Match comparison for Born charge O ZZ w=0.1 (match type 17712)
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 |
| 1.195110000000000e-01 | 5.980000000000000e-06 | 7.046347058823529e-02 | 1.059547733389485e-01 | -1.945750000000000e-02 | 1.389685000000000e-01 | FAIL |
Checks for this match
- Precision seems too large.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.119511, precision: 0.00000598| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | 1.195110000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial: [foss2023a-serial] | 1.195110000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | 1.195110000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 1.195110000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| ppc: [foss2023a-serial] | 1.195110000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 1.195110000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 1.195110000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel: [intel2023a-mpi] | 1.195110000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel: [foss2023a-mpi] | 1.195110000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 1.195110000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 1.195110000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | 1.195110000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -1.584250000000000e-01 | -2.779360000000000e-01 | -4.647759197324415e+04 | FAIL |
| intel-serial-debug: [intel2023a-serial] | 1.195110000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | 1.195110000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -1.584260000000000e-01 | -2.779370000000000e-01 | -4.647775919732441e+04 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -1.584240000000000e-01 | -2.779350000000000e-01 | -4.647742474916388e+04 | FAIL |