Match comparison for Benzene Multipoles [step 20] (match type 20286)
Commits >
Commit 119356330ffc33ec037b7259f31bc868121af1f1 >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.094497332627963e-02 | 9.000000000000000e-07 | -2.094508891117084e-02 | 6.657529589430215e-15 | -2.094508891117657e-02 | 1.189152942782101e-14 | PASS |
Checks for this match
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Detailed information
Reference: -0.020944973326279627, precision: 0.0000009| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -2.094508891116567e-02 | -1.155848860408260e-07 | -1.284276511564733e-01 | PASS |
| spack_foss-2023a_serial_min | -2.094508891116567e-02 | -1.155848860408260e-07 | -1.284276511564733e-01 | PASS |
| spack_foss-2022a_serial_opt | -2.094508891116567e-02 | -1.155848860408260e-07 | -1.284276511564733e-01 | PASS |
| spack_foss-2022a_serial | -2.094508891116567e-02 | -1.155848860408260e-07 | -1.284276511564733e-01 | PASS |
| spack_foss-2022a_ppc | -2.094508891116898e-02 | -1.155848893541478e-07 | -1.284276548379420e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.094508891117046e-02 | -1.155848908321322e-07 | -1.284276564801469e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.094508891117046e-02 | -1.155848908321322e-07 | -1.284276564801469e-01 | PASS |
| spack_foss-2022a_mpi_opt | -2.094508891117046e-02 | -1.155848908321322e-07 | -1.284276564801469e-01 | PASS |
| spack_foss-2022a_serial_debug | -2.094508891116567e-02 | -1.155848860408260e-07 | -1.284276511564733e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.094508891118846e-02 | -1.155849088316230e-07 | -1.284276764795811e-01 | PASS |
| spack_foss-2022a_mpi | -2.094508891117046e-02 | -1.155848908321322e-07 | -1.284276564801469e-01 | PASS |
| spack_intel-2023a_impi | -2.094508891117862e-02 | -1.155848989922714e-07 | -1.284276655469682e-01 | PASS |
| spack_foss-2022a_mpi_debug | -2.094508891117046e-02 | -1.155848908321322e-07 | -1.284276564801469e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.094508891116871e-02 | -1.155848890835309e-07 | -1.284276545372566e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.094508891116468e-02 | -1.155848850485641e-07 | -1.284276500539601e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.094508891118340e-02 | -1.155849037731693e-07 | -1.284276708590770e-01 | PASS |