Match comparison for Born charge diff w=0.1 (match type 17713)
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.075000000000000e-02 | 2.540000000000000e-04 | -6.102457894736842e-02 | 2.372812368503224e-02 | -8.328650000000000e-02 | 3.253650000000000e-02 | FAIL |
Checks for this match
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Detailed information
Reference: -0.05075, precision: 0.000254| Run | Value | Difference | Relative difference | Status |
| foss-serial-zen4: [foss2023a-serial] | -5.075000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-serial: [intel2023a-serial] | -5.075000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | -5.075000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -5.075000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel: [intel2023a-mpi] | -5.075000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-zen4: [foss2023a-mpi] | -5.075000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel-zen4: [foss2023a-mpi] | -5.075000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -5.075000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial: [foss2023a-serial] | -5.075000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -5.075000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| ppc: [foss2023a-serial] | -5.075000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -1.158220000000000e-01 | -6.507199999999999e-02 | -2.561889763779527e+02 | FAIL |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -5.075000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-serial-debug: [intel2023a-serial] | -5.075000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel: [foss2023a-mpi] | -5.075000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -5.075000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -5.075000000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -1.158220000000000e-01 | -6.507199999999999e-02 | -2.561889763779527e+02 | FAIL |
| foss-min-parallel: [foss2022a-mpi] | -1.158230000000000e-01 | -6.507299999999999e-02 | -2.561929133858267e+02 | FAIL |