Match comparison for Bader value 1 (match type 22567)
Commits >
Commit 9cd8be12b3755ae83838647d0fe27e1f4e47031c >
Input 08-symmetrization_mgga.01-spg3_sym.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.601189489308860e-02 | 6.140000000000000e-13 | -3.601189489254483e-02 | 4.192725694567266e-15 | -3.601189489253910e-02 | 1.040140196195694e-14 | 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: -0.0360118948930886, precision: 0.000000000000614| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -3.601189489254150e-02 | 5.470970898535654e-13 | 8.910376056246994e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.601189489254740e-02 | 5.411990300352443e-13 | 8.814316450085412e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.601189489254740e-02 | 5.411990300352443e-13 | 8.814316450085412e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.601189489254640e-02 | 5.421982307574069e-13 | 8.830590077482198e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.601189489254640e-02 | 5.421982307574069e-13 | 8.830590077482198e-01 | PASS |
| eb_fosscuda-2022a | -3.601189489252870e-02 | 5.598993491062743e-13 | 9.118881907268310e-01 | PASS |
| eb_foss-2022a | -3.601189489254650e-02 | 5.421010862427522e-13 | 8.829007919263065e-01 | PASS |
| eb_foss-2022a_debug | -3.601189489254650e-02 | 5.421010862427522e-13 | 8.829007919263065e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.601189489254320e-02 | 5.453970608471082e-13 | 8.882688287412185e-01 | PASS |
| foss-2022a_opt | -3.601189489254650e-02 | 5.421010862427522e-13 | 8.829007919263065e-01 | PASS |
| eb_foss-2022a_mpi | -3.601189489254550e-02 | 5.431002869649149e-13 | 8.845281546659851e-01 | PASS |
| intel-2022a | -3.601189489254300e-02 | 5.455982887703215e-13 | 8.885965615151815e-01 | PASS |
| foss-2022a_omp | -3.601189489254680e-02 | 5.417957749109803e-13 | 8.824035422002936e-01 | PASS |
| intel-2022b | -3.601189489254300e-02 | 5.455982887703215e-13 | 8.885965615151815e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.601189489254890e-02 | 5.397002289520003e-13 | 8.789906008990233e-01 | PASS |
| eb_foss-2022a_mpi_debug | -3.601189489254550e-02 | 5.431002869649149e-13 | 8.845281546659851e-01 | PASS |
| intel-2022a_omp | -3.601189489254950e-02 | 5.390965451823604e-13 | 8.780074025771342e-01 | PASS |
| spack_foss-2022a_serial | -3.601189489254740e-02 | 5.411990300352443e-13 | 8.814316450085412e-01 | PASS |
| intel-2022a_impi | -3.601189489254450e-02 | 5.440994876870775e-13 | 8.861555174056637e-01 | PASS |
| intel-2022b_impi | -3.601189489254450e-02 | 5.440994876870775e-13 | 8.861555174056637e-01 | PASS |
| spack_foss-2022a_serial_debug | -3.601189489254740e-02 | 5.411990300352443e-13 | 8.814316450085412e-01 | PASS |
| spack_foss-2022a_serial_min | -3.601189489254740e-02 | 5.411990300352443e-13 | 8.814316450085412e-01 | PASS |
| foss-2022a_mpi_omp | -3.601189489254540e-02 | 5.431974314795696e-13 | 8.846863704878983e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.601189489253510e-02 | 5.535016889268718e-13 | 9.014685487408335e-01 | PASS |
| spack_foss-2022a_serial_opt | -3.601189489254740e-02 | 5.411990300352443e-13 | 8.814316450085412e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.601189489254330e-02 | 5.452999163324534e-13 | 8.881106129193053e-01 | PASS |
| intel-2022a_omp_impi | -3.601189489254540e-02 | 5.431974314795696e-13 | 8.846863704878983e-01 | PASS |