Match comparison for Multipoles [step 83] (match type 30956)
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 5.517961618275108e-04 | 1.210000000000000e-13 | 5.517961618097069e-04 | 7.917429124719645e-14 | 5.517961618275108e-04 | 1.099807636455175e-13 | PASS |
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Detailed information
Reference: 0.0005517961618275108, precision: 0.000000000000121| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | 5.517961618661694e-04 | 3.865852950257764e-14 | 3.194919793601458e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 5.517961617739427e-04 | -5.356815251794655e-14 | -4.427120042805501e-01 | PASS |
| foss-ppc: [foss2022a-serial] | 5.517961619201828e-04 | 9.267196385276399e-14 | 7.658839987831736e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 5.517961617271905e-04 | -1.003203596583457e-13 | -8.290938814739318e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | 5.517961619222810e-04 | 9.477022031717519e-14 | 7.832249612989686e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | 5.517961617327049e-04 | -9.480589056864996e-14 | -7.835197567657023e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | 5.517961617327049e-04 | -9.480589056864996e-14 | -7.835197567657023e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 5.517961617175301e-04 | -1.099807094354088e-13 | -9.089314829372631e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 5.517961617175301e-04 | -1.099807094354088e-13 | -9.089314829372631e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | 5.517961617327049e-04 | -9.480589056864996e-14 | -7.835197567657023e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 5.517961617327049e-04 | -9.480589056864996e-14 | -7.835197567657023e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | 5.517961617327049e-04 | -9.480589056864996e-14 | -7.835197567657023e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | 5.517961617327049e-04 | -9.480589056864996e-14 | -7.835197567657023e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | 5.517961619374916e-04 | 1.099808178556261e-13 | 9.089323789721164e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 5.517961617327049e-04 | -9.480589056864996e-14 | -7.835197567657023e-01 | PASS |
| intel-serial: [intel2023a-serial] | 5.517961619330924e-04 | 1.055815591205489e-13 | 8.725748687648670e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 5.517961619374916e-04 | 1.099808178556261e-13 | 9.089323789721164e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 5.517961617966483e-04 | -3.086257378132062e-14 | -2.550625932340548e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | 5.517961617459836e-04 | -8.152723288135100e-14 | -6.737787841433968e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 5.517961617555479e-04 | -7.196294341677012e-14 | -5.947350695600837e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 5.517961617461357e-04 | -8.137511931655128e-14 | -6.725216472442255e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 5.517961617555479e-04 | -7.196294341677012e-14 | -5.947350695600837e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 5.517961617555479e-04 | -7.196294341677012e-14 | -5.947350695600837e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 5.517961618434159e-04 | 1.590502902992785e-14 | 1.314465209084947e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | 5.517961617461357e-04 | -8.137511931655128e-14 | -6.725216472442255e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 5.517961618434159e-04 | 1.590502902992785e-14 | 1.314465209084947e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 5.517961618434159e-04 | 1.590502902992785e-14 | 1.314465209084947e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 5.517961618434159e-04 | 1.590502902992785e-14 | 1.314465209084947e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | 5.517961618489789e-04 | 2.146807037695098e-14 | 1.774220692309998e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 5.517961618672371e-04 | 3.972625180204137e-14 | 3.283161305953832e-01 | PASS |
| valgrind: [foss2023a-serial] | 5.517961619224864e-04 | 9.497556820864395e-14 | 7.849220513111070e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 5.517961619071781e-04 | 7.966728405445211e-14 | 6.584073062351415e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 5.517961619174025e-04 | 8.989163580164217e-14 | 7.429060810053072e-01 | PASS |