Match comparison for Ionch [step 0] (match type 29473)
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Input 24-adsic_freeze_orbitals.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.000000000000000e+00 | 1.000000000000000e-04 | 1.000000000000000e+00 | 3.594769625318757e-16 | 9.999999999999992e-01 | 9.992007221626409e-16 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 1.0, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2022a-serial] | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| foss_min_autotools: [foss2023a-serial] | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| foss_min_autotools: [foss2023b-serial] | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 9.999999999999999e-01 | -1.110223024625157e-16 | -1.110223024625157e-12 | PASS |
| foss_autotools: [foss2022a-serial] | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| foss_autotools: [foss2023a-serial] | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 9.999999999999999e-01 | -1.110223024625157e-16 | -1.110223024625157e-12 | PASS |
| intel_autotools: [intel2023a-serial] | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| foss_autotools: [foss2023b-serial] | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 9.999999999999999e-01 | -1.110223024625157e-16 | -1.110223024625157e-12 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | 9.999999999999999e-01 | -1.110223024625157e-16 | -1.110223024625157e-12 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 9.999999999999999e-01 | -1.110223024625157e-16 | -1.110223024625157e-12 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | 9.999999999999999e-01 | -1.110223024625157e-16 | -1.110223024625157e-12 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 9.999999999999999e-01 | -1.110223024625157e-16 | -1.110223024625157e-12 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 9.999999999999999e-01 | -1.110223024625157e-16 | -1.110223024625157e-12 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | 9.999999999999982e-01 | -1.776356839400250e-15 | -1.776356839400250e-11 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 9.999999999999999e-01 | -1.110223024625157e-16 | -1.110223024625157e-12 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |