Match comparison for Multipoles [step 52] (match type 31025)
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.817238054777976e-03 | 6.990000000000000e-14 | -3.817238054789056e-03 | 3.634694871740211e-14 | -3.817238054777976e-03 | 6.357956695846045e-14 | PASS |
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Detailed information
Reference: -0.003817238054777976, precision: 0.0000000000000699| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -3.817238054783491e-03 | -5.514685930130270e-15 | -7.889393319213547e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.817238054841556e-03 | -6.357978379889495e-14 | -9.095820285964943e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -3.817238054745674e-03 | 3.230185216529513e-14 | 4.621151954977845e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -3.817238054816803e-03 | -3.882701452018189e-14 | -5.554651576563933e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -3.817238054746983e-03 | 3.099343698353962e-14 | 4.433968094926985e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -3.817238054822924e-03 | -4.494755262429706e-14 | -6.430265039241354e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -3.817238054822924e-03 | -4.494755262429706e-14 | -6.430265039241354e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.817238054829536e-03 | -5.155988483385165e-14 | -7.376235312425130e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.817238054829536e-03 | -5.155988483385165e-14 | -7.376235312425130e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -3.817238054822924e-03 | -4.494755262429706e-14 | -6.430265039241354e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.817238054822924e-03 | -4.494755262429706e-14 | -6.430265039241354e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -3.817238054822924e-03 | -4.494755262429706e-14 | -6.430265039241354e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.817238054822924e-03 | -4.494755262429706e-14 | -6.430265039241354e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -3.817238054714397e-03 | 6.357935011802596e-14 | 9.095758242922168e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.817238054822924e-03 | -4.494755262429706e-14 | -6.430265039241354e-01 | PASS |
| intel-serial: [intel2023a-serial] | -3.817238054768450e-03 | 9.525800287457642e-15 | 1.362775434543297e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.817238054714397e-03 | 6.357935011802596e-14 | 9.095758242922168e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.817238054791036e-03 | -1.305943200802240e-14 | -1.868302147070443e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.817238054816935e-03 | -3.895841982348713e-14 | -5.573450618524626e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -3.817238054811255e-03 | -3.327893516313907e-14 | -4.760934930348937e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -3.817238054808540e-03 | -3.056409292323536e-14 | -4.372545482580167e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.817238054811255e-03 | -3.327893516313907e-14 | -4.760934930348937e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.817238054811255e-03 | -3.327893516313907e-14 | -4.760934930348937e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -3.817238054757668e-03 | 2.030797405239149e-14 | 2.905289564004505e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -3.817238054808540e-03 | -3.056409292323536e-14 | -4.372545482580167e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.817238054757668e-03 | 2.030797405239149e-14 | 2.905289564004505e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -3.817238054757668e-03 | 2.030797405239149e-14 | 2.905289564004505e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.817238054757668e-03 | 2.030797405239149e-14 | 2.905289564004505e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -3.817238054769783e-03 | 8.192665296169466e-15 | 1.172055121054287e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.817238054772237e-03 | 5.739332620269266e-15 | 8.210776280785789e-02 | PASS |
| valgrind: [foss2023a-serial] | -3.817238054717607e-03 | 6.036881064486188e-14 | 8.636453597262072e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.817238054767993e-03 | 9.983333604246525e-15 | 1.428230844670461e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -3.817238054770466e-03 | 7.510485289241586e-15 | 1.074461414769898e-01 | PASS |