Saturday, September 21 2024 08:53:59
UNRES
1.76s| 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) 307.0 average rms for T<280 1.73964 ERROR: energy differs remarkably from the value read in first 10 warnings wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.58381E+02 -0.52332E+02 point 311 311 T 300.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.42443E+02 -0.36481E+02 point 319 319 T 345.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.47444E+02 -0.41528E+02 point 327 327 T 330.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.42443E+02 -0.36555E+02 point 335 335 T 345.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.42443E+02 -0.36579E+02 point 343 343 T 345.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.42443E+02 -0.36598E+02 point 351 351 T 345.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.42443E+02 -0.36612E+02 point 359 359 T 345.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.47444E+02 -0.41626E+02 point 367 367 T 330.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.50965E+02 -0.45158E+02 point 375 375 T 320.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.42443E+02 -0.36647E+02 point 383 383 T 345.0 ERROR wrong average rms for T<280 by more than 2.0
