Match comparison for Multipoles [step 103] (match type 30957)
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.943654428896824e-03 | 1.990000000000000e-13 | 3.943654428832045e-03 | 1.432430136873801e-13 | 3.943654428868232e-03 | 1.989233430754744e-13 | FAIL |
Checks for this match
- MPI builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.003943654428896824, precision: 0.000000000000199| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | 3.943654429028394e-03 | 1.315701020354609e-13 | 6.611562916354821e-01 | PASS |
| foss-serial: [foss2023a-serial] | 3.943654429046001e-03 | 1.491775453166255e-13 | 7.496359061136961e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 3.943654429046001e-03 | 1.491775453166255e-13 | 7.496359061136961e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 3.943654428703724e-03 | -1.930998763666203e-13 | -9.703511375207049e-01 | PASS |
| ppc: [foss2023a-serial] | 3.943654429067155e-03 | 1.703316307444247e-13 | 8.559378429368075e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 3.943654428749477e-03 | -1.473465446877320e-13 | -7.404348979283015e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 3.943654428760893e-03 | -1.359311968540666e-13 | -6.830713409752092e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | 3.943654428703724e-03 | -1.930998763666203e-13 | -9.703511375207049e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | 3.943654428760893e-03 | -1.359311968540666e-13 | -6.830713409752092e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 3.943654428685249e-03 | -2.115746813857733e-13 | -1.063189353697353e+00 | FAIL |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 3.943654428725619e-03 | -1.712050640145790e-13 | -8.603269548471307e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | 3.943654428934746e-03 | 3.792192254659099e-14 | 1.905624248572411e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | 3.943654428669309e-03 | -2.275150554065242e-13 | -1.143291735711177e+00 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 3.943654428815942e-03 | -8.088148206741863e-14 | -4.064396083789881e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 3.943654428783535e-03 | -1.132887186838794e-13 | -5.692900436375846e-01 | PASS |