Match comparison for Polarizability ZZ w=0.0 (match type 17723)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.205097900000000e+01 | 1.100000000000000e-05 | 1.815962770588235e+01 | 8.406279567863949e+00 | 1.102547950000000e+01 | 1.102549950000000e+01 | 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: 22.050979, precision: 0.000011| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | 2.205097900000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial: [foss2023a-serial] | 2.205097900000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | 2.205097900000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 2.205097900000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| ppc: [foss2023a-serial] | 2.205097900000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 2.205097900000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 2.205097900000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel: [intel2023a-mpi] | 2.205097900000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel: [foss2023a-mpi] | 2.205097900000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 2.205097900000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 2.205097900000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | 2.205097900000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -3.000000000000000e-06 | -2.205098200000000e+01 | -2.004634727272728e+06 | FAIL |
| intel-serial-debug: [intel2023a-serial] | 2.205097900000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | 2.205097900000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -2.000000000000000e-05 | -2.205099900000000e+01 | -2.004636272727273e+06 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -1.200000000000000e-05 | -2.205099100000000e+01 | -2.004635545454546e+06 | FAIL |