Saturday, September 21 2024 19:30:45
UNRES
4.59s| Exit Value | 1 |
|---|---|
| Processors | [Graph]1 |
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CTEST_FULL_OUTPUT OpenUnits: processor 1 OpenUnits: processor 0 ns= 0 ns= 0 Calling cxread Calling cxread Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL T of max Cv(T) 276.0 average rms for T<280 9.36627 ERROR: energy differs remarkably from the value read in first 10 warnings wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.27016E+02 Infinity point 5 5 T 345.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.78929E+02 Infinity point 81 81 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.45292E+02 Infinity point 89 89 T 345.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.49310E+02 Infinity point 105 105 T 330.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.59211E+02 Infinity point 169 169 T 320.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.54149E+02 Infinity point 201 201 T 320.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.80150E+02 Infinity point 305 305 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.76171E+02 Infinity point 497 497 T 310.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.66215E+02 Infinity point 577 577 T 320.0 wham.out_GB001:Warning: energy differs remarkably from the value read in: -0.63010E+02 Infinity point 109 713 T 300.0
