Match comparison for Hartree energy (match type 29667)

Commits > Commit 6099f031302cffa2938f492784ba2f7b55faffa3 > Input 07-noncollinear.01-U5-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.636231627000000e+01 2.630000000000000e-04 1.636250235566667e+01 4.597180065311590e-06 1.636250801500000e+01 1.647499999890556e-05 PASS

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Detailed information

Reference: 16.36231627, precision: 0.000263
Run Value Difference Relative difference Status
foss_min_autotools: [foss2022a-serial] 1.636250235000000e+01 1.860799999988672e-04 7.075285171059588e-01 PASS
foss_min_autotools: [foss2023a-serial] 1.636250235000000e+01 1.860799999988672e-04 7.075285171059588e-01 PASS
foss_min_autotools: [foss2023b-serial] 1.636250235000000e+01 1.860799999988672e-04 7.075285171059588e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 1.636250219000000e+01 1.859199999998395e-04 7.069201520906446e-01 PASS
foss_opt_autotools: [foss2023a-serial] 1.636250235000000e+01 1.860799999988672e-04 7.075285171059588e-01 PASS
foss_autotools: [foss2022a-serial] 1.636250235000000e+01 1.860799999988672e-04 7.075285171059588e-01 PASS
foss_autotools: [foss2023a-serial] 1.636250235000000e+01 1.860799999988672e-04 7.075285171059588e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 1.636250235000000e+01 1.860799999988672e-04 7.075285171059588e-01 PASS
intel_autotools: [intel2023a-serial] 1.636250151000000e+01 1.852400000004195e-04 7.043346007620513e-01 PASS
foss_autotools: [foss2023b-serial] 1.636250235000000e+01 1.860799999988672e-04 7.075285171059588e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 1.636250235000000e+01 1.860799999988672e-04 7.075285171059588e-01 PASS
foss_omp_autotools: [foss2023a-serial] 1.636250249000000e+01 1.862199999997927e-04 7.080608365011128e-01 PASS
foss_cmake_mpi_min: [foss2022a-mpi] 1.636250219000000e+01 1.859199999998395e-04 7.069201520906446e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 1.636250219000000e+01 1.859199999998395e-04 7.069201520906446e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 1.636250219000000e+01 1.859199999998395e-04 7.069201520906446e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 1.636250219000000e+01 1.859199999998395e-04 7.069201520906446e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 1.636250219000000e+01 1.859199999998395e-04 7.069201520906446e-01 PASS
intel_omp_autotools: [intel2022a-serial] 1.636250046000000e+01 1.841899999988073e-04 7.003422053186588e-01 PASS
foss_debug_autotools: [foss2023a-serial] 1.636250235000000e+01 1.860799999988672e-04 7.075285171059588e-01 PASS
foss_cmake_mpi_min: [foss2023a-mpi] 1.636250219000000e+01 1.859199999998395e-04 7.069201520906446e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 1.636250219000000e+01 1.859199999998395e-04 7.069201520906446e-01 PASS
intel_omp_autotools: [intel2023a-serial] 1.636249788000000e+01 1.816099999984999e-04 6.905323193859313e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 1.636250219000000e+01 1.859199999998395e-04 7.069201520906446e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 1.636250136000000e+01 1.850899999986666e-04 7.037642585500631e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 1.636250219000000e+01 1.859199999998395e-04 7.069201520906446e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 1.636250247000000e+01 1.861999999981379e-04 7.079847908674444e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 1.636250179000000e+01 1.855199999987178e-04 7.053992395388511e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 1.636252449000000e+01 2.082199999975387e-04 7.917110266066111e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 1.636249154000000e+01 1.752699999997276e-04 6.664258555122722e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 1.636250128000000e+01 1.850099999991528e-04 7.034600760424061e-01 PASS