Sunday, September 29 2024 18:57:55
UNRES
1.64s| Exit Value | 1 |
|---|---|
| Processors | [Graph]1 |
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CTEST_FULL_OUTPUT OpenUnits: processor 0 OpenUnits: processor 1 ns= 0 ns= 0 JESTEM JESTEM JESTEM JESTEM JESTEM JESTEM Calling cxread Calling cxread Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_DENORMAL T of max Cv(T) 9.99978 average rms for T<280 0 ERROR: energy differs remarkably from the value read in first 10 warnings wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.10379E+03 -0.10425E+03 point 1 1 T 290.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.11567E+03 -0.11626E+03 point 2 2 T 280.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.11630E+03 -0.11693E+03 point 3 3 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.72156E+02 -0.72669E+02 point 5 5 T 310.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.58465E+02 -0.59210E+02 point 6 6 T 320.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.59784E+02 -0.60414E+02 point 7 7 T 330.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.48820E+02 -0.49542E+02 point 8 8 T 345.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.11307E+03 -0.11350E+03 point 9 9 T 290.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.11152E+03 -0.11220E+03 point 10 10 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: -0.12595E+03 -0.12577E+03 point 11 11 T 280.0 ERROR wrong T max of Cv(T) by more than 10 K ERROR wrong average rms for T<280 by more than 0.2
