Friday, September 20 2024 04:44:31
UNRES
1.12s| 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) 269.0 average rms for T<280 1.65607 ERROR: energy differs remarkably from the value read in first 10 warnings wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.15350E+03 0.10692E+03 point 1 1 T 300.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.16867E+03 0.12283E+03 point 2 2 T 320.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.17418E+03 0.11566E+03 point 3 3 T 270.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.15976E+03 0.11228E+03 point 4 4 T 280.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.15602E+03 0.11819E+03 point 5 5 T 310.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.16162E+03 0.12927E+03 point 6 6 T 290.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.16982E+03 0.14064E+03 point 7 7 T 330.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.16296E+03 0.13861E+03 point 8 8 T 345.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.15317E+03 0.10655E+03 point 9 9 T 290.0 wham.out_GB000:Warning: energy differs remarkably from the value read in: 0.17347E+03 0.12703E+03 point 10 10 T 310.0 ERROR wrong T max of Cv(T) by more than 50 K ERROR wrong average rms for T<280 by more than 4.0
