Match comparison for Benzene Energy [step 20] (match type 30136)
Commits >
Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744565861329850e+01 | 1.870000000000000e-12 | -3.744565861329851e+01 | 7.474121282765355e-14 | -3.744565861329855e+01 | 1.527666881884215e-13 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -37.4456586132985, precision: 0.00000000000187| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -3.744565861329844e+01 | 5.684341886080801e-14 | 3.039755019294546e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.744565861329843e+01 | 6.394884621840902e-14 | 3.419724396706365e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -3.744565861329843e+01 | 6.394884621840902e-14 | 3.419724396706365e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -3.744565861329846e+01 | 4.263256414560601e-14 | 2.279816264470910e-02 | PASS |
| foss-serial-min: [foss2022a-serial] | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_autotools: [foss2023a-serial] | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_autotools: [foss2022a-serial] | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-min: [foss2023a-serial] | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_autotools: [foss2023b-serial] | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.744565861329848e+01 | 1.421085471520200e-14 | 7.599387548236366e-03 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.744565861329870e+01 | -2.060573933704291e-13 | -1.101911194494273e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.744565861329870e+01 | -2.060573933704291e-13 | -1.101911194494273e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.744565861329850e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -3.744565861329860e+01 | -1.065814103640150e-13 | -5.699540661177274e-02 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -3.744565861329848e+01 | 1.421085471520200e-14 | 7.599387548236366e-03 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -3.744565861329848e+01 | 1.421085471520200e-14 | 7.599387548236366e-03 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.744565861329843e+01 | 6.394884621840902e-14 | 3.419724396706365e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.744565861329855e+01 | -5.684341886080801e-14 | -3.039755019294546e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.744565861329848e+01 | 1.421085471520200e-14 | 7.599387548236366e-03 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.744565861329848e+01 | 1.421085471520200e-14 | 7.599387548236366e-03 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -3.744565861329848e+01 | 1.421085471520200e-14 | 7.599387548236366e-03 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -3.744565861329849e+01 | 7.105427357601002e-15 | 3.799693774118183e-03 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -3.744565861329849e+01 | 7.105427357601002e-15 | 3.799693774118183e-03 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.744565861329870e+01 | -2.060573933704291e-13 | -1.101911194494273e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -3.744565861329860e+01 | -1.065814103640150e-13 | -5.699540661177274e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.744565861329840e+01 | 9.947598300641403e-14 | 5.319571283765456e-02 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.744565861329840e+01 | 9.947598300641403e-14 | 5.319571283765456e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.744565861329849e+01 | 7.105427357601002e-15 | 3.799693774118183e-03 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.744565861329848e+01 | 1.421085471520200e-14 | 7.599387548236366e-03 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.744565861329849e+01 | 7.105427357601002e-15 | 3.799693774118183e-03 | PASS |