Match comparison for Born charge O ZZ w=-0.2 (match type 17716)
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 |
| -1.772797000000000e+00 | 8.860000000000000e-06 | -1.817719470588235e+00 | 9.704362788313163e-02 | -1.900082000000000e+00 | 1.272850000000000e-01 | 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: -1.772797, precision: 0.00000886| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -1.772797000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial: [foss2023a-serial] | -1.772797000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | -1.772797000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -1.772797000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| ppc: [foss2023a-serial] | -1.772797000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -1.772797000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -1.772797000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel: [intel2023a-mpi] | -1.772797000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel: [foss2023a-mpi] | -1.772797000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -1.772797000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -1.772797000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -1.772797000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -2.027345000000000e+00 | -2.545480000000000e-01 | -2.873002257336343e+04 | FAIL |
| intel-serial-debug: [intel2023a-serial] | -1.772797000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -1.772797000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -2.027367000000000e+00 | -2.545700000000000e-01 | -2.873250564334085e+04 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -2.027361000000000e+00 | -2.545640000000000e-01 | -2.873182844243792e+04 | FAIL |