Match comparison for Multipoles [step 52] (match type 31025)
Commits >
Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 >
Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.817238054773396e-03 | 6.510000000000000e-14 | -3.817238054778720e-03 | 3.381513913998101e-14 | -3.817238054773396e-03 | 5.915602209471960e-14 | PASS |
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Detailed information
Reference: -0.003817238054773396, precision: 0.0000000000000651| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -3.817238054825424e-03 | -5.202782649149640e-14 | -7.991985636174562e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.817238054783866e-03 | -1.047035722012701e-14 | -1.608349803398927e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -3.817238054804279e-03 | -3.088328204281510e-14 | -4.743975736223517e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -3.817238054721474e-03 | 5.192200835946181e-14 | 7.975730930792906e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.817238054789367e-03 | -1.597073168158047e-14 | -2.453261395020042e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -3.817238054824266e-03 | -5.087033225215087e-14 | -7.814183141651441e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -3.817238054789367e-03 | -1.597073168158047e-14 | -2.453261395020042e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.817238054789367e-03 | -1.597073168158047e-14 | -2.453261395020042e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -3.817238054789367e-03 | -1.597073168158047e-14 | -2.453261395020042e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -3.817238054789367e-03 | -1.597073168158047e-14 | -2.453261395020042e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.817238054744662e-03 | 2.873395965607983e-14 | 4.413818687569867e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -3.817238054789367e-03 | -1.597073168158047e-14 | -2.453261395020042e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -3.817238054744662e-03 | 2.873395965607983e-14 | 4.413818687569867e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.817238054832552e-03 | -5.915623893515409e-14 | -9.086979867151167e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.817238054810567e-03 | -3.717122096236203e-14 | -5.709864971176963e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.817238054789367e-03 | -1.597073168158047e-14 | -2.453261395020042e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -3.817238054753691e-03 | 1.970472396362055e-14 | 3.026839318528503e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.817238054832552e-03 | -5.915623893515409e-14 | -9.086979867151167e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.817238054800168e-03 | -2.677155372388107e-14 | -4.112373843914143e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.817238054800168e-03 | -2.677155372388107e-14 | -4.112373843914143e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -3.817238054800168e-03 | -2.677155372388107e-14 | -4.112373843914143e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -3.817238054789470e-03 | -1.607351404753210e-14 | -2.469049776886652e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.817238054789125e-03 | -1.572917143755070e-14 | -2.416155366751260e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.817238054714240e-03 | 5.915580525428510e-14 | 9.086913249506160e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.817238054714240e-03 | 5.915580525428510e-14 | 9.086913249506160e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -3.817238054789470e-03 | -1.607351404753210e-14 | -2.469049776886652e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -3.817238054714240e-03 | 5.915580525428510e-14 | 9.086913249506160e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -3.817238054714240e-03 | 5.915580525428510e-14 | 9.086913249506160e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -3.817238054787853e-03 | -1.445718544879071e-14 | -2.220765813946346e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.817238054776754e-03 | -3.357557287753110e-15 | -5.157538076425669e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.817238054770695e-03 | 2.700964452095889e-15 | 4.148946931022870e-02 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.817238054776202e-03 | -2.805915222392485e-15 | -4.310161631939302e-02 | PASS |
| valgrind: [foss2023a-serial] | -3.817238054757182e-03 | 1.621402664908622e-14 | 2.490633893868851e-01 | PASS |