Match comparison for Forces [step 20] (match type 17502)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 7.964951323736311e-02 | 4.850000000000000e-15 | 7.964951323736308e-02 | 1.252010062492509e-15 | 7.964951323736358e-02 | 3.552713678800501e-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: 0.0796495132373631, precision: 0.00000000000000485| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 7.964951323736269e-02 | -4.163336342344337e-16 | -8.584198644008942e-02 | PASS |
| cmake_foss_2022a_full_serial | 7.964951323736358e-02 | 4.718447854656915e-16 | 9.728758463210134e-02 | PASS |
| spack_foss-2022a_serial | 7.964951323736269e-02 | -4.163336342344337e-16 | -8.584198644008942e-02 | PASS |
| spack_foss-2022a_ppc | 7.964951323736003e-02 | -3.080868893334809e-15 | -6.352306996566617e-01 | PASS |
| spack_foss-2023a_mpi_min | 7.964951323736313e-02 | 2.775557561562891e-17 | 5.722799096005961e-03 | PASS |
| spack_foss-2022a_mpi_min | 7.964951323736313e-02 | 2.775557561562891e-17 | 5.722799096005961e-03 | PASS |
| spack_foss-2023a_mpi | 7.964951323736313e-02 | 2.775557561562891e-17 | 5.722799096005961e-03 | PASS |
| cmake_foss_2022a_full_mpi | 7.964951323736402e-02 | 9.159339953157541e-16 | 1.888523701681967e-01 | PASS |
| spack_foss-2022a_mpi | 7.964951323736313e-02 | 2.775557561562891e-17 | 5.722799096005961e-03 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 7.964951323736713e-02 | 4.024558464266192e-15 | 8.298058689208644e-01 | PASS |
| spack_foss-2023a_mpi_debug | 7.964951323736313e-02 | 2.775557561562891e-17 | 5.722799096005961e-03 | PASS |
| spack_foss-2023a_serial | 7.964951323736269e-02 | -4.163336342344337e-16 | -8.584198644008942e-02 | PASS |
| spack_foss-2023a_mpi_opt | 7.964951323736402e-02 | 9.159339953157541e-16 | 1.888523701681967e-01 | PASS |
| spack_foss-2022a_cuda_serial | 7.964951323736580e-02 | 2.692290834716005e-15 | 5.551115123125783e-01 | PASS |
| spack_foss-2023a_serial_debug | 7.964951323736269e-02 | -4.163336342344337e-16 | -8.584198644008942e-02 | PASS |
| spack_foss-2023a_serial_min | 7.964951323736269e-02 | -4.163336342344337e-16 | -8.584198644008942e-02 | PASS |
| spack_foss-2023a_serial_opt | 7.964951323736358e-02 | 4.718447854656915e-16 | 9.728758463210134e-02 | PASS |
| spack_foss-2023a_mpi_omp | 7.964951323736313e-02 | 2.775557561562891e-17 | 5.722799096005961e-03 | PASS |
| spack_foss-2023b_serial | 7.964951323736269e-02 | -4.163336342344337e-16 | -8.584198644008942e-02 | PASS |
| spack_foss-2023a_serial_omp | 7.964951323736225e-02 | -8.604228440844963e-16 | -1.774067719761848e-01 | PASS |
| spack_intel-2023a_serial | 7.964951323736180e-02 | -1.304512053934559e-15 | -2.689715575122802e-01 | PASS |
| spack_intel-2022a_serial_omp | 7.964951323736269e-02 | -4.163336342344337e-16 | -8.584198644008942e-02 | PASS |
| spack_intel-2023a_serial_omp | 7.964951323736269e-02 | -4.163336342344337e-16 | -8.584198644008942e-02 | PASS |
| spack_intel-2023a_impi | 7.964951323736313e-02 | 2.775557561562891e-17 | 5.722799096005961e-03 | PASS |
| spack_intel-2022a_impi_omp | 7.964951323736269e-02 | -4.163336342344337e-16 | -8.584198644008942e-02 | PASS |
| spack_foss-2023a_valgrind | 7.964951323736180e-02 | -1.304512053934559e-15 | -2.689715575122802e-01 | PASS |