Match comparison for Number of excited electrons [step 100] (match type 28545)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 6.185219895782357e-05 | 3.230000000000000e-09 | 6.185358175476996e-05 | 4.277818411549674e-10 | 6.185422427693044e-05 | 8.143400120896871e-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 |
| eb_foss-2022a_ppc | 6.185343125136855e-05 | 1.232293544983776e-09 | 3.815150294067418e-01 | PASS |
| cmake_foss_2022a_full_serial | 6.185344043352359e-05 | 1.241475700020089e-09 | 3.843578018638047e-01 | PASS |
| cmake_foss_2022a_min_serial | 6.185344043352359e-05 | 1.241475700020089e-09 | 3.843578018638047e-01 | PASS |
| cmake_foss_2022a_full_mpi | 6.185347365605942e-05 | 1.274698235853577e-09 | 3.946434166729342e-01 | PASS |
| eb_fosscuda-2022a | 6.185503861694253e-05 | 2.839659118958338e-09 | 8.791514300180612e-01 | PASS |
| cmake_foss_2022a_min_mpi | 6.185347365605942e-05 | 1.274698235853577e-09 | 3.946434166729342e-01 | PASS |
| eb_foss-2022a_debug | 6.185341487874307e-05 | 1.215920919506175e-09 | 3.764461051102709e-01 | PASS |
| eb_foss-2022b_libxc6 | 6.185341107445286e-05 | 1.212116629289994e-09 | 3.752683062817320e-01 | PASS |
| eb_intel-2022a | 6.185340993691835e-05 | 1.210979094778963e-09 | 3.749161284145398e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 6.185346703579953e-05 | 1.268077975957738e-09 | 3.925938006061108e-01 | PASS |
| intel-2022b | 6.185340993691835e-05 | 1.210979094778963e-09 | 3.749161284145398e-01 | PASS |
| eb_intel-2022a_omp | 6.185346939807657e-05 | 1.270440252998384e-09 | 3.933251557270538e-01 | PASS |
| eb_foss-2022a_mpi_debug | 6.185348619247577e-05 | 1.287234652203040e-09 | 3.985246601247802e-01 | PASS |
| eb_intel-2022a_impi | 6.185346663417635e-05 | 1.267676352778579e-09 | 3.924694590645757e-01 | PASS |
| spack_foss-2022a_serial | 6.185344043352359e-05 | 1.241475700020089e-09 | 3.843578018638047e-01 | PASS |
| spack_foss-2022a_mpi | 6.185347365605942e-05 | 1.274698235853577e-09 | 3.946434166729342e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 6.185495628130422e-05 | 2.757323480651053e-09 | 8.536605203254034e-01 | PASS |
| spack_foss-2022a_serial_min | 6.185344043352359e-05 | 1.241475700020089e-09 | 3.843578018638047e-01 | PASS |
| intel-2022b_impi | 6.185346663417635e-05 | 1.267676352778579e-09 | 3.924694590645757e-01 | PASS |
| spack_foss-2022a_serial_debug | 6.185344043352359e-05 | 1.241475700020089e-09 | 3.843578018638047e-01 | PASS |
| spack_foss-2022a_serial_omp | 6.185349199844259e-05 | 1.293040619021468e-09 | 4.003221730716620e-01 | PASS |
| spack_foss-2022a_serial_opt | 6.185344043352359e-05 | 1.241475700020089e-09 | 3.843578018638047e-01 | PASS |
| spack_foss-2022a_mpi_omp | 6.185348459514239e-05 | 1.285637318826360e-09 | 3.980301296676039e-01 | PASS |
| eb_intel-2022a_omp_impi | 6.185349408022178e-05 | 1.295122398214943e-09 | 4.009666867538523e-01 | PASS |