Match comparison for Multipoles [step 20] (match type 30244)
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Input 14-fullerene_unpacked.03-td-packed.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.020306920872538e+00 | 6.190000000000000e-07 | -2.020306820582331e+00 | 4.124865197358290e-07 | -2.020307427791667e+00 | 9.435951993097547e-07 | FAIL |
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Detailed information
Reference: -2.020306920872538, precision: 0.000000619| Run | Value | Difference | Relative difference | Status |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -2.020306502335685e+00 | 4.185368527309663e-07 | 6.761500044119003e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
| spack_foss-2022a_ppc | -2.020306502335685e+00 | 4.185368527309663e-07 | 6.761500044119003e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.020306599908017e+00 | 3.209645207391532e-07 | 5.185210351197951e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.020306675584169e+00 | 2.452883691717034e-07 | 3.962655398573560e-01 | PASS |
| spack_foss-2022a_mpi | -2.020307340907640e+00 | -4.200351018113224e-07 | -6.785704391136065e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.020307090023016e+00 | -1.691504785128473e-07 | -2.732641009900602e-01 | PASS |
| spack_foss-2022a_serial | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| spack_foss-2022a_serial_min | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| spack_foss-2023a_serial | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.020307090023016e+00 | -1.691504785128473e-07 | -2.732641009900602e-01 | PASS |
| spack_foss-2023a_mpi | -2.020306484196468e+00 | 4.366760704144212e-07 | 7.054540717518921e-01 | PASS |
| spack_foss-2023a_serial_min | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.020307154286522e+00 | -2.334139836968063e-07 | -3.770823646151960e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| spack_foss-2023b_serial | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.020307331422782e+00 | -4.105502435791664e-07 | -6.632475663637583e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -2.020307331422782e+00 | -4.105502435791664e-07 | -6.632475663637583e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.020306606186093e+00 | 3.146864449021791e-07 | 5.083787478225834e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.020306521049204e+00 | 3.998233335522627e-07 | 6.459181479034939e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.020306603457111e+00 | 3.174154272755914e-07 | 5.127874430946548e-01 | PASS |
| spack_intel-2023a_serial | -2.020306588622871e+00 | 3.322496664459607e-07 | 5.367522882810349e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -2.020306518691902e+00 | 4.021806363496694e-07 | 6.497263915180442e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -2.020306588622871e+00 | 3.322496664459607e-07 | 5.367522882810349e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -2.020306521049204e+00 | 3.998233335522627e-07 | 6.459181479034939e-01 | PASS |
| spack_intel-2023a_impi | -2.020306749495600e+00 | 1.713769384181774e-07 | 2.768609667498826e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -2.020306834911076e+00 | 8.596146150452455e-08 | 1.388715048538361e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -2.020306596935260e+00 | 3.239372774466176e-07 | 5.233235499945357e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -2.020306532702789e+00 | 3.881697487884139e-07 | 6.270916781719126e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -2.020308371386866e+00 | -1.450514328205088e-06 | -2.343318785468640e+00 | FAIL |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -2.020308371386866e+00 | -1.450514328205088e-06 | -2.343318785468640e+00 | FAIL |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -2.020306569335407e+00 | 3.515371309603665e-07 | 5.679113585789443e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -2.020306503333527e+00 | 4.175390104776966e-07 | 6.745379813856165e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] | -2.020306554109799e+00 | 3.667627392900386e-07 | 5.925084641196099e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -2.020306529025884e+00 | 3.918466537911058e-07 | 6.330317508741613e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -2.020306519405646e+00 | 4.014668921747955e-07 | 6.485733314617051e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -2.020306574116563e+00 | 3.467559750447435e-07 | 5.601873587152560e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] | -2.020306519539312e+00 | 4.013332262076119e-07 | 6.483573929040580e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.020306834911076e+00 | 8.596146150452455e-08 | 1.388715048538361e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.020306552440010e+00 | 3.684325280417511e-07 | 5.952060226845736e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.020306584387516e+00 | 3.364850220677340e-07 | 5.435945429204103e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -2.020306508863848e+00 | 4.120086902759112e-07 | 6.656036999610844e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.020306507896946e+00 | 4.129755919457523e-07 | 6.671657381999229e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.020306507896946e+00 | 4.129755919457523e-07 | 6.671657381999229e-01 | PASS |
| GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.020306523504845e+00 | 3.973676929724945e-07 | 6.419510387277779e-01 | PASS |