Match comparison for Bader value 2 (match type 23597)

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Input 09-symmetrization_gga.01-spg143_nosym.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.159825440646470e-02 5.610000000000000e-15 1.159825440646592e-02 9.675907334317667e-16 1.159825440646655e-02 3.250004432242548e-15 PASS

Checks for this match

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

Reference: 0.011598254406464701, precision: 0.00000000000000561
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min 1.159825440646590e-02 1.198693921899974e-15 2.136709308199597e-01 PASS
cmake_foss_2022a_full_serial 1.159825440646590e-02 1.198693921899974e-15 2.136709308199597e-01 PASS
spack_foss-2022a_serial 1.159825440646590e-02 1.198693921899974e-15 2.136709308199597e-01 PASS
spack_foss-2022a_ppc 1.159825440646980e-02 5.098352295895836e-15 9.087972006944449e-01 PASS
spack_foss-2022a_mpi_min 1.159825440646580e-02 1.099814683769296e-15 1.960453981763450e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] 1.159825440646340e-02 -1.301042606982605e-15 -2.319149032054555e-01 PASS
cmake_foss_2022a_full_mpi 1.159825440646580e-02 1.099814683769296e-15 1.960453981763450e-01 PASS
spack_foss-2022a_mpi 1.159825440646580e-02 1.099814683769296e-15 1.960453981763450e-01 PASS
cmake_foss_2022a_min_serial 1.159825440646590e-02 1.198693921899974e-15 2.136709308199597e-01 PASS
spack_foss-2023a_mpi 1.159825440646580e-02 1.099814683769296e-15 1.960453981763450e-01 PASS
cmake_foss_2022a_min_mpi 1.159825440646580e-02 1.099814683769296e-15 1.960453981763450e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 1.159825440646580e-02 1.099814683769296e-15 1.960453981763450e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 1.159825440646590e-02 1.198693921899974e-15 2.136709308199597e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 1.159825440646590e-02 1.198693921899974e-15 2.136709308199597e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 1.159825440646590e-02 1.198693921899974e-15 2.136709308199597e-01 PASS
GCI_intel_autotools: [intel2023a-serial] 1.159825440646620e-02 1.498801083243961e-15 2.671659684926847e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 1.159825440646580e-02 1.099814683769296e-15 1.960453981763450e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 1.159825440646620e-02 1.498801083243961e-15 2.671659684926847e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 1.159825440646620e-02 1.498801083243961e-15 2.671659684926847e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 1.159825440646610e-02 1.398187121637307e-15 2.492312159781295e-01 PASS
spack_foss-2023a_mpi_debug 1.159825440646580e-02 1.099814683769296e-15 1.960453981763450e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 1.159825440646980e-02 5.098352295895836e-15 9.087972006944449e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] 1.159825440646590e-02 1.198693921899974e-15 2.136709308199597e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] 1.159825440646590e-02 1.198693921899974e-15 2.136709308199597e-01 PASS
spack_foss-2023a_mpi_min 1.159825440646580e-02 1.099814683769296e-15 1.960453981763450e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] 1.159825440646590e-02 1.198693921899974e-15 2.136709308199597e-01 PASS
GCI_foss_autotools: [foss2022a-serial] 1.159825440646590e-02 1.198693921899974e-15 2.136709308199597e-01 PASS
GCI_foss_autotools: [foss2023a-serial] 1.159825440646590e-02 1.198693921899974e-15 2.136709308199597e-01 PASS
GCI_foss_autotools: [foss2023b-serial] 1.159825440646590e-02 1.198693921899974e-15 2.136709308199597e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 1.159825440646590e-02 1.198693921899974e-15 2.136709308199597e-01 PASS
spack_foss-2023a_serial 1.159825440646590e-02 1.198693921899974e-15 2.136709308199597e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 1.159825440646580e-02 1.099814683769296e-15 1.960453981763450e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 1.159825440646580e-02 1.099814683769296e-15 1.960453981763450e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 1.159825440646580e-02 1.099814683769296e-15 1.960453981763450e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 1.159825440646580e-02 1.099814683769296e-15 1.960453981763450e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 1.159825440646580e-02 1.099814683769296e-15 1.960453981763450e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 1.159825440646580e-02 1.099814683769296e-15 1.960453981763450e-01 PASS
spack_foss-2023a_mpi_opt 1.159825440646580e-02 1.099814683769296e-15 1.960453981763450e-01 PASS
spack_foss-2023a_serial_debug 1.159825440646590e-02 1.198693921899974e-15 2.136709308199597e-01 PASS
spack_foss-2023a_serial_min 1.159825440646590e-02 1.198693921899974e-15 2.136709308199597e-01 PASS
spack_foss-2023a_serial_opt 1.159825440646590e-02 1.198693921899974e-15 2.136709308199597e-01 PASS
spack_foss-2023a_mpi_omp 1.159825440646580e-02 1.099814683769296e-15 1.960453981763450e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 1.159825440646610e-02 1.398187121637307e-15 2.492312159781295e-01 PASS
spack_foss-2023b_serial 1.159825440646590e-02 1.198693921899974e-15 2.136709308199597e-01 PASS
spack_foss-2023a_serial_omp 1.159825440646580e-02 1.099814683769296e-15 1.960453981763450e-01 PASS
spack_intel-2023a_serial 1.159825440646620e-02 1.498801083243961e-15 2.671659684926847e-01 PASS
spack_intel-2022a_serial_omp 1.159825440646620e-02 1.498801083243961e-15 2.671659684926847e-01 PASS
spack_intel-2023a_serial_omp 1.159825440646620e-02 1.498801083243961e-15 2.671659684926847e-01 PASS
spack_intel-2023a_impi 1.159825440646610e-02 1.398187121637307e-15 2.492312159781295e-01 PASS
spack_intel-2022a_impi_omp 1.159825440646610e-02 1.398187121637307e-15 2.492312159781295e-01 PASS
spack_foss-2022a_cuda_mpi_omp 1.159825440646330e-02 -1.401656568589260e-15 -2.498496557200107e-01 PASS
spack_foss-2022a_cuda_serial 1.159825440646340e-02 -1.301042606982605e-15 -2.319149032054555e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 1.159825440646580e-02 1.099814683769296e-15 1.960453981763450e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 1.159825440646580e-02 1.099814683769296e-15 1.960453981763450e-01 PASS