Match comparison for Benzene Multipoles [step 20] (match type 23477)
Commits >
Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 >
Input 12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.094606295401846e-02 | 1.000000000000000e-12 | -2.094606295401688e-02 | 7.146325312636669e-15 | -2.094606295401883e-02 | 1.533842497458693e-14 | PASS |
Checks for this match
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Intel® builders have different values.
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Detailed information
Reference: -0.02094606295401846, precision: 0.000000000001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -2.094606295401655e-02 | 1.911665270526441e-15 | 1.911665270526441e-03 | PASS |
| cmake_foss_2022a_full_serial | -2.094606295401286e-02 | 5.596217933501180e-15 | 5.596217933501180e-03 | PASS |
| cmake_foss_2022a_full_mpi | -2.094606295401674e-02 | 1.720845688168993e-15 | 1.720845688168993e-03 | PASS |
| cmake_foss_2022a_min_serial | -2.094606295401286e-02 | 5.596217933501180e-15 | 5.596217933501180e-03 | PASS |
| cmake_foss_2022a_min_mpi | -2.094606295400349e-02 | 1.497066359767985e-14 | 1.497066359767985e-02 | PASS |
| spack_foss-2022a_serial_min | -2.094606295401286e-02 | 5.596217933501180e-15 | 5.596217933501180e-03 | PASS |
| spack_foss-2022a_serial | -2.094606295401286e-02 | 5.596217933501180e-15 | 5.596217933501180e-03 | PASS |
| spack_foss-2022a_mpi_min | -2.094606295401674e-02 | 1.720845688168993e-15 | 1.720845688168993e-03 | PASS |
| spack_foss-2022a_mpi | -2.094606295401674e-02 | 1.720845688168993e-15 | 1.720845688168993e-03 | PASS |
| spack_foss-2023a_mpi_min | -2.094606295401674e-02 | 1.720845688168993e-15 | 1.720845688168993e-03 | PASS |
| spack_foss-2023a_mpi | -2.094606295401674e-02 | 1.720845688168993e-15 | 1.720845688168993e-03 | PASS |
| spack_foss-2023a_serial | -2.094606295401286e-02 | 5.596217933501180e-15 | 5.596217933501180e-03 | PASS |
| spack_foss-2023a_mpi_opt | -2.094606295401674e-02 | 1.720845688168993e-15 | 1.720845688168993e-03 | PASS |
| spack_foss-2023a_serial_min | -2.094606295401286e-02 | 5.596217933501180e-15 | 5.596217933501180e-03 | PASS |
| spack_foss-2023a_mpi_debug | -2.094606295401674e-02 | 1.720845688168993e-15 | 1.720845688168993e-03 | PASS |
| spack_foss-2023a_serial_debug | -2.094606295401286e-02 | 5.596217933501180e-15 | 5.596217933501180e-03 | PASS |
| spack_foss-2023a_serial_opt | -2.094606295401286e-02 | 5.596217933501180e-15 | 5.596217933501180e-03 | PASS |
| spack_foss-2023a_serial_omp | -2.094606295401887e-02 | -4.093947403305265e-16 | -4.093947403305265e-04 | PASS |
| spack_foss-2023a_mpi_omp | -2.094606295400688e-02 | 1.157754447866921e-14 | 1.157754447866921e-02 | PASS |
| spack_foss-2023b_serial | -2.094606295401286e-02 | 5.596217933501180e-15 | 5.596217933501180e-03 | PASS |
| spack_intel-2022a_serial_omp | -2.094606295403417e-02 | -1.570618635149401e-14 | -1.570618635149401e-02 | PASS |
| spack_intel-2023a_serial | -2.094606295402481e-02 | -6.345618475123160e-15 | -6.345618475123160e-03 | PASS |
| spack_intel-2023a_serial_omp | -2.094606295403417e-02 | -1.570618635149401e-14 | -1.570618635149401e-02 | PASS |
| spack_intel-2023a_impi | -2.094606295402612e-02 | -7.660538869913580e-15 | -7.660538869913580e-03 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.094606295401204e-02 | 6.421946308066140e-15 | 6.421946308066140e-03 | PASS |
| spack_foss-2022a_cuda_serial | -2.094606295401544e-02 | 3.014949401247691e-15 | 3.014949401247691e-03 | PASS |
| spack_intel-2022a_impi_omp | -2.094606295403026e-02 | -1.179611963664229e-14 | -1.179611963664229e-02 | PASS |