Match comparison for Intersite Occupation Si2 NN8 px-px (match type 30021)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.396832900000000e-01 | 2.010000000000000e-06 | -2.398020281250000e-01 | 3.093532909397113e-04 | -2.401528000000000e-01 | 4.676999999999876e-04 | FAIL |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.23968329, precision: 0.00000201| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -2.396851000000000e-01 | -1.810000000018741e-06 | -9.004975124471349e-01 | PASS |
| foss-serial: [foss2023a-serial] | -2.396851000000000e-01 | -1.810000000018741e-06 | -9.004975124471349e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -2.396851000000000e-01 | -1.810000000018741e-06 | -9.004975124471349e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -2.396851000000000e-01 | -1.810000000018741e-06 | -9.004975124471349e-01 | PASS |
| ppc: [foss2023a-serial] | -2.396851100000000e-01 | -1.820000000013478e-06 | -9.054726368226257e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -2.396851100000000e-01 | -1.820000000013478e-06 | -9.054726368226257e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -2.396851100000000e-01 | -1.820000000013478e-06 | -9.054726368226257e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | -2.396851000000000e-01 | -1.810000000018741e-06 | -9.004975124471349e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | -2.396851100000000e-01 | -1.820000000013478e-06 | -9.054726368226257e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -2.396851100000000e-01 | -1.820000000013478e-06 | -9.054726368226257e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -2.396851000000000e-01 | -1.810000000018741e-06 | -9.004975124471349e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -2.396851000000000e-01 | -1.810000000018741e-06 | -9.004975124471349e-01 | PASS |
| intel-serial-debug: [intel2023a-serial] | -2.396851000000000e-01 | -1.810000000018741e-06 | -9.004975124471349e-01 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -2.396851000000000e-01 | -1.810000000018741e-06 | -9.004975124471349e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -2.406205000000000e-01 | -9.372099999999939e-04 | -4.662736318407930e+02 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -2.406205000000000e-01 | -9.372099999999939e-04 | -4.662736318407930e+02 | FAIL |