Match comparison for Tot. Maxwell energy [step 300] (match type 20979)
Commits >
Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 >
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 | 1.401719509977997e-06 | 4.786432982621148e-20 | 1.401719509977995e-06 | 7.528005318722594e-20 | PASS |
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Detailed information
Reference: 0.0000014017195099779552, precision: 0.000000000001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 1.401719509978033e-06 | 7.750351467376848e-20 | 7.750351467376848e-08 | PASS |
| cmake_foss_2022a_full_mpi | 1.401719509977920e-06 | -3.536362554786704e-20 | -3.536362554786704e-08 | PASS |
| cmake_foss_2022a_min_serial | 1.401719509978033e-06 | 7.750351467376848e-20 | 7.750351467376848e-08 | PASS |
| cmake_foss_2022a_min_mpi | 1.401719509977995e-06 | 3.959879028413854e-20 | 3.959879028413854e-08 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.401719509978007e-06 | 5.209252625613947e-20 | 5.209252625613947e-08 | PASS |
| spack_foss-2022a_mpi | 1.401719509977920e-06 | -3.536362554786704e-20 | -3.536362554786704e-08 | PASS |
| spack_foss-2022a_mpi_min | 1.401719509977920e-06 | -3.536362554786704e-20 | -3.536362554786704e-08 | PASS |
| spack_foss-2022a_serial | 1.401719509978033e-06 | 7.750351467376848e-20 | 7.750351467376848e-08 | PASS |
| spack_foss-2022a_serial_min | 1.401719509978033e-06 | 7.750351467376848e-20 | 7.750351467376848e-08 | PASS |
| spack_foss-2023a_mpi | 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_cuda_serial | 1.401719509978015e-06 | 5.929230630780102e-20 | 5.929230630780102e-08 | PASS |
| spack_foss-2023a_serial | 1.401719509978033e-06 | 7.750351467376848e-20 | 7.750351467376848e-08 | PASS |
| spack_foss-2023a_mpi_opt | 1.401719509977920e-06 | -3.536362554786704e-20 | -3.536362554786704e-08 | PASS |
| spack_foss-2023a_serial_min | 1.401719509978033e-06 | 7.750351467376848e-20 | 7.750351467376848e-08 | PASS |
| spack_foss-2023a_mpi_omp | 1.401719509978070e-06 | 1.151964808265848e-19 | 1.151964808265848e-07 | PASS |
| spack_foss-2023a_serial_opt | 1.401719509978033e-06 | 7.750351467376848e-20 | 7.750351467376848e-08 | PASS |
| spack_foss-2023a_serial_omp | 1.401719509978002e-06 | 4.637505386217294e-20 | 4.637505386217294e-08 | PASS |
| spack_foss-2023b_serial | 1.401719509978033e-06 | 7.750351467376848e-20 | 7.750351467376848e-08 | PASS |
| spack_intel-2023a_serial | 1.401719509978051e-06 | 9.529120656610879e-20 | 9.529120656610879e-08 | PASS |
| spack_intel-2022a_serial_omp | 1.401719509978010e-06 | 5.505714157152952e-20 | 5.505714157152952e-08 | PASS |
| spack_intel-2023a_impi | 1.401719509977993e-06 | 3.748120791600279e-20 | 3.748120791600279e-08 | PASS |
| spack_intel-2023a_serial_omp | 1.401719509978010e-06 | 5.505714157152952e-20 | 5.505714157152952e-08 | PASS |
| spack_intel-2022a_impi_omp | 1.401719509977999e-06 | 4.404571325722362e-20 | 4.404571325722362e-08 | PASS |