Match comparison for Born charge 1 ZZ w=0.0 (match type 23039)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.828300000000000e-02 | 9.140000000000001e-06 | -1.343375000000001e-03 | 4.481921536555916e-02 | 4.993549999999999e-02 | 6.821850000000000e-02 | FAIL |
Checks for this match
- GPU builders have different values.
- Precision seems too large.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.018283, precision: 0.00000914| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial: [foss2023a-serial] | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| ppc: [foss2023a-serial] | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel: [intel2023a-mpi] | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel: [foss2023a-mpi] | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-serial-debug: [intel2023a-serial] | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 1.163140000000000e-01 | 1.345970000000000e-01 | 1.472614879649890e+04 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 1.181540000000000e-01 | 1.364370000000000e-01 | 1.492746170678337e+04 | FAIL |