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 | -2.000102100000000e-02 | 4.771918537171594e-02 | -6.677511000000000e-02 | 6.682030000000000e-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 |
| foss-serial-zen4: [foss2023a-serial] | 4.507000000000000e-05 | -6.000000000000281e-08 | -1.247401247401306e-01 | PASS |
| intel-serial: [intel2023a-serial] | 4.495000000000000e-05 | -1.800000000000017e-07 | -3.742203742203777e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 4.512000000000000e-05 | -1.000000000000160e-08 | -2.079002079002411e-02 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 4.519000000000000e-05 | 5.999999999999604e-08 | 1.247401247401165e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | 4.510000000000000e-05 | -3.000000000000479e-08 | -6.237006237007234e-02 | PASS |
| foss-parallel-zen4: [foss2023a-mpi] | 4.515000000000000e-05 | 1.999999999999642e-08 | 4.158004158003414e-02 | PASS |
| valgrind: [foss2023a-serial] | 4.508000000000000e-05 | -5.000000000000122e-08 | -1.039501039501065e-01 | PASS |
| foss-min-parallel-zen4: [foss2023a-mpi] | 4.515000000000000e-05 | 1.999999999999642e-08 | 4.158004158003414e-02 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 4.494000000000000e-05 | -1.900000000000033e-07 | -3.950103950104017e-01 | PASS |
| foss-serial: [foss2023a-serial] | 4.512000000000000e-05 | -1.000000000000160e-08 | -2.079002079002411e-02 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 4.494000000000000e-05 | -1.900000000000033e-07 | -3.950103950104017e-01 | PASS |
| ppc: [foss2023a-serial] | 4.499000000000000e-05 | -1.400000000000020e-07 | -2.910602910602953e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -1.335954100000000e-01 | -1.336405400000000e-01 | -2.778389604989605e+05 | FAIL |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 4.506000000000000e-05 | -7.000000000000441e-08 | -1.455301455301547e-01 | PASS |
| intel-serial-debug: [intel2023a-serial] | 4.495000000000000e-05 | -1.800000000000017e-07 | -3.742203742203777e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | 4.494000000000000e-05 | -1.900000000000033e-07 | -3.950103950104017e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 4.494000000000000e-05 | -1.900000000000033e-07 | -3.950103950104017e-01 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | 4.510000000000000e-05 | -3.000000000000479e-08 | -6.237006237007234e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -1.335954100000000e-01 | -1.336405400000000e-01 | -2.778389604989605e+05 | FAIL |
| foss-min-parallel: [foss2022a-mpi] | -1.335953900000000e-01 | -1.336405200000000e-01 | -2.778389189189189e+05 | FAIL |