Thursday, July 04 2024 19:56:56
UNRES
1.86s| 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) 301.0 average rms for T<280 8.92025 ERROR: energy differs remarkably from the value read in first 10 warnings wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.13454E+03 -0.13533E+03 point 1 1 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.93162E+02 -0.93947E+02 point 3 3 T 310.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.64595E+02 -0.65141E+02 point 4 4 T 345.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.10364E+03 -0.10343E+03 point 5 5 T 290.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.93981E+02 -0.94084E+02 point 6 6 T 300.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.65469E+02 -0.66095E+02 point 8 8 T 320.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.12287E+03 -0.12362E+03 point 9 9 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.11104E+03 -0.11187E+03 point 10 10 T 290.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.78545E+02 -0.79288E+02 point 12 12 T 330.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.11222E+03 -0.11260E+03 point 13 13 T 280.0 ERROR wrong average rms for T<280 by more than 0.2
