Saturday, September 21 2024 19:00:39
UNRES
1.84s| 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) 314.0 average rms for T<280 1.86352 ERROR: energy differs remarkably from the value read in first 10 warnings wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.91345E+02 -0.91117E+02 point 101 705 T 270.0 wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.85368E+02 -0.85140E+02 point 109 713 T 280.0 wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.79418E+02 -0.79189E+02 point 117 721 T 290.0 wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.73545E+02 -0.73316E+02 point 125 729 T 300.0 wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.62216E+02 -0.61985E+02 point 133 737 T 320.0 wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.67798E+02 -0.67567E+02 point 141 745 T 310.0 wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.73545E+02 -0.73316E+02 point 149 753 T 300.0 wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.67798E+02 -0.67567E+02 point 157 761 T 310.0 wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.73545E+02 -0.73316E+02 point 165 769 T 300.0 wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.73545E+02 -0.73316E+02 point 173 777 T 300.0 ERROR wrong average rms for T<280 by more than 2.0
