Match comparison for Multipoles [step 20] (match type 30240)
Commits >
Commit cbea69fbf625d621b43d7bf990e8d9b27d6c495d >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.020306920872538e+00 | 6.190000000000000e-07 | -2.020306851461621e+00 | 4.247362218124143e-07 | -2.020307432194756e+00 | 9.391921098611533e-07 | FAIL |
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Detailed information
Reference: -2.020306920872538, precision: 0.000000619| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | -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-2022a_ppc | -2.020306502335685e+00 | 4.185368527309663e-07 | 6.761500044119003e-01 | PASS |
| spack_foss-2022a_serial | -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_serial_opt | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
| spack_foss-2023b_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-2022a_mpi_min | -2.020307090023016e+00 | -1.691504785128473e-07 | -2.732641009900602e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.020307331422782e+00 | -4.105502435791664e-07 | -6.632475663637583e-01 | PASS |
| spack_foss-2022a_mpi | -2.020306645348920e+00 | 2.755236181428700e-07 | 4.451108532194991e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.020306669386501e+00 | 2.514860373281635e-07 | 4.062779278322513e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| spack_foss-2023a_mpi | -2.020306515387326e+00 | 4.054852120738417e-07 | 6.550649629625875e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -2.020306663412887e+00 | 2.574596509319349e-07 | 4.159283536864861e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -2.020306588622871e+00 | 3.322496664459607e-07 | 5.367522882810349e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -2.020307331422782e+00 | -4.105502435791664e-07 | -6.632475663637583e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -2.020306834911076e+00 | 8.596146150452455e-08 | 1.388715048538361e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -2.020306521049204e+00 | 3.998233335522627e-07 | 6.459181479034939e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -2.020307312412706e+00 | -3.915401682874631e-07 | -6.325366208198111e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -2.020306502335685e+00 | 4.185368527309663e-07 | 6.761500044119003e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.020306520842988e+00 | 4.000295499295703e-07 | 6.462512922933284e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.020306668252122e+00 | 2.526204161412693e-07 | 4.081105268841184e-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 |
| GCI_foss_autotools: [foss2023a-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.020306493002646e+00 | 4.278698915172185e-07 | 6.912276114979298e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -2.020308371386866e+00 | -1.450514328205088e-06 | -2.343318785468640e+00 | FAIL |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -2.020306620492372e+00 | 3.003801660739214e-07 | 4.852668272599699e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -2.020308371386866e+00 | -1.450514328205088e-06 | -2.343318785468640e+00 | FAIL |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -2.020306630156097e+00 | 2.907164411425356e-07 | 4.696549937682319e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -2.020306530636739e+00 | 3.902357992302541e-07 | 6.304294010181810e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -2.020306506090106e+00 | 4.147824315126059e-07 | 6.700847035744844e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.020306531795438e+00 | 3.890771003156601e-07 | 6.285575126262684e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.020306554979515e+00 | 3.658930229910595e-07 | 5.911034297109200e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.020307374988120e+00 | -4.541155824711041e-07 | -7.336277584347399e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -2.020306576444871e+00 | 3.444276668318480e-07 | 5.564259561096090e-01 | PASS |
| spack_intel-2023a_serial | -2.020306588622871e+00 | 3.322496664459607e-07 | 5.367522882810349e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.020306521049204e+00 | 3.998233335522627e-07 | 6.459181479034939e-01 | PASS |
| spack_intel-2023a_impi | -2.020306563786965e+00 | 3.570855726664490e-07 | 5.768749154546834e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.020306507896946e+00 | 4.129755919457523e-07 | 6.671657381999229e-01 | PASS |
| GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.020307316212469e+00 | -3.953399314582384e-07 | -6.386751719842301e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -2.020306644010538e+00 | 2.768619999926614e-07 | 4.472730209897599e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -2.020306503420365e+00 | 4.174521732736025e-07 | 6.743976951108279e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.020306507896946e+00 | 4.129755919457523e-07 | 6.671657381999229e-01 | PASS |