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 | 7.964951323736279e-02 | 1.209280201927257e-15 | 7.964951323736202e-02 | 3.330669073875470e-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 |
| foss-2022a_ppc | 7.964951323735869e-02 | -4.413136522884997e-15 | -9.099250562649478e-01 | PASS |
| spack_foss-2022a_serial_min | 7.964951323736269e-02 | -4.163336342344337e-16 | -8.584198644008942e-02 | PASS |
| spack_foss-2022a_serial | 7.964951323736269e-02 | -4.163336342344337e-16 | -8.584198644008942e-02 | PASS |
| foss-2022a_opt | 7.964951323736313e-02 | 2.775557561562891e-17 | 5.722799096005961e-03 | PASS |
| intel-2022b | 7.964951323736180e-02 | -1.304512053934559e-15 | -2.689715575122802e-01 | PASS |
| intel-2022a | 7.964951323736180e-02 | -1.304512053934559e-15 | -2.689715575122802e-01 | PASS |
| spack_foss-2022a_serial_omp | 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_debug | 7.964951323736269e-02 | -4.163336342344337e-16 | -8.584198644008942e-02 | PASS |
| foss-2022a_omp | 7.964951323736269e-02 | -4.163336342344337e-16 | -8.584198644008942e-02 | PASS |
| cmake_foss_2022a_full_mpi | 7.964951323736402e-02 | 9.159339953157541e-16 | 1.888523701681967e-01 | PASS |
| intel-2022a_omp | 7.964951323736180e-02 | -1.304512053934559e-15 | -2.689715575122802e-01 | PASS |
| intel-2022b_impi | 7.964951323736225e-02 | -8.604228440844963e-16 | -1.774067719761848e-01 | PASS |
| intel-2022a_impi | 7.964951323736225e-02 | -8.604228440844963e-16 | -1.774067719761848e-01 | PASS |
| foss-2022a_mpi_omp | 7.964951323736313e-02 | 2.775557561562891e-17 | 5.722799096005961e-03 | PASS |
| eb_fosscuda-2022a_mpi_omp | 7.964951323736535e-02 | 2.248201624865942e-15 | 4.635467267764828e-01 | PASS |
| eb_foss-2022a | 7.964951323736269e-02 | -4.163336342344337e-16 | -8.584198644008942e-02 | PASS |
| eb_foss-2022b_libxc6 | 7.964951323736358e-02 | 4.718447854656915e-16 | 9.728758463210134e-02 | PASS |
| eb_foss-2022a_debug | 7.964951323736269e-02 | -4.163336342344337e-16 | -8.584198644008942e-02 | PASS |
| intel-2022a_omp_impi | 7.964951323736402e-02 | 9.159339953157541e-16 | 1.888523701681967e-01 | PASS |
| eb_foss-2022a_mpi | 7.964951323736402e-02 | 9.159339953157541e-16 | 1.888523701681967e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 7.964951323736225e-02 | -8.604228440844963e-16 | -1.774067719761848e-01 | PASS |
| eb_foss-2022a_mpi_debug | 7.964951323736402e-02 | 9.159339953157541e-16 | 1.888523701681967e-01 | PASS |
| eb_foss-2022a_valgrind | 7.964951323736225e-02 | -8.604228440844963e-16 | -1.774067719761848e-01 | PASS |