Saturday, April 27 2024 12:33:41
UNRES
1.93s| Exit Value | 1 |
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CTEST_FULL_OUTPUT OpenUnits: processor 1 OpenUnits: processor 0 ns= 0 ns= 0 JESTEM JESTEM JESTEM JESTEM JESTEM JESTEM Calling cxread Calling cxread T of max Cv(T) 600.0 average rms for T<280 9.91847 ERROR: energy differs remarkably from the value read in first 10 warnings wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.47041E+02 -0.45911E+02 point 1 1 T 345.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.71270E+02 -0.69423E+02 point 2 2 T 330.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.94932E+02 -0.94161E+02 point 3 3 T 290.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.79058E+02 -0.80262E+02 point 4 4 T 320.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.90231E+02 -0.87425E+02 point 5 5 T 310.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.83530E+02 -0.80881E+02 point 6 6 T 300.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.11933E+03 -0.12317E+03 point 7 7 T 280.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.10723E+03 -0.10938E+03 point 8 8 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.43804E+02 -0.41603E+02 point 9 9 T 345.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.62354E+02 -0.61243E+02 point 10 10 T 330.0 ERROR wrong T max of Cv(T) by more than 50 K
