Match comparison for Force (match type 17157)

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Input 03-nlcc.01-Fatom.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-5.516677049999999e-15 4.650000000000000e-14 -2.762960198938305e-15 1.614128227557733e-14 -7.138992600000000e-15 4.209663610000000e-14 PASS

Checks for this match

  • GPU builders have different values.
  • Intel® builders have different values.
  • Precision seems large and value close to zero. Should value be 0?
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Detailed information

Reference: -0.000000000000005516677049999999, precision: 0.0000000000000465
Run Value Difference Relative difference Status
GCI_foss_ppc_autotools: [foss2022a-serial] 3.604586320000000e-18 5.520281636319999e-15 1.187157341144086e-01 PASS
cmake_foss_2022a_full_serial -2.993594680000000e-15 2.523082369999999e-15 5.425983591397848e-02 PASS
spack_foss-2022a_ppc 3.604586320000000e-18 5.520281636319999e-15 1.187157341144086e-01 PASS
spack_foss-2023a_serial_opt -2.993594680000000e-15 2.523082369999999e-15 5.425983591397848e-02 PASS
cmake_foss_2022a_min_serial -2.993594680000000e-15 2.523082369999999e-15 5.425983591397848e-02 PASS
cmake_foss_2022a_min_mpi -6.746015500000000e-15 -1.229338450000001e-15 -2.643738602150539e-02 PASS
cmake_foss_2022a_full_mpi -6.746015500000000e-15 -1.229338450000001e-15 -2.643738602150539e-02 PASS
spack_foss-2022a_mpi -5.802071840000000e-15 -2.853947900000004e-16 -6.137522365591407e-03 PASS
spack_foss-2022a_mpi_min -5.802071840000000e-15 -2.853947900000004e-16 -6.137522365591407e-03 PASS
spack_foss-2022a_serial -5.869130370000000e-15 -3.524533200000006e-16 -7.579641290322595e-03 PASS
GCI_foss_min_autotools: [foss2022a-serial] -5.869130370000000e-15 -3.524533200000006e-16 -7.579641290322595e-03 PASS
GCI_foss_min_autotools: [foss2023a-serial] -5.869130370000000e-15 -3.524533200000006e-16 -7.579641290322595e-03 PASS
spack_foss-2022a_serial_min -5.869130370000000e-15 -3.524533200000006e-16 -7.579641290322595e-03 PASS
spack_foss-2023a_serial -5.869130370000000e-15 -3.524533200000006e-16 -7.579641290322595e-03 PASS
spack_foss-2023a_mpi_min -5.802071840000000e-15 -2.853947900000004e-16 -6.137522365591407e-03 PASS
spack_foss-2023a_mpi -5.802071840000000e-15 -2.853947900000004e-16 -6.137522365591407e-03 PASS
spack_foss-2023a_serial_min -5.869130370000000e-15 -3.524533200000006e-16 -7.579641290322595e-03 PASS
spack_foss-2023a_mpi_opt -6.746015500000000e-15 -1.229338450000001e-15 -2.643738602150539e-02 PASS
GCI_foss_min_autotools: [foss2023b-serial] -5.869130370000000e-15 -3.524533200000006e-16 -7.579641290322595e-03 PASS
spack_foss-2023a_serial_debug -5.869130370000000e-15 -3.524533200000006e-16 -7.579641290322595e-03 PASS
spack_foss-2023b_serial -5.869130370000000e-15 -3.524533200000006e-16 -7.579641290322595e-03 PASS
spack_foss-2023a_serial_omp -2.596370780000000e-15 2.920306269999999e-15 6.280228537634408e-02 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -2.596370780000000e-15 2.920306269999999e-15 6.280228537634408e-02 PASS
spack_foss-2023a_mpi_debug -5.802071840000000e-15 -2.853947900000004e-16 -6.137522365591407e-03 PASS
GCI_foss_autotools: [foss2022a-serial] -5.869130370000000e-15 -3.524533200000006e-16 -7.579641290322595e-03 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -2.993594680000000e-15 2.523082369999999e-15 5.425983591397848e-02 PASS
GCI_foss_autotools: [foss2023a-serial] -5.869130370000000e-15 -3.524533200000006e-16 -7.579641290322595e-03 PASS
spack_intel-2022a_serial_omp 3.495764350000000e-14 4.047432055000000e-14 8.704154956989248e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -5.869130370000000e-15 -3.524533200000006e-16 -7.579641290322595e-03 PASS
spack_foss-2023a_mpi_omp -1.052234140000000e-14 -5.005664350000001e-15 -1.076486956989248e-01 PASS
spack_intel-2023a_serial 2.488480000000000e-14 3.040147705000000e-14 6.537952053763441e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -6.746015500000000e-15 -1.229338450000001e-15 -2.643738602150539e-02 PASS
GCI_intel_autotools: [intel2023a-serial] 2.488480000000000e-14 3.040147705000000e-14 6.537952053763441e-01 PASS
spack_intel-2023a_impi 2.477202460000000e-14 3.028870165000000e-14 6.513699279569893e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 3.495764350000000e-14 4.047432055000000e-14 8.704154956989248e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 2.159135170000000e-14 2.710802875000000e-14 5.829683602150537e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -5.869130370000000e-15 -3.524533200000006e-16 -7.579641290322595e-03 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -2.993594680000000e-15 2.523082369999999e-15 5.425983591397848e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -2.993594680000000e-15 2.523082369999999e-15 5.425983591397848e-02 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 2.477202460000000e-14 3.028870165000000e-14 6.513699279569893e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -6.746015500000000e-15 -1.229338450000001e-15 -2.643738602150539e-02 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -5.802071840000000e-15 -2.853947900000004e-16 -6.137522365591407e-03 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -5.802071840000000e-15 -2.853947900000004e-16 -6.137522365591407e-03 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -6.746015500000000e-15 -1.229338450000001e-15 -2.643738602150539e-02 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -5.802071840000000e-15 -2.853947900000004e-16 -6.137522365591407e-03 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] -6.746015500000000e-15 -1.229338450000001e-15 -2.643738602150539e-02 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -5.802071840000000e-15 -2.853947900000004e-16 -6.137522365591407e-03 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -5.802071840000000e-15 -2.853947900000004e-16 -6.137522365591407e-03 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -1.052234140000000e-14 -5.005664350000001e-15 -1.076486956989248e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] -6.746015500000000e-15 -1.229338450000001e-15 -2.643738602150539e-02 PASS
spack_intel-2023a_serial_omp 2.159135170000000e-14 2.710802875000000e-14 5.829683602150537e-01 PASS
spack_intel-2022a_impi_omp 1.894455650000000e-14 2.446123355000000e-14 5.260480333333333e-01 PASS
spack_foss-2022a_cuda_mpi_omp -4.923562870000000e-14 -4.371895165000000e-14 -9.401925086021505e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 1.894455650000000e-14 2.446123355000000e-14 5.260480333333333e-01 PASS
spack_foss-2023a_valgrind -3.297108010000000e-15 2.219569039999999e-15 4.773266752688170e-02 PASS
spack_foss-2022a_cuda_serial -3.848022460000000e-14 -3.296354755000000e-14 -7.088934956989248e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -3.848022460000000e-14 -3.296354755000000e-14 -7.088934956989248e-01 PASS
GCI_foss_valgrind_autotools: [foss2023a-serial] -2.107269250000000e-15 3.409407799999999e-15 7.332059784946235e-02 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -4.923562870000000e-14 -4.371895165000000e-14 -9.401925086021505e-01 PASS