Monday, September 23 2024 21:21:58
UNRES
1.85s| 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) 291.0 average rms for T<280 4.82787 ERROR: energy differs remarkably from the value read in first 10 warnings wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.49878E+02 -0.60695E+02 point 195 799 T 345.0 wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.53864E+02 -0.64678E+02 point 203 807 T 330.0 wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.56658E+02 -0.67485E+02 point 211 815 T 320.0 wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.53858E+02 -0.64678E+02 point 219 823 T 330.0 wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.49862E+02 -0.60695E+02 point 227 831 T 345.0 wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.53860E+02 -0.64678E+02 point 235 839 T 330.0 wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.56643E+02 -0.67485E+02 point 243 847 T 320.0 wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.56662E+02 -0.67485E+02 point 251 855 T 320.0 wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.59576E+02 -0.70399E+02 point 259 863 T 310.0 wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.53867E+02 -0.64678E+02 point 267 871 T 330.0 ERROR wrong average rms for T<280 by more than 2.0
