Match comparison for Bader value 2 (match type 22568)
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
Input 08-symmetrization_mgga.01-spg3_sym.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.938005341481400e-02 | 7.620000000000000e-13 | -5.937999980025048e-02 | 9.177963747754240e-15 | -5.937999980024200e-02 | 2.259997744502584e-14 | FAIL |
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: -0.059380053414814005, precision: 0.000000000000762| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -5.937999980025560e-02 | 5.361455840402485e-08 | 7.036031286617434e+04 | FAIL |
| cmake_foss_2022a_full_serial | -5.937999980025150e-02 | 5.361456250491115e-08 | 7.036031824791490e+04 | FAIL |
| cmake_foss_2022a_min_serial | -5.937999980025150e-02 | 5.361456250491115e-08 | 7.036031824791490e+04 | FAIL |
| spack_foss-2022a_cuda_mpi_omp | -5.937999980021940e-02 | 5.361459460423434e-08 | 7.036036037301095e+04 | FAIL |
| cmake_foss_2022a_min_mpi | -5.937999980025050e-02 | 5.361456350411187e-08 | 7.036031955920193e+04 | FAIL |
| cmake_foss_2022a_full_mpi | -5.937999980025050e-02 | 5.361456350411187e-08 | 7.036031955920193e+04 | FAIL |
| spack_foss-2022a_serial_min | -5.937999980025150e-02 | 5.361456250491115e-08 | 7.036031824791490e+04 | FAIL |
| spack_foss-2022a_serial | -5.937999980025150e-02 | 5.361456250491115e-08 | 7.036031824791490e+04 | FAIL |
| spack_foss-2022a_mpi_min | -5.937999980025050e-02 | 5.361456350411187e-08 | 7.036031955920193e+04 | FAIL |
| spack_foss-2022a_mpi | -5.937999980025050e-02 | 5.361456350411187e-08 | 7.036031955920193e+04 | FAIL |
| spack_foss-2023a_mpi | -5.937999980025050e-02 | 5.361456350411187e-08 | 7.036031955920193e+04 | FAIL |
| spack_foss-2023a_mpi_min | -5.937999980025050e-02 | 5.361456350411187e-08 | 7.036031955920193e+04 | FAIL |
| spack_foss-2023a_mpi_debug | -5.937999980025050e-02 | 5.361456350411187e-08 | 7.036031955920193e+04 | FAIL |
| spack_foss-2023a_serial | -5.937999980025150e-02 | 5.361456250491115e-08 | 7.036031824791490e+04 | FAIL |
| spack_foss-2023a_serial_min | -5.937999980025150e-02 | 5.361456250491115e-08 | 7.036031824791490e+04 | FAIL |
| spack_foss-2022a_cuda_serial | -5.937999980022230e-02 | 5.361459170377669e-08 | 7.036035656663608e+04 | FAIL |
| spack_foss-2023a_mpi_opt | -5.937999980025050e-02 | 5.361456350411187e-08 | 7.036031955920193e+04 | FAIL |
| spack_foss-2023a_serial_debug | -5.937999980025150e-02 | 5.361456250491115e-08 | 7.036031824791490e+04 | FAIL |
| spack_foss-2023a_serial_opt | -5.937999980025150e-02 | 5.361456250491115e-08 | 7.036031824791490e+04 | FAIL |
| spack_foss-2023b_serial | -5.937999980025150e-02 | 5.361456250491115e-08 | 7.036031824791490e+04 | FAIL |
| spack_foss-2023a_serial_omp | -5.937999980025050e-02 | 5.361456350411187e-08 | 7.036031955920193e+04 | FAIL |
| spack_foss-2023a_mpi_omp | -5.937999980025020e-02 | 5.361456380248431e-08 | 7.036031995076680e+04 | FAIL |
| spack_intel-2023a_serial | -5.937999980025420e-02 | 5.361455980568142e-08 | 7.036031470561866e+04 | FAIL |
| spack_intel-2022a_serial_omp | -5.937999980026460e-02 | 5.361454940427945e-08 | 7.036030105548484e+04 | FAIL |
| spack_intel-2023a_serial_omp | -5.937999980025730e-02 | 5.361455670399584e-08 | 7.036031063516515e+04 | FAIL |
| spack_intel-2023a_impi | -5.937999980025820e-02 | 5.361455580193963e-08 | 7.036030945136434e+04 | FAIL |
| spack_intel-2022a_impi_omp | -5.937999980026310e-02 | 5.361455090308054e-08 | 7.036030302241541e+04 | FAIL |