Match comparison for Multipoles [step 52] (match type 31025)
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
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 | -3.817238054776587e-03 | 3.016949491540185e-14 | -3.817238054769253e-03 | 5.501306875321799e-14 | PASS |
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Detailed information
Reference: -0.003817238054773396, precision: 0.0000000000000651| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -3.817238054789367e-03 | -1.597073168158047e-14 | -2.453261395020042e-01 | PASS |
| foss_min_autotools: [foss2023b-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_min_autotools: [foss2023a-serial] | -3.817238054789367e-03 | -1.597073168158047e-14 | -2.453261395020042e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -3.817238054789367e-03 | -1.597073168158047e-14 | -2.453261395020042e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -3.817238054789367e-03 | -1.597073168158047e-14 | -2.453261395020042e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -3.817238054789367e-03 | -1.597073168158047e-14 | -2.453261395020042e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -3.817238054789367e-03 | -1.597073168158047e-14 | -2.453261395020042e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -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_cmake: [foss2023a-mpi, foss-min-mpi] | -3.817238054714240e-03 | 5.915580525428510e-14 | 9.086913249506160e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -3.817238054714240e-03 | 5.915580525428510e-14 | 9.086913249506160e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -3.817238054714240e-03 | 5.915580525428510e-14 | 9.086913249506160e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.817238054800168e-03 | -2.677155372388107e-14 | -4.112373843914143e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.817238054800168e-03 | -2.677155372388107e-14 | -4.112373843914143e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -3.817238054810567e-03 | -3.717122096236203e-14 | -5.709864971176963e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.817238054789470e-03 | -1.607351404753210e-14 | -2.469049776886652e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -3.817238054789470e-03 | -1.607351404753210e-14 | -2.469049776886652e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -3.817238054789367e-03 | -1.597073168158047e-14 | -2.453261395020042e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -3.817238054789470e-03 | -1.607351404753210e-14 | -2.469049776886652e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -3.817238054734939e-03 | 3.845665105806084e-14 | 5.907319670977088e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.817238054789125e-03 | -1.572917143755070e-14 | -2.416155366751260e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.817238054782019e-03 | -8.623310399080708e-15 | -1.324625253315009e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.817238054789470e-03 | -1.607351404753210e-14 | -2.469049776886652e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.817238054714240e-03 | 5.915580525428510e-14 | 9.086913249506160e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.817238054785631e-03 | -1.223543835693341e-14 | -1.879483618576561e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -3.817238054787853e-03 | -1.445718544879071e-14 | -2.220765813946346e-01 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | -3.817238054765905e-03 | 7.490535969267853e-15 | 1.150619964557274e-01 | PASS |