Match comparison for Benzene Multipoles [step 20] (match type 20286)
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.094497332627963e-02 | 9.000000000000000e-07 | -2.094508926210974e-02 | 5.243708702032894e-15 | -2.094508926211181e-02 | 1.016374484574811e-14 | PASS |
Checks for this match
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Detailed information
Reference: -0.020944973326279627, precision: 0.0000009| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -2.094508926211863e-02 | -1.159358390054321e-07 | -1.288175988949246e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -2.094508926211863e-02 | -1.159358390054321e-07 | -1.288175988949246e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -2.094508926210924e-02 | -1.159358296171087e-07 | -1.288175884634541e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -2.094508926211413e-02 | -1.159358344986205e-07 | -1.288175938873562e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -2.094508926210506e-02 | -1.159358254329557e-07 | -1.288175838143952e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -2.094508926210506e-02 | -1.159358254329557e-07 | -1.288175838143952e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -2.094508926210506e-02 | -1.159358254329557e-07 | -1.288175838143952e-01 | PASS |
| intel-serial: [intel2023a-serial] | -2.094508926212197e-02 | -1.159358423465096e-07 | -1.288176026072329e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -2.094508926210506e-02 | -1.159358254329557e-07 | -1.288175838143952e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.094508926210506e-02 | -1.159358254329557e-07 | -1.288175838143952e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -2.094508926210506e-02 | -1.159358254329557e-07 | -1.288175838143952e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -2.094508926210506e-02 | -1.159358254329557e-07 | -1.288175838143952e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -2.094508926210506e-02 | -1.159358254329557e-07 | -1.288175838143952e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -2.094508926211160e-02 | -1.159358319693937e-07 | -1.288175910771041e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -2.094508926210506e-02 | -1.159358254329557e-07 | -1.288175838143952e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.094508926211252e-02 | -1.159358328922666e-07 | -1.288175921025185e-01 | PASS |
| intel-omp: [intel2023a-serial] | -2.094508926211630e-02 | -1.159358366704943e-07 | -1.288175963005493e-01 | PASS |
| intel-omp: [intel2022a-serial] | -2.094508926211630e-02 | -1.159358366704943e-07 | -1.288175963005493e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.094508926211252e-02 | -1.159358328922666e-07 | -1.288175921025185e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -2.094508926210165e-02 | -1.159358220190199e-07 | -1.288175800211332e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -2.094508926211252e-02 | -1.159358328922666e-07 | -1.288175921025185e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -2.094508926211252e-02 | -1.159358328922666e-07 | -1.288175921025185e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -2.094508926210495e-02 | -1.159358253254028e-07 | -1.288175836948920e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -2.094508926211170e-02 | -1.159358320734771e-07 | -1.288175911927524e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -2.094508926210495e-02 | -1.159358253254028e-07 | -1.288175836948920e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -2.094508926211252e-02 | -1.159358328922666e-07 | -1.288175921025185e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -2.094508926210495e-02 | -1.159358253254028e-07 | -1.288175836948920e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -2.094508926210495e-02 | -1.159358253254028e-07 | -1.288175836948920e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -2.094508926211217e-02 | -1.159358325453219e-07 | -1.288175917170244e-01 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -2.094508926211208e-02 | -1.159358324481774e-07 | -1.288175916090860e-01 | PASS |