Execution Time2.53s

Test: UNRES_M_DOCK_wham (Failed)
Build: devel Linux-ifort-MPI E0LL2Y (dell15) on 2024-03-30 03:48:42
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef

Exit Value1

Show Command Line
Show Test Time Graph
Show Failing/Passing Graph

Test output
CTEST_FULL_OUTPUT
 OpenUnits: processor           1
 OpenUnits: processor           0
 ns=           0
 ns=           0
 JESTEM
 JESTEM
 JESTEM
 JESTEM
 JESTEM
 JESTEM
 Calling cxread
 Calling cxread
T of max Cv(T)  600.0
average rms for T<280  9.91847
ERROR: energy differs remarkably from  the value read in
first 10 warnings
wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.47041E+02   -0.45911E+02 point       1       1 T   345.0
wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.71270E+02   -0.69423E+02 point       2       2 T   330.0
wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.94932E+02   -0.94161E+02 point       3       3 T   290.0
wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.79058E+02   -0.80262E+02 point       4       4 T   320.0
wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.90231E+02   -0.87425E+02 point       5       5 T   310.0
wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.83530E+02   -0.80881E+02 point       6       6 T   300.0
wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.11933E+03   -0.12317E+03 point       7       7 T   280.0
wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.10723E+03   -0.10938E+03 point       8       8 T   270.0
wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.43804E+02   -0.41603E+02 point       9       9 T   345.0
wham.out_GB000:Warning: energy differs remarkably from  the value read in:    -0.62354E+02   -0.61243E+02 point      10      10 T   330.0
ERROR wrong T max of Cv(T) by more than 50 K