Execution Time1.84s

Test: UNRES_M_DOCK_wham (Failed)
Build: devel Linux-ifort-MPI-DFA E0LL2Y (dell15) on 2023-06-01 04:07:17
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef

Exit Value1

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Test output
CTEST_FULL_OUTPUT
 OpenUnits: processor           0
 OpenUnits: processor           1
 ns=           0
 ns=           0
 JESTEM
 JESTEM
 JESTEM
 JESTEM
 JESTEM
 JESTEM
 Calling cxread
 Calling cxread
T of max Cv(T)  424.0
average rms for T<280  9.8731
ERROR: energy differs remarkably from  the value read in
first 10 warnings
wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.86263E+02   -0.86936E+02 point       1       1 T   310.0
wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.10757E+03   -0.11288E+03 point       2       2 T   270.0
wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.99262E+02   -0.99534E+02 point       3       3 T   280.0
wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.71379E+02   -0.72294E+02 point       5       5 T   320.0
wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.52825E+02   -0.51730E+02 point       6       6 T   345.0
wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.86857E+02   -0.85520E+02 point       7       7 T   290.0
wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.68466E+02   -0.65778E+02 point       8       8 T   330.0
wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.95756E+02   -0.95319E+02 point       9       9 T   300.0
wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.97253E+02   -0.96147E+02 point      10      10 T   280.0
wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.10310E+03   -0.10776E+03 point      11      11 T   270.0
ERROR wrong T max of Cv(T) by more than 50 K