Match comparison for Intersite Occupation Si2 NN9 s-s (match type 30022)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.513000000000000e-05 | 4.810000000000000e-07 | -1.665996562500000e-02 | 4.419743227036286e-02 | -6.677514000000001e-02 | 6.682024000000000e-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: 0.00004513, precision: 0.000000481| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | 4.510000000000000e-05 | -3.000000000000479e-08 | -6.237006237007234e-02 | PASS |
| foss-serial: [foss2023a-serial] | 4.509000000000000e-05 | -4.000000000000639e-08 | -8.316008316009645e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | 4.509000000000000e-05 | -4.000000000000639e-08 | -8.316008316009645e-02 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 4.509000000000000e-05 | -4.000000000000639e-08 | -8.316008316009645e-02 | PASS |
| ppc: [foss2023a-serial] | 4.509000000000000e-05 | -4.000000000000639e-08 | -8.316008316009645e-02 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 4.510000000000000e-05 | -3.000000000000479e-08 | -6.237006237007234e-02 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 4.510000000000000e-05 | -3.000000000000479e-08 | -6.237006237007234e-02 | PASS |
| intel-parallel: [intel2023a-mpi] | 4.509000000000000e-05 | -4.000000000000639e-08 | -8.316008316009645e-02 | PASS |
| foss-parallel: [foss2023a-mpi] | 4.510000000000000e-05 | -3.000000000000479e-08 | -6.237006237007234e-02 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 4.510000000000000e-05 | -3.000000000000479e-08 | -6.237006237007234e-02 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | 4.509000000000000e-05 | -4.000000000000639e-08 | -8.316008316009645e-02 | PASS |
| intel-serial-debug: [intel2023a-serial] | 4.510000000000000e-05 | -3.000000000000479e-08 | -6.237006237007234e-02 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | 4.509000000000000e-05 | -4.000000000000639e-08 | -8.316008316009645e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -1.335953800000000e-01 | -1.336405100000000e-01 | -2.778388981288982e+05 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -1.335953800000000e-01 | -1.336405100000000e-01 | -2.778388981288982e+05 | FAIL |