Match comparison for Exchange energy (match type 32213)

Commits > Commit 1d082993d3bad72c6bb5f6456239111dd26ba4bd > Input 01-nio.01-U5-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.092393220000000e+01 1.550000000000000e-06 -3.092393203777778e+01 2.577586206267462e-07 -3.092393221000000e+01 3.100000007805193e-07 PASS

Checks for this match

  • MPI builders have different values.
  • GPU builders have different values.
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Detailed information

Reference: -30.9239322, precision: 0.00000155
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
intel_omp_autotools: [intel2023a-serial] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-serial-full: [foss2023a-serial] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-serial-min: [foss2023b-serial] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-opt-full: [foss2023a-serial] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-serial-min: [foss2022a-serial] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
cuda-mpi: [foss2022a-cuda-mpi] -3.092393252000000e+01 -3.200000016079230e-07 -2.064516139405955e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.092393252000000e+01 -3.200000016079230e-07 -2.064516139405955e-01 PASS