Match comparison for Born charge O XX w=0.0 (match type 22433)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.941120000000000e-01 | 2.470000000000000e-05 | -4.941152777777778e-01 | 9.272453562128043e-06 | -4.941270000000000e-01 | 1.500000000001500e-05 | FAIL |
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: -0.494112, precision: 0.0000247| Run | Value | Difference | Relative difference | Status |
| foss-serial-zen4: [foss2023a-serial] | -4.941120000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-serial: [intel2023a-serial] | -4.941120000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | -4.941120000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -4.941120000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel: [intel2023a-mpi] | -4.941120000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-zen4: [foss2023a-mpi] | -4.941120000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel-zen4: [foss2023a-mpi] | -4.941120000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -4.941120000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial: [foss2023a-serial] | -4.941120000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -4.941120000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| ppc: [foss2023a-serial] | -4.941120000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -4.941420000000000e-01 | -3.000000000003000e-05 | -1.214574898786640e+00 | FAIL |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -4.941120000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-serial-debug: [intel2023a-serial] | -4.941120000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel: [foss2023a-mpi] | -4.941120000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -4.941120000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -4.941120000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -4.941410000000000e-01 | -2.900000000000125e-05 | -1.174089068825961e+00 | FAIL |