Match comparison for Number of excited electrons [step 100] (match type 28546)
Commits >
Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 >
Input 14-silicon_shifts.03-td_parstates.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 6.185219895782357e-05 | 3.230000000000000e-09 | 6.185356641400826e-05 | 4.043924764970675e-10 | 6.185427281940603e-05 | 8.668760709262813e-10 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.00006185219895782357, precision: 0.00000000323| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 6.185343509507168e-05 | 1.236137248117331e-09 | 3.827050303768825e-01 | PASS |
| spack_foss-2022a_serial_opt | 6.185344234299617e-05 | 1.243385172600142e-09 | 3.849489698452453e-01 | PASS |
| spack_foss-2022a_serial_min | 6.185344234299617e-05 | 1.243385172600142e-09 | 3.849489698452453e-01 | PASS |
| spack_foss-2022a_serial | 6.185344234299617e-05 | 1.243385172600142e-09 | 3.849489698452453e-01 | PASS |
| foss-2022a_opt | 6.185340594333510e-05 | 1.206985511537084e-09 | 3.736797249340818e-01 | PASS |
| intel-2022b | 6.185343723458248e-05 | 1.238276758908086e-09 | 3.833674176186024e-01 | PASS |
| intel-2022a | 6.185343723458248e-05 | 1.238276758908086e-09 | 3.833674176186024e-01 | PASS |
| spack_foss-2022a_serial_omp | 6.185349196796697e-05 | 1.293010143399442e-09 | 4.003127378945642e-01 | PASS |
| spack_foss-2022a_serial_debug | 6.185344234299617e-05 | 1.243385172600142e-09 | 3.849489698452453e-01 | PASS |
| foss-2022a_omp | 6.185343457509873e-05 | 1.235617275163747e-09 | 3.825440480383119e-01 | PASS |
| spack_foss-2022a_mpi | 6.185348472093066e-05 | 1.285763107095050e-09 | 3.980690734040404e-01 | PASS |
| intel-2022a_omp | 6.185349321224942e-05 | 1.294254425854291e-09 | 4.006979646607712e-01 | PASS |
| intel-2022a_impi | 6.185346301662564e-05 | 1.264058802075141e-09 | 3.913494743266690e-01 | PASS |
| cmake_foss_2022a_full_mpi | 6.185348472093066e-05 | 1.285763107095050e-09 | 3.980690734040404e-01 | PASS |
| spack_foss-2022a_mpi_omp | 6.185348713927397e-05 | 1.288181450398440e-09 | 3.988177865010651e-01 | PASS |
| eb_fosscuda-2022a | 6.185495281924025e-05 | 2.753861416682213e-09 | 8.525886738954220e-01 | PASS |
| cmake_foss_2022a_full_serial | 6.185344234299617e-05 | 1.243385172600142e-09 | 3.849489698452453e-01 | PASS |
| cmake_foss_2022a_min_serial | 6.185344234299617e-05 | 1.243385172600142e-09 | 3.849489698452453e-01 | PASS |
| foss-2022a_mpi_omp | 6.185347910475647e-05 | 1.280146932902682e-09 | 3.963303197841120e-01 | PASS |
| cmake_foss_2022a_min_mpi | 6.185348472093066e-05 | 1.285763107095050e-09 | 3.980690734040404e-01 | PASS |
| eb_foss-2022a | 6.185340594333510e-05 | 1.206985511537084e-09 | 3.736797249340818e-01 | PASS |
| eb_foss-2022b_libxc6 | 6.185344545139859e-05 | 1.246493575024488e-09 | 3.859113235369931e-01 | PASS |
| intel-2022a_omp_impi | 6.185349399906448e-05 | 1.295041240911843e-09 | 4.009415606538213e-01 | PASS |
| eb_foss-2022a_debug | 6.185340594333510e-05 | 1.206985511537084e-09 | 3.736797249340818e-01 | PASS |
| eb_foss-2022a_mpi | 6.185348656251310e-05 | 1.287604689537147e-09 | 3.986392227669187e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 6.185347326842505e-05 | 1.274310601484530e-09 | 3.945234060323621e-01 | PASS |
| eb_foss-2022a_mpi_debug | 6.185348656251310e-05 | 1.287604689537147e-09 | 3.986392227669187e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 6.185513969547696e-05 | 2.940737653389647e-09 | 9.104450939286832e-01 | PASS |
| intel-2022b_impi | 6.185346301662564e-05 | 1.264058802075141e-09 | 3.913494743266690e-01 | PASS |