Match comparison for Multipoles [step 0] (match type 31024)
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
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 | -1.588972546710935e-16 | 1.874405142383510e-16 | -1.080199720331968e-16 | 3.656557093403647e-16 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 0.0, precision: 0.000000000000001| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -8.793284075638499e-17 | -8.793284075638499e-17 | -8.793284075638498e-02 | PASS |
| foss-serial: [foss2023a-serial] | -2.405343344130980e-16 | -2.405343344130980e-16 | -2.405343344130980e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -2.405343344130980e-16 | -2.405343344130980e-16 | -2.405343344130980e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -8.890039395319001e-17 | -8.890039395319001e-17 | -8.890039395319001e-02 | PASS |
| ppc: [foss2023a-serial] | -2.210907387677732e-16 | -2.210907387677732e-16 | -2.210907387677732e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -4.736756813735615e-16 | -4.736756813735615e-16 | -4.736756813735614e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -2.817326106328578e-16 | -2.817326106328578e-16 | -2.817326106328578e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | -8.890039395319001e-17 | -8.890039395319001e-17 | -8.890039395319001e-02 | PASS |
| foss-parallel: [foss2023a-mpi] | -2.817326106328578e-16 | -2.817326106328578e-16 | -2.817326106328578e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -2.607052199807974e-16 | -2.607052199807974e-16 | -2.607052199807974e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -2.793229233002888e-16 | -2.793229233002888e-16 | -2.793229233002887e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -2.405343344130980e-16 | -2.405343344130980e-16 | -2.405343344130980e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -9.179761266929487e-17 | -9.179761266929487e-17 | -9.179761266929486e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 2.362994718859203e-16 | 2.362994718859203e-16 | 2.362994718859203e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 2.576357373071679e-16 | 2.576357373071679e-16 | 2.576357373071679e-01 | PASS |