Match comparison for Forces [step 20] (match type 17472)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 7.966771527219201e-02 | 3.980000000000000e-15 | 7.966771527219151e-02 | 1.269224308520855e-15 | 7.966771527219252e-02 | 2.442490654175344e-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: 0.079667715272192, precision: 0.00000000000000398| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 7.966771527219008e-02 | -1.929012505286209e-15 | -4.846765088658818e-01 | PASS |
| spack_foss-2022a_serial_min | 7.966771527219185e-02 | -1.526556658859590e-16 | -3.835569494622086e-02 | PASS |
| foss-2022a_ppc | 7.966771527219185e-02 | -1.526556658859590e-16 | -3.835569494622086e-02 | PASS |
| spack_foss-2022a_serial_opt | 7.966771527219008e-02 | -1.929012505286209e-15 | -4.846765088658818e-01 | PASS |
| spack_foss-2022a_serial | 7.966771527219185e-02 | -1.526556658859590e-16 | -3.835569494622086e-02 | PASS |
| foss-2022a_opt | 7.966771527219052e-02 | -1.484923295436147e-15 | -3.730963053859666e-01 | PASS |
| intel-2022b | 7.966771527219230e-02 | 2.914335439641036e-16 | 7.322450853369437e-02 | PASS |
| intel-2022a | 7.966771527219230e-02 | 2.914335439641036e-16 | 7.322450853369437e-02 | PASS |
| spack_foss-2022a_serial_omp | 7.966771527219141e-02 | -5.967448757360216e-16 | -1.499358984261361e-01 | PASS |
| cmake_foss_2022a_full_mpi | 7.966771527219052e-02 | -1.484923295436147e-15 | -3.730963053859666e-01 | PASS |
| spack_foss-2022a_serial_debug | 7.966771527219185e-02 | -1.526556658859590e-16 | -3.835569494622086e-02 | PASS |
| foss-2022a_omp | 7.966771527219141e-02 | -5.967448757360216e-16 | -1.499358984261361e-01 | PASS |
| intel-2022a_omp | 7.966771527219008e-02 | -1.929012505286209e-15 | -4.846765088658818e-01 | PASS |
| intel-2022b_impi | 7.966771527219230e-02 | 2.914335439641036e-16 | 7.322450853369437e-02 | PASS |
| intel-2022a_impi | 7.966771527219230e-02 | 2.914335439641036e-16 | 7.322450853369437e-02 | PASS |
| eb_fosscuda-2022a_mpi_omp | 7.966771527219496e-02 | 2.955968803064479e-15 | 7.427057294131858e-01 | PASS |
| eb_fosscuda-2022a | 7.966771527219496e-02 | 2.955968803064479e-15 | 7.427057294131858e-01 | PASS |
| cmake_foss_2022a_min_serial | 7.966771527219008e-02 | -1.929012505286209e-15 | -4.846765088658818e-01 | PASS |
| foss-2022a_mpi_omp | 7.966771527219185e-02 | -1.526556658859590e-16 | -3.835569494622086e-02 | PASS |
| cmake_foss_2022a_min_mpi | 7.966771527219052e-02 | -1.484923295436147e-15 | -3.730963053859666e-01 | PASS |
| eb_foss-2022a | 7.966771527219008e-02 | -1.929012505286209e-15 | -4.846765088658818e-01 | PASS |
| eb_foss-2022b_libxc6 | 7.966771527219096e-02 | -1.040834085586084e-15 | -2.615161019060513e-01 | PASS |
| eb_foss-2022a_debug | 7.966771527219008e-02 | -1.929012505286209e-15 | -4.846765088658818e-01 | PASS |
| intel-2022a_omp_impi | 7.966771527219185e-02 | -1.526556658859590e-16 | -3.835569494622086e-02 | PASS |
| eb_foss-2022a_mpi | 7.966771527219141e-02 | -5.967448757360216e-16 | -1.499358984261361e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 7.966771527219052e-02 | -1.484923295436147e-15 | -3.730963053859666e-01 | PASS |
| eb_foss-2022a_mpi_debug | 7.966771527219141e-02 | -5.967448757360216e-16 | -1.499358984261361e-01 | PASS |
| eb_foss-2022a_valgrind | 7.966771527219274e-02 | 7.355227538141662e-16 | 1.848047120136096e-01 | PASS |