Match comparison for Eigenvalues sum (match type 32502)

Commits > Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d > Input 24-hartree_fock_1D.02-noACE.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.873826404100000e+02 2.440000000000000e-07 -4.816611317124139e+02 7.289182303336298e-07 -4.816611318400000e+02 7.400000185953104e-07 FAIL

Checks for this match

  • MPI builders have different values.
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: -487.38264041, precision: 0.000000244
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -4.816611311000000e+02 5.721509310000044e+00 2.344880864754117e+07 FAIL
foss-cmake-zen4: [foss2023a-serial, foss-full] -4.816611311000000e+02 5.721509310000044e+00 2.344880864754117e+07 FAIL
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -4.816611325800000e+02 5.721507830000007e+00 2.344880258196724e+07 FAIL
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -4.816611325800000e+02 5.721507830000007e+00 2.344880258196724e+07 FAIL
foss-serial-min: [foss2022a-serial] -4.816611311000000e+02 5.721509310000044e+00 2.344880864754117e+07 FAIL
foss-serial-min: [foss2023a-serial] -4.816611311000000e+02 5.721509310000044e+00 2.344880864754117e+07 FAIL
foss_cmake: [foss2022a-serial, foss-min] -4.816611311000000e+02 5.721509310000044e+00 2.344880864754117e+07 FAIL
foss_cmake: [foss2022a-serial, foss-full] -4.816611311000000e+02 5.721509310000044e+00 2.344880864754117e+07 FAIL
intel-serial: [intel2023a-serial] -4.816611311000000e+02 5.721509310000044e+00 2.344880864754117e+07 FAIL
foss-serial-full: [foss2023a-serial] -4.816611311000000e+02 5.721509310000044e+00 2.344880864754117e+07 FAIL
foss-opt-full: [foss2023a-serial] -4.816611311000000e+02 5.721509310000044e+00 2.344880864754117e+07 FAIL
foss-serial-min: [foss2023b-serial] -4.816611311000000e+02 5.721509310000044e+00 2.344880864754117e+07 FAIL
foss-serial-full: [foss2023b-serial] -4.816611311000000e+02 5.721509310000044e+00 2.344880864754117e+07 FAIL
foss-ppc: [foss2022a-serial] -4.816611311000000e+02 5.721509310000044e+00 2.344880864754117e+07 FAIL
intel_omp_autotools: [intel2023a-serial] -4.816611311000000e+02 5.721509310000044e+00 2.344880864754117e+07 FAIL
foss-omp-full: [foss2023a-serial] -4.816611311000000e+02 5.721509310000044e+00 2.344880864754117e+07 FAIL
foss_cmake: [foss2022a-mpi, foss-full-mpi] -4.816611325800000e+02 5.721507830000007e+00 2.344880258196724e+07 FAIL
foss-serial-debug: [foss2023a-serial] -4.816611311000000e+02 5.721509310000044e+00 2.344880864754117e+07 FAIL
intel_omp_autotools: [intel2022a-serial] -4.816611311000000e+02 5.721509310000044e+00 2.344880864754117e+07 FAIL
foss_cmake: [foss2023a-mpi, foss-full-mpi] -4.816611325800000e+02 5.721507830000007e+00 2.344880258196724e+07 FAIL
foss-mpi-opt-full: [foss2023a-mpi] -4.816611325800000e+02 5.721507830000007e+00 2.344880258196724e+07 FAIL
foss_cmake: [foss2023a-mpi, foss-min-mpi] -4.816611325800000e+02 5.721507830000007e+00 2.344880258196724e+07 FAIL
foss_cmake: [foss2022a-mpi, foss-min-mpi] -4.816611325800000e+02 5.721507830000007e+00 2.344880258196724e+07 FAIL
foss-mpi-full: [foss2023a-mpi] -4.816611325800000e+02 5.721507830000007e+00 2.344880258196724e+07 FAIL
foss-mpi-min: [foss2022a-mpi] -4.816611325800000e+02 5.721507830000007e+00 2.344880258196724e+07 FAIL
foss-mpi-debug: [foss2023a-mpi] -4.816611325800000e+02 5.721507830000007e+00 2.344880258196724e+07 FAIL
foss-mpi-min: [foss2023a-mpi] -4.816611325800000e+02 5.721507830000007e+00 2.344880258196724e+07 FAIL
foss-mpi-omp-full: [foss2023a-mpi] -4.816611325800000e+02 5.721507830000007e+00 2.344880258196724e+07 FAIL
valgrind: [foss2023a-serial] -4.816611311000000e+02 5.721509310000044e+00 2.344880864754117e+07 FAIL