Match comparison for H2 Multipole z (match type 15310)
Commits >
Commit c18e6529b073b7f96582e125ea28d09e3ac5067c >
Input 30-local_multipoles.02-multipoles.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.942030529108260e-01 | 1.970000000000000e-14 | 3.942030529108306e-01 | 1.335402963664115e-15 | 3.942030529108290e-01 | 3.358424649491099e-15 | PASS |
Checks for this match
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Detailed information
Reference: 0.394203052910826, precision: 0.0000000000000197| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 3.942030529108315e-01 | 5.440092820663267e-15 | 2.761468436884907e-01 | PASS |
| spack_foss-2023a_serial_opt | 3.942030529108304e-01 | 4.385380947269368e-15 | 2.226081699121507e-01 | PASS |
| spack_foss-2023a_serial_min | 3.942030529108315e-01 | 5.440092820663267e-15 | 2.761468436884907e-01 | PASS |
| spack_foss-2022a_serial | 3.942030529108315e-01 | 5.440092820663267e-15 | 2.761468436884907e-01 | PASS |
| spack_foss-2023a_serial | 3.942030529108315e-01 | 5.440092820663267e-15 | 2.761468436884907e-01 | PASS |
| spack_foss-2023b_serial | 3.942030529108315e-01 | 5.440092820663267e-15 | 2.761468436884907e-01 | PASS |
| spack_foss-2022a_ppc | 3.942030529108257e-01 | -3.330669073875470e-16 | -1.690694961358106e-02 | PASS |
| spack_foss-2022a_cuda_serial | 3.942030529108297e-01 | 3.663735981263017e-15 | 1.859764457493917e-01 | PASS |
| spack_foss-2023a_mpi_min | 3.942030529108309e-01 | 4.884981308350689e-15 | 2.479685943325223e-01 | PASS |
| spack_foss-2022a_mpi_min | 3.942030529108309e-01 | 4.884981308350689e-15 | 2.479685943325223e-01 | PASS |
| spack_foss-2023a_serial_omp | 3.942030529108310e-01 | 4.996003610813204e-15 | 2.536042442037160e-01 | PASS |
| spack_foss-2023a_serial_debug | 3.942030529108315e-01 | 5.440092820663267e-15 | 2.761468436884907e-01 | PASS |
| spack_foss-2023a_mpi_opt | 3.942030529108312e-01 | 5.218048215738236e-15 | 2.648755439461034e-01 | PASS |
| spack_foss-2022a_mpi | 3.942030529108309e-01 | 4.884981308350689e-15 | 2.479685943325223e-01 | PASS |
| spack_foss-2023a_mpi | 3.942030529108309e-01 | 4.884981308350689e-15 | 2.479685943325223e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 3.942030529108307e-01 | 4.718447854656915e-15 | 2.395151195257317e-01 | PASS |
| spack_foss-2023a_mpi_debug | 3.942030529108309e-01 | 4.884981308350689e-15 | 2.479685943325223e-01 | PASS |
| spack_foss-2023a_mpi_omp | 3.942030529108314e-01 | 5.329070518200751e-15 | 2.705111938172970e-01 | PASS |
| cmake_foss_2022a_full_serial | 3.942030529108304e-01 | 4.385380947269368e-15 | 2.226081699121507e-01 | PASS |
| cmake_foss_2022a_min_serial | 3.942030529108304e-01 | 4.385380947269368e-15 | 2.226081699121507e-01 | PASS |
| spack_intel-2023a_serial | 3.942030529108283e-01 | 2.275957200481571e-15 | 1.155308223594706e-01 | PASS |
| cmake_foss_2022a_min_mpi | 3.942030529108318e-01 | 5.773159728050814e-15 | 2.930537933020718e-01 | PASS |
| cmake_foss_2022a_full_mpi | 3.942030529108312e-01 | 5.218048215738236e-15 | 2.648755439461034e-01 | PASS |
| spack_intel-2022a_impi_omp | 3.942030529108323e-01 | 6.272760089132134e-15 | 3.184142177224434e-01 | PASS |
| spack_intel-2022a_serial_omp | 3.942030529108290e-01 | 2.997602166487923e-15 | 1.521625465222296e-01 | PASS |
| spack_intel-2023a_serial_omp | 3.942030529108290e-01 | 2.997602166487923e-15 | 1.521625465222296e-01 | PASS |
| spack_intel-2023a_impi | 3.942030529108299e-01 | 3.830269434956790e-15 | 1.944299205561822e-01 | PASS |
| spack_foss-2023a_valgrind | 3.942030529108324e-01 | 6.383782391594650e-15 | 3.240498675936371e-01 | PASS |