits: processor 0 OpenUnits: processor 1 ns= 0 ns= 0 JESTEM JESTEM JESTEM JESTEM JESTEM JESTEM Calling cxread Calling cxread T of max Cv(T) 9.99315 average rms for T<280 0 ERROR: energy differs remarkably from the value read in first 10 warnings wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.10875E+03 -0.10913E+03 point 1 1 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.88574E+02 -0.89268E+02 point 2 2 T 290.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.10505E+03 -0.10568E+03 point 3 3 T 280.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.75116E+02 -0.75839E+02 point 4 4 T 330.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.73049E+02 -0.73557E+02 point 5 5 T 310.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.73493E+02 -0.74053E+02 point 6 6 T 320.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.83663E+02 -0.84216E+02 point 7 7 T 300.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.35648E+02 -0.36238E+02 point 8 8 T 345.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.83061E+02 -0.83853E+02 point 10 10 T 280.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.96616E+02 -0.97201E+02 point 11 11 T 290.0 ERROR wrong T max of Cv(T) by more than 10 K ERROR wrong average rms for T<280 by more than 0.2
