Match comparison for Tot. Maxwell energy [step 300] (match type 20979)
Commits >
Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a >
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 |
| 1.401719509977955e-06 | 1.000000000000000e-12 | 1.401719509977990e-06 | 4.935168135993118e-20 | 1.401719509977986e-06 | 6.606856988583543e-20 | PASS |
Checks for this match
- MPI builders have different values.
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Detailed information
Reference: 0.0000014017195099779552, precision: 0.000000000001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 1.401719509978033e-06 | 7.750351467376848e-20 | 7.750351467376848e-08 | PASS |
| spack_foss-2023a_serial_min | 1.401719509978033e-06 | 7.750351467376848e-20 | 7.750351467376848e-08 | PASS |
| spack_foss-2022a_serial_opt | 1.401719509978033e-06 | 7.750351467376848e-20 | 7.750351467376848e-08 | PASS |
| spack_foss-2022a_serial | 1.401719509978033e-06 | 7.750351467376848e-20 | 7.750351467376848e-08 | PASS |
| spack_foss-2022a_ppc | 1.401719509978052e-06 | 9.677351422380381e-20 | 9.677351422380381e-08 | PASS |
| spack_foss-2022a_mpi_min | 1.401719509977920e-06 | -3.536362554786704e-20 | -3.536362554786704e-08 | PASS |
| spack_foss-2023a_mpi_min | 1.401719509977920e-06 | -3.536362554786704e-20 | -3.536362554786704e-08 | PASS |
| spack_foss-2022a_serial_debug | 1.401719509978033e-06 | 7.750351467376848e-20 | 7.750351467376848e-08 | PASS |
| spack_foss-2022a_mpi_opt | 1.401719509977920e-06 | -3.536362554786704e-20 | -3.536362554786704e-08 | PASS |
| spack_intel-2022a_serial_omp | 1.401719509978010e-06 | 5.505714157152952e-20 | 5.505714157152952e-08 | PASS |
| spack_foss-2022a_mpi | 1.401719509977920e-06 | -3.536362554786704e-20 | -3.536362554786704e-08 | PASS |
| spack_foss-2022a_cuda_serial | 1.401719509978014e-06 | 5.886878983417387e-20 | 5.886878983417387e-08 | PASS |
| spack_intel-2023a_impi | 1.401719509977993e-06 | 3.748120791600279e-20 | 3.748120791600279e-08 | PASS |
| spack_foss-2022a_mpi_debug | 1.401719509977920e-06 | -3.536362554786704e-20 | -3.536362554786704e-08 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.401719509978008e-06 | 5.251604272976662e-20 | 5.251604272976662e-08 | PASS |
| spack_intel-2022a_impi_omp | 1.401719509977999e-06 | 4.404571325722362e-20 | 4.404571325722362e-08 | PASS |