Match comparison for Multipoles [step 0] (match type 12077)
Commits >
Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a >
Input 14-fullerene_unpacked.03-td-packed.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.211520628226222e-03 | 5.140000000000000e-06 | -1.209349670566069e-03 | 3.953685021757837e-06 | -1.211555866671293e-03 | 4.640110029846545e-06 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -0.001211520628226222, precision: 0.00000514| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2023a_serial_min | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
| spack_foss-2022a_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2022a_ppc | -1.207161061433260e-03 | 4.359566792962394e-06 | 8.481647457125281e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.206989655173463e-03 | 4.530973052759230e-06 | 8.815122670737802e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.206989655173463e-03 | 4.530973052759230e-06 | 8.815122670737802e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
| spack_foss-2022a_mpi_opt | -1.207064246701486e-03 | 4.456381524735537e-06 | 8.670002966411551e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.207023383647005e-03 | 4.497244579217347e-06 | 8.749503072407290e-01 | PASS |
| spack_foss-2022a_mpi | -1.207191343709307e-03 | 4.329284516914550e-06 | 8.422732523180059e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.206976685432098e-03 | 4.543942794123451e-06 | 8.840355630590373e-01 | PASS |
| spack_intel-2023a_impi | -1.207183634202122e-03 | 4.336994024099977e-06 | 8.437731564396843e-01 | PASS |
| spack_foss-2022a_mpi_debug | -1.206915756641447e-03 | 4.604871584775122e-06 | 8.958894133803740e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.207188947314225e-03 | 4.331680911996922e-06 | 8.427394770422026e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.207174542246753e-03 | 4.346085979469111e-06 | 8.455420193519672e-01 | PASS |