Match comparison for Forces [step 20] (match type 17472)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 7.966771527219201e-02 | 6.850000000000000e-15 | 7.966771527219141e-02 | 1.110223024625157e-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: 0.00000000000000685| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 7.966771527219008e-02 | -1.929012505286209e-15 | -2.816076650052861e-01 | PASS |
| cmake_foss_2022a_full_mpi | 7.966771527219052e-02 | -1.484923295436147e-15 | -2.167771234213353e-01 | PASS |
| cmake_foss_2022a_min_serial | 7.966771527219008e-02 | -1.929012505286209e-15 | -2.816076650052861e-01 | PASS |
| cmake_foss_2022a_min_mpi | 7.966771527219052e-02 | -1.484923295436147e-15 | -2.167771234213353e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 7.966771527219496e-02 | 2.955968803064479e-15 | 4.315282924181722e-01 | PASS |
| spack_foss-2022a_mpi | 7.966771527219141e-02 | -5.967448757360216e-16 | -8.711604025343382e-02 | PASS |
| spack_foss-2022a_mpi_min | 7.966771527219141e-02 | -5.967448757360216e-16 | -8.711604025343382e-02 | PASS |
| spack_foss-2022a_serial | 7.966771527219185e-02 | -1.526556658859590e-16 | -2.228549866948307e-02 | PASS |
| spack_foss-2022a_serial_min | 7.966771527219185e-02 | -1.526556658859590e-16 | -2.228549866948307e-02 | PASS |
| spack_foss-2023a_mpi | 7.966771527219141e-02 | -5.967448757360216e-16 | -8.711604025343382e-02 | PASS |
| spack_foss-2023a_mpi_min | 7.966771527219141e-02 | -5.967448757360216e-16 | -8.711604025343382e-02 | PASS |
| spack_foss-2022a_cuda_serial | 7.966771527219407e-02 | 2.067790383364354e-15 | 3.018672092502707e-01 | PASS |
| spack_foss-2023a_serial | 7.966771527219185e-02 | -1.526556658859590e-16 | -2.228549866948307e-02 | PASS |
| spack_foss-2023a_mpi_opt | 7.966771527219052e-02 | -1.484923295436147e-15 | -2.167771234213353e-01 | PASS |
| spack_foss-2023a_serial_min | 7.966771527219185e-02 | -1.526556658859590e-16 | -2.228549866948307e-02 | PASS |
| spack_foss-2023a_mpi_omp | 7.966771527219096e-02 | -1.040834085586084e-15 | -1.519465818373846e-01 | PASS |
| spack_foss-2023a_serial_opt | 7.966771527219008e-02 | -1.929012505286209e-15 | -2.816076650052861e-01 | PASS |
| spack_foss-2023a_serial_omp | 7.966771527219096e-02 | -1.040834085586084e-15 | -1.519465818373846e-01 | PASS |
| spack_foss-2023b_serial | 7.966771527219185e-02 | -1.526556658859590e-16 | -2.228549866948307e-02 | PASS |
| spack_intel-2023a_serial | 7.966771527219096e-02 | -1.040834085586084e-15 | -1.519465818373846e-01 | PASS |
| spack_intel-2022a_serial_omp | 7.966771527219096e-02 | -1.040834085586084e-15 | -1.519465818373846e-01 | PASS |
| spack_intel-2023a_impi | 7.966771527219185e-02 | -1.526556658859590e-16 | -2.228549866948307e-02 | PASS |
| spack_intel-2023a_serial_omp | 7.966771527219096e-02 | -1.040834085586084e-15 | -1.519465818373846e-01 | PASS |
| spack_intel-2022a_impi_omp | 7.966771527219141e-02 | -5.967448757360216e-16 | -8.711604025343382e-02 | PASS |