Saturday, September 21 2024 21:39:45
UNRES
1.13s| Exit Value | 1 |
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CTEST_FULL_OUTPUT OpenUnits: processor 1 OpenUnits: processor 0 ns= 0 ns= 0 Calling cxread Calling cxread T of max Cv(T) 234.0 average rms for T<280 9.27246 ERROR: energy differs remarkably from the value read in first 10 warnings wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.95475E+02 0.82632E+02 point 11 11 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.92013E+02 0.83419E+02 point 47 47 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.78458E+02 0.78340E+02 point 55 55 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.77831E+02 0.77644E+02 point 63 63 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.87327E+02 0.87557E+02 point 100 100 T 280.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.86139E+02 0.86723E+02 point 122 122 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.90496E+02 0.76384E+02 point 137 137 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.97279E+02 0.87087E+02 point 160 160 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.95497E+02 0.94679E+02 point 190 190 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.10159E+03 0.90055E+02 point 227 227 T 270.0 ERROR wrong average rms for T<280 by more than 4.0
