Tuesday, November 05 2024 02:10:40
UNRES
1.84s| 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) 424.0 average rms for T<280 9.8731 ERROR: energy differs remarkably from the value read in first 10 warnings wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.86263E+02 -0.86936E+02 point 1 1 T 310.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.10757E+03 -0.11288E+03 point 2 2 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.99262E+02 -0.99534E+02 point 3 3 T 280.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.71379E+02 -0.72294E+02 point 5 5 T 320.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.52825E+02 -0.51730E+02 point 6 6 T 345.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.86857E+02 -0.85520E+02 point 7 7 T 290.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.68466E+02 -0.65778E+02 point 8 8 T 330.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.95756E+02 -0.95319E+02 point 9 9 T 300.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.97253E+02 -0.96147E+02 point 10 10 T 280.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.10310E+03 -0.10776E+03 point 11 11 T 270.0 ERROR wrong T max of Cv(T) by more than 50 K
