Match comparison for Born charge diff w=0.0 (match type 17709)
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.185000000000000e-02 | 5.920000000000000e-05 | 4.335294117647027e-05 | 2.550527271655845e-02 | -2.160350000000000e-02 | 3.345350000000000e-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: 0.01185, precision: 0.0000592| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | 1.185000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial: [foss2023a-serial] | 1.185000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | 1.185000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 1.185000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| ppc: [foss2023a-serial] | 1.185000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 1.185000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 1.185000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel: [intel2023a-mpi] | 1.185000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel: [foss2023a-mpi] | 1.185000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 1.185000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 1.185000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | 1.185000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -5.505200000000000e-02 | -6.690199999999999e-02 | -1.130101351351351e+03 | FAIL |
| intel-serial-debug: [intel2023a-serial] | 1.185000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | 1.185000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -5.505700000000000e-02 | -6.690699999999999e-02 | -1.130185810810811e+03 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -5.505400000000000e-02 | -6.690399999999999e-02 | -1.130135135135135e+03 | FAIL |