Match comparison for Forces [step 1] (match type 17471)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 8.537492460197621e-02 | 6.750000000000000e-15 | 8.537492460197592e-02 | 1.538265818166344e-15 | 8.537492460197660e-02 | 2.664535259100376e-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: 0.08537492460197621, precision: 0.00000000000000675| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 8.537492460197527e-02 | -9.436895709313831e-16 | -1.398058623602049e-01 | PASS |
| cmake_foss_2022a_full_mpi | 8.537492460197704e-02 | 8.326672684688674e-16 | 1.233581138472396e-01 | PASS |
| cmake_foss_2022a_min_serial | 8.537492460197527e-02 | -9.436895709313831e-16 | -1.398058623602049e-01 | PASS |
| cmake_foss_2022a_min_mpi | 8.537492460197704e-02 | 8.326672684688674e-16 | 1.233581138472396e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 8.537492460197926e-02 | 3.053113317719180e-15 | 4.523130841065453e-01 | PASS |
| spack_foss-2022a_mpi | 8.537492460197438e-02 | -1.831867990631508e-15 | -2.713878504639272e-01 | PASS |
| spack_foss-2022a_mpi_min | 8.537492460197438e-02 | -1.831867990631508e-15 | -2.713878504639272e-01 | PASS |
| spack_foss-2022a_serial | 8.537492460197482e-02 | -1.387778780781446e-15 | -2.055968564120660e-01 | PASS |
| spack_foss-2022a_serial_min | 8.537492460197482e-02 | -1.387778780781446e-15 | -2.055968564120660e-01 | PASS |
| spack_foss-2023a_mpi | 8.537492460197438e-02 | -1.831867990631508e-15 | -2.713878504639272e-01 | PASS |
| spack_foss-2023a_mpi_min | 8.537492460197438e-02 | -1.831867990631508e-15 | -2.713878504639272e-01 | PASS |
| spack_foss-2022a_cuda_serial | 8.537492460197926e-02 | 3.053113317719180e-15 | 4.523130841065453e-01 | PASS |
| spack_foss-2023a_serial | 8.537492460197482e-02 | -1.387778780781446e-15 | -2.055968564120660e-01 | PASS |
| spack_foss-2023a_mpi_opt | 8.537492460197704e-02 | 8.326672684688674e-16 | 1.233581138472396e-01 | PASS |
| spack_foss-2023a_serial_min | 8.537492460197482e-02 | -1.387778780781446e-15 | -2.055968564120660e-01 | PASS |
| spack_foss-2023a_mpi_omp | 8.537492460197837e-02 | 2.164934898019055e-15 | 3.207310960028230e-01 | PASS |
| spack_foss-2023a_serial_opt | 8.537492460197527e-02 | -9.436895709313831e-16 | -1.398058623602049e-01 | PASS |
| spack_foss-2023a_serial_omp | 8.537492460197704e-02 | 8.326672684688674e-16 | 1.233581138472396e-01 | PASS |
| spack_foss-2023b_serial | 8.537492460197482e-02 | -1.387778780781446e-15 | -2.055968564120660e-01 | PASS |
| spack_intel-2023a_serial | 8.537492460197571e-02 | -4.996003610813204e-16 | -7.401486830834378e-02 | PASS |
| spack_intel-2022a_serial_omp | 8.537492460197615e-02 | -5.551115123125783e-17 | -8.223874256482641e-03 | PASS |
| spack_intel-2023a_impi | 8.537492460197393e-02 | -2.275957200481571e-15 | -3.371788445157883e-01 | PASS |
| spack_intel-2023a_serial_omp | 8.537492460197615e-02 | -5.551115123125783e-17 | -8.223874256482641e-03 | PASS |
| spack_intel-2022a_impi_omp | 8.537492460197749e-02 | 1.276756478318930e-15 | 1.891491078991007e-01 | PASS |