Match comparison for Bader value 2 (match type 23700)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 09-symmetrization_gga.02-spg143_sym.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.159413732288890e-02 | 5.390000000000000e-15 | 1.159413732288853e-02 | 1.502740935929434e-15 | 1.159413732288970e-02 | 4.000272335602517e-15 | 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: 0.0115941373228889, precision: 0.00000000000000539| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| spack_foss-2022a_serial_min | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| foss-2022a_ppc | 1.159413732289370e-02 | 4.799979858027825e-15 | 8.905342964801161e-01 | PASS |
| spack_foss-2022a_serial_opt | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| spack_foss-2022a_serial | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| foss-2022a_opt | 1.159413732288900e-02 | 9.887923813067800e-17 | 1.834494213927236e-02 | PASS |
| intel-2022b | 1.159413732288710e-02 | -1.800642968063926e-15 | -3.340710515888545e-01 | PASS |
| intel-2022a | 1.159413732288710e-02 | -1.800642968063926e-15 | -3.340710515888545e-01 | PASS |
| spack_foss-2022a_serial_omp | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| cmake_foss_2022a_full_mpi | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| spack_foss-2022a_serial_debug | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| foss-2022a_omp | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| intel-2022a_omp | 1.159413732288700e-02 | -1.901256929670581e-15 | -3.527378348182896e-01 | PASS |
| intel-2022b_impi | 1.159413732288700e-02 | -1.901256929670581e-15 | -3.527378348182896e-01 | PASS |
| intel-2022a_impi | 1.159413732288700e-02 | -1.901256929670581e-15 | -3.527378348182896e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 1.159413732288570e-02 | -3.200564813177209e-15 | -5.937968113501316e-01 | PASS |
| eb_fosscuda-2022a | 1.159413732288570e-02 | -3.200564813177209e-15 | -5.937968113501316e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| foss-2022a_mpi_omp | 1.159413732288900e-02 | 9.887923813067800e-17 | 1.834494213927236e-02 | PASS |
| cmake_foss_2022a_min_mpi | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| eb_foss-2022a | 1.159413732288900e-02 | 9.887923813067800e-17 | 1.834494213927236e-02 | PASS |
| eb_foss-2022b_libxc6 | 1.159413732288890e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_debug | 1.159413732288900e-02 | 9.887923813067800e-17 | 1.834494213927236e-02 | PASS |
| intel-2022a_omp_impi | 1.159413732288710e-02 | -1.800642968063926e-15 | -3.340710515888545e-01 | PASS |
| eb_foss-2022a_mpi | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| eb_foss-2022b_libxc6_mpi | 1.159413732288890e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi_debug | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |