Match comparison for Number of excited electrons [step 100] (match type 28546)
Commits >
Commit c18e6529b073b7f96582e125ea28d09e3ac5067c >
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 | 6.185355906134926e-05 | 3.583828518431623e-10 | 6.185425120386334e-05 | 8.355028335849113e-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 |
| spack_foss-2022a_serial_min | 6.185344043352359e-05 | 1.241475700020089e-09 | 3.843578018638047e-01 | PASS |
| spack_foss-2023a_serial_opt | 6.185344043352359e-05 | 1.241475700020089e-09 | 3.843578018638047e-01 | PASS |
| spack_foss-2023a_serial_min | 6.185344043352359e-05 | 1.241475700020089e-09 | 3.843578018638047e-01 | PASS |
| spack_foss-2022a_serial | 6.185344043352359e-05 | 1.241475700020089e-09 | 3.843578018638047e-01 | PASS |
| spack_foss-2023a_serial | 6.185344043352359e-05 | 1.241475700020089e-09 | 3.843578018638047e-01 | PASS |
| spack_foss-2023b_serial | 6.185344043352359e-05 | 1.241475700020089e-09 | 3.843578018638047e-01 | PASS |
| spack_foss-2022a_ppc | 6.185345366299666e-05 | 1.254705173092674e-09 | 3.884536139605802e-01 | PASS |
| spack_foss-2022a_cuda_serial | 6.185449759482653e-05 | 2.298637002962067e-09 | 7.116523228984729e-01 | PASS |
| spack_foss-2023a_mpi_min | 6.185347365605942e-05 | 1.274698235853577e-09 | 3.946434166729342e-01 | PASS |
| spack_foss-2022a_mpi_min | 6.185347365605942e-05 | 1.274698235853577e-09 | 3.946434166729342e-01 | PASS |
| spack_foss-2023a_serial_omp | 6.185349199844259e-05 | 1.293040619021468e-09 | 4.003221730716620e-01 | PASS |
| spack_foss-2023a_serial_debug | 6.185344043352359e-05 | 1.241475700020089e-09 | 3.843578018638047e-01 | PASS |
| spack_foss-2023a_mpi_opt | 6.185347365605942e-05 | 1.274698235853577e-09 | 3.946434166729342e-01 | PASS |
| spack_foss-2022a_mpi | 6.185347365605942e-05 | 1.274698235853577e-09 | 3.946434166729342e-01 | PASS |
| spack_foss-2023a_mpi | 6.185347365605942e-05 | 1.274698235853577e-09 | 3.946434166729342e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 6.185508670669693e-05 | 2.887748873359186e-09 | 8.940398988728131e-01 | PASS |
| spack_foss-2023a_mpi_debug | 6.185347365605942e-05 | 1.274698235853577e-09 | 3.946434166729342e-01 | PASS |
| spack_foss-2023a_mpi_omp | 6.185348459514239e-05 | 1.285637318826360e-09 | 3.980301296676039e-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 |
| spack_intel-2023a_serial | 6.185341570102976e-05 | 1.216743206189363e-09 | 3.767006830307627e-01 | PASS |
| cmake_foss_2022a_min_mpi | 6.185347365605942e-05 | 1.274698235853577e-09 | 3.946434166729342e-01 | PASS |
| cmake_foss_2022a_full_mpi | 6.185347365605942e-05 | 1.274698235853577e-09 | 3.946434166729342e-01 | PASS |
| spack_intel-2022a_impi_omp | 6.185348876858177e-05 | 1.289810758198229e-09 | 3.993222161604424e-01 | PASS |
| spack_intel-2022a_serial_omp | 6.185347664050544e-05 | 1.277682681877224e-09 | 3.955673937700383e-01 | PASS |
| spack_intel-2023a_serial_omp | 6.185347421872045e-05 | 1.275260896882457e-09 | 3.948176151338878e-01 | PASS |
| spack_intel-2023a_impi | 6.185347161929977e-05 | 1.272661476203751e-09 | 3.940128409299540e-01 | PASS |