Match comparison for Benzene Dipole Ex Field from Maxwell [step 13] (match type 23466)
Commits >
Commit ea6affb390844fd1d159151b43e705a091215c1a >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 8.132646076402673e-06 | 1.000000000000000e-10 | 8.132652692163117e-06 | 3.363256919682663e-20 | 8.132652692163127e-06 | 7.453889935837843e-20 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 0.000008132646076402673, precision: 0.0000000001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 8.132652692163103e-06 | 6.615760429718939e-12 | 6.615760429718939e-02 | PASS |
| spack_foss-2023a_serial_opt | 8.132652692163103e-06 | 6.615760429718939e-12 | 6.615760429718939e-02 | PASS |
| spack_foss-2023a_serial | 8.132652692163103e-06 | 6.615760429718939e-12 | 6.615760429718939e-02 | PASS |
| spack_foss-2023a_serial_min | 8.132652692163103e-06 | 6.615760429718939e-12 | 6.615760429718939e-02 | PASS |
| spack_foss-2023b_serial | 8.132652692163103e-06 | 6.615760429718939e-12 | 6.615760429718939e-02 | PASS |
| spack_foss-2022a_serial | 8.132652692163103e-06 | 6.615760429718939e-12 | 6.615760429718939e-02 | PASS |
| spack_foss-2022a_mpi_min | 8.132652692163123e-06 | 6.615760450047730e-12 | 6.615760450047729e-02 | PASS |
| spack_foss-2022a_ppc | 8.132652692163201e-06 | 6.615760527974761e-12 | 6.615760527974761e-02 | PASS |
| spack_foss-2023a_mpi_min | 8.132652692163123e-06 | 6.615760450047730e-12 | 6.615760450047729e-02 | PASS |
| spack_foss-2023a_serial_omp | 8.132652692163059e-06 | 6.615760385673226e-12 | 6.615760385673226e-02 | PASS |
| spack_foss-2022a_mpi | 8.132652692163123e-06 | 6.615760450047730e-12 | 6.615760450047729e-02 | PASS |
| spack_foss-2023a_mpi | 8.132652692163123e-06 | 6.615760450047730e-12 | 6.615760450047729e-02 | PASS |
| spack_foss-2023a_serial_debug | 8.132652692163103e-06 | 6.615760429718939e-12 | 6.615760429718939e-02 | PASS |
| spack_foss-2023a_mpi_debug | 8.132652692163123e-06 | 6.615760450047730e-12 | 6.615760450047729e-02 | PASS |
| spack_foss-2023a_mpi_omp | 8.132652692163106e-06 | 6.615760433107071e-12 | 6.615760433107071e-02 | PASS |
| cmake_foss_2022a_full_serial | 8.132652692163103e-06 | 6.615760429718939e-12 | 6.615760429718939e-02 | PASS |
| cmake_foss_2022a_min_serial | 8.132652692163103e-06 | 6.615760429718939e-12 | 6.615760429718939e-02 | PASS |
| cmake_foss_2022a_min_mpi | 8.132652692163052e-06 | 6.615760378896962e-12 | 6.615760378896962e-02 | PASS |
| cmake_foss_2022a_full_mpi | 8.132652692163123e-06 | 6.615760450047730e-12 | 6.615760450047729e-02 | PASS |
| spack_intel-2023a_serial | 8.132652692163154e-06 | 6.615760480540916e-12 | 6.615760480540916e-02 | PASS |
| spack_intel-2022a_impi_omp | 8.132652692163164e-06 | 6.615760490705311e-12 | 6.615760490705311e-02 | PASS |
| spack_intel-2022a_serial_omp | 8.132652692163144e-06 | 6.615760470376521e-12 | 6.615760470376521e-02 | PASS |
| spack_intel-2023a_serial_omp | 8.132652692163144e-06 | 6.615760470376521e-12 | 6.615760470376521e-02 | PASS |
| spack_intel-2023a_impi | 8.132652692163067e-06 | 6.615760394143556e-12 | 6.615760394143555e-02 | PASS |
| spack_foss-2023a_mpi_opt | 8.132652692163123e-06 | 6.615760450047730e-12 | 6.615760450047729e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 8.132652692163194e-06 | 6.615760521198498e-12 | 6.615760521198498e-02 | PASS |
| spack_foss-2022a_cuda_serial | 8.132652692163101e-06 | 6.615760428024873e-12 | 6.615760428024874e-02 | PASS |