Match comparison for Multipoles [step 0] (match type 31024)
Commits >
Commit 332f9cd714e196a805e42e2741bfb36d81a9f700 >
Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 0.000000000000000e+00 | 1.000000000000000e-15 | -2.785208504866761e-16 | 1.068557890842895e-16 | -2.478146955300887e-16 | 2.351841808801980e-16 | PASS |
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Detailed information
Reference: 0.0, precision: 0.000000000000001| Run | Value | Difference | Relative difference | Status |
| foss-serial-debug: [foss2023a-serial] | -2.405343344130980e-16 | -2.405343344130980e-16 | -2.405343344130980e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -2.405343344130980e-16 | -2.405343344130980e-16 | -2.405343344130980e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -2.418580226296328e-16 | -2.418580226296328e-16 | -2.418580226296328e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -4.727710159007055e-16 | -4.727710159007055e-16 | -4.727710159007055e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.873597849805547e-16 | -2.873597849805547e-16 | -2.873597849805546e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.265085849598720e-17 | -1.265085849598720e-17 | -1.265085849598720e-02 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -4.736756813735615e-16 | -4.736756813735615e-16 | -4.736756813735614e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.864659250361183e-16 | -2.864659250361183e-16 | -2.864659250361183e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.864659250361183e-16 | -2.864659250361183e-16 | -2.864659250361183e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -2.423456974469384e-16 | -2.423456974469384e-16 | -2.423456974469384e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -2.423456974469384e-16 | -2.423456974469384e-16 | -2.423456974469384e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -2.423456974469384e-16 | -2.423456974469384e-16 | -2.423456974469384e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -2.423456974469384e-16 | -2.423456974469384e-16 | -2.423456974469384e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.793229233002888e-16 | -2.793229233002888e-16 | -2.793229233002887e-01 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | -3.144055791674143e-16 | -3.144055791674143e-16 | -3.144055791674142e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -4.531453812514264e-16 | -4.531453812514264e-16 | -4.531453812514263e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -4.825980472527986e-16 | -4.825980472527986e-16 | -4.825980472527985e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -2.210907387677732e-16 | -2.210907387677732e-16 | -2.210907387677732e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -4.829988764102867e-16 | -4.829988764102867e-16 | -4.829988764102867e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -4.149252092652128e-16 | -4.149252092652128e-16 | -4.149252092652128e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -2.405343344130980e-16 | -2.405343344130980e-16 | -2.405343344130980e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -2.405343344130980e-16 | -2.405343344130980e-16 | -2.405343344130980e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -2.405343344130980e-16 | -2.405343344130980e-16 | -2.405343344130980e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -1.263051464989072e-17 | -1.263051464989072e-17 | -1.263051464989071e-02 | PASS |
| foss-serial-min: [foss2022a-serial] | -2.405343344130980e-16 | -2.405343344130980e-16 | -2.405343344130980e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -2.418580226296328e-16 | -2.418580226296328e-16 | -2.418580226296328e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -2.418580226296328e-16 | -2.418580226296328e-16 | -2.418580226296328e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -2.418580226296328e-16 | -2.418580226296328e-16 | -2.418580226296328e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -2.405343344130980e-16 | -2.405343344130980e-16 | -2.405343344130980e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -2.405343344130980e-16 | -2.405343344130980e-16 | -2.405343344130980e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.811161322902755e-16 | -2.811161322902755e-16 | -2.811161322902755e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -2.873597849805547e-16 | -2.873597849805547e-16 | -2.873597849805546e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.811161322902755e-16 | -2.811161322902755e-16 | -2.811161322902755e-01 | PASS |