Match comparison for Tot. Maxwell energy [step 300] (match type 20973)
Commits >
Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.401527129922635e-06 | 6.000000000000000e-11 | 1.401532253053752e-06 | 3.123498463612238e-20 | 1.401532253053774e-06 | 7.612708613448024e-20 | PASS |
Checks for this match
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Detailed information
Reference: 0.0000014015271299226352, precision: 0.00000000006| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 1.401532253053734e-06 | 5.123131098732183e-12 | 8.538551831220305e-02 | PASS |
| spack_foss-2022a_ppc | 1.401532253053775e-06 | 5.123131140025039e-12 | 8.538551900041733e-02 | PASS |
| cmake_foss_2022a_min_serial | 1.401532253053734e-06 | 5.123131098732183e-12 | 8.538551831220305e-02 | PASS |
| cmake_foss_2022a_min_mpi | 1.401532253053697e-06 | 5.123131062098008e-12 | 8.538551770163347e-02 | PASS |
| cmake_foss_2022a_full_mpi | 1.401532253053762e-06 | 5.123131126896028e-12 | 8.538551878160047e-02 | PASS |
| spack_foss-2022a_mpi_min | 1.401532253053762e-06 | 5.123131126896028e-12 | 8.538551878160047e-02 | PASS |
| spack_foss-2022a_mpi | 1.401532253053762e-06 | 5.123131126896028e-12 | 8.538551878160047e-02 | PASS |
| spack_foss-2022a_serial | 1.401532253053734e-06 | 5.123131098732183e-12 | 8.538551831220305e-02 | PASS |
| spack_foss-2022a_serial_min | 1.401532253053734e-06 | 5.123131098732183e-12 | 8.538551831220305e-02 | PASS |
| spack_foss-2023a_mpi | 1.401532253053762e-06 | 5.123131126896028e-12 | 8.538551878160047e-02 | PASS |
| spack_foss-2023a_mpi_min | 1.401532253053762e-06 | 5.123131126896028e-12 | 8.538551878160047e-02 | PASS |
| spack_foss-2023a_serial_min | 1.401532253053734e-06 | 5.123131098732183e-12 | 8.538551831220305e-02 | PASS |
| spack_foss-2023a_serial | 1.401532253053734e-06 | 5.123131098732183e-12 | 8.538551831220305e-02 | PASS |
| spack_foss-2023a_mpi_opt | 1.401532253053762e-06 | 5.123131126896028e-12 | 8.538551878160047e-02 | PASS |
| spack_foss-2023a_mpi_debug | 1.401532253053762e-06 | 5.123131126896028e-12 | 8.538551878160047e-02 | PASS |
| spack_foss-2023a_serial_opt | 1.401532253053734e-06 | 5.123131098732183e-12 | 8.538551831220305e-02 | PASS |
| spack_foss-2023b_serial | 1.401532253053734e-06 | 5.123131098732183e-12 | 8.538551831220305e-02 | PASS |
| spack_foss-2023a_serial_debug | 1.401532253053734e-06 | 5.123131098732183e-12 | 8.538551831220305e-02 | PASS |
| spack_foss-2023a_serial_omp | 1.401532253053850e-06 | 5.123131214352180e-12 | 8.538552023920301e-02 | PASS |
| spack_intel-2022a_serial_omp | 1.401532253053720e-06 | 5.123131084332623e-12 | 8.538551807221038e-02 | PASS |
| spack_foss-2023a_mpi_omp | 1.401532253053828e-06 | 5.123131193176357e-12 | 8.538551988627260e-02 | PASS |
| spack_intel-2023a_serial | 1.401532253053731e-06 | 5.123131095344051e-12 | 8.538551825573419e-02 | PASS |
| spack_intel-2023a_impi | 1.401532253053746e-06 | 5.123131110378886e-12 | 8.538551850631476e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.401532253053760e-06 | 5.123131124990204e-12 | 8.538551874983674e-02 | PASS |
| spack_intel-2023a_serial_omp | 1.401532253053720e-06 | 5.123131084332623e-12 | 8.538551807221038e-02 | PASS |
| spack_intel-2022a_impi_omp | 1.401532253053786e-06 | 5.123131150401193e-12 | 8.538551917335321e-02 | PASS |
| spack_foss-2022a_cuda_serial | 1.401532253053751e-06 | 5.123131115461084e-12 | 8.538551859101806e-02 | PASS |