Match comparison for H2 Multipole x (match type 15308)
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Input 30-local_multipoles.02-multipoles.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.942030529108270e-01 | 1.970000000000000e-14 | -3.942030529108305e-01 | 1.645931376750824e-15 | -3.942030529108293e-01 | 3.219646771412954e-15 | PASS |
Checks for this match
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Detailed information
Reference: -0.394203052910827, precision: 0.0000000000000197| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -3.942030529108261e-01 | 9.436895709313831e-16 | 4.790302390514635e-02 | PASS |
| spack_foss-2022a_cuda_serial | -3.942030529108296e-01 | -2.553512956637860e-15 | -1.296199470374548e-01 | PASS |
| spack_foss-2022a_serial | -3.942030529108320e-01 | -4.940492459581947e-15 | -2.507864192681191e-01 | PASS |
| spack_foss-2022a_mpi | -3.942030529108306e-01 | -3.608224830031759e-15 | -1.831586208137949e-01 | PASS |
| spack_foss-2022a_serial_min | -3.942030529108320e-01 | -4.940492459581947e-15 | -2.507864192681191e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.942030529108306e-01 | -3.608224830031759e-15 | -1.831586208137949e-01 | PASS |
| spack_foss-2022a_mpi_opt | -3.942030529108316e-01 | -4.551914400963142e-15 | -2.310616447189412e-01 | PASS |
| spack_foss-2022a_serial_opt | -3.942030529108299e-01 | -2.831068712794149e-15 | -1.437090717154390e-01 | PASS |
| spack_foss-2022a_serial_debug | -3.942030529108320e-01 | -4.940492459581947e-15 | -2.507864192681191e-01 | PASS |
| spack_foss-2023a_serial | -3.942030529108320e-01 | -4.940492459581947e-15 | -2.507864192681191e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.942030529108307e-01 | -3.719247132494274e-15 | -1.887942706849886e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.942030529108310e-01 | -3.996802888650564e-15 | -2.028833953629728e-01 | PASS |
| spack_foss-2022a_mpi_debug | -3.942030529108306e-01 | -3.608224830031759e-15 | -1.831586208137949e-01 | PASS |
| spack_foss-2023a_serial_min | -3.942030529108320e-01 | -4.940492459581947e-15 | -2.507864192681191e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.942030529108287e-01 | -1.720845688168993e-15 | -8.735257300350216e-02 | PASS |
| spack_intel-2023a_serial | -3.942030529108280e-01 | -9.436895709313831e-16 | -4.790302390514635e-02 | PASS |
| spack_intel-2023a_serial_omp | -3.942030529108287e-01 | -1.720845688168993e-15 | -8.735257300350216e-02 | PASS |
| spack_intel-2023a_impi | -3.942030529108299e-01 | -2.831068712794149e-15 | -1.437090717154390e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.942030529108325e-01 | -5.495603971894525e-15 | -2.789646686240875e-01 | PASS |
| spack_foss-2022a_valgrind | -3.942030529108325e-01 | -5.495603971894525e-15 | -2.789646686240875e-01 | PASS |