Match comparison for Exchange energy (match type 29032)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.014150150000000e+01 | 5.070000000000000e-07 | -1.014150126600000e+01 | 2.447529369765104e-07 | -1.014150153000000e+01 | 3.600000004766457e-07 | PASS |
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: -10.1415015, precision: 0.000000507| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -1.014150117000000e+01 | 3.300000006589698e-07 | 6.508875752642403e-01 | PASS |
| foss-serial: [foss2023a-serial] | -1.014150117000000e+01 | 3.300000006589698e-07 | 6.508875752642403e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -1.014150117000000e+01 | 3.300000006589698e-07 | 6.508875752642403e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -1.014150117000000e+01 | 3.300000006589698e-07 | 6.508875752642403e-01 | PASS |
| ppc: [foss2023a-serial] | -1.014150117000000e+01 | 3.300000006589698e-07 | 6.508875752642403e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -1.014150117000000e+01 | 3.300000006589698e-07 | 6.508875752642403e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -1.014150117000000e+01 | 3.300000006589698e-07 | 6.508875752642403e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | -1.014150117000000e+01 | 3.300000006589698e-07 | 6.508875752642403e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | -1.014150117000000e+01 | 3.300000006589698e-07 | 6.508875752642403e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -1.014150117000000e+01 | 3.300000006589698e-07 | 6.508875752642403e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -1.014150117000000e+01 | 3.300000006589698e-07 | 6.508875752642403e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -1.014150117000000e+01 | 3.300000006589698e-07 | 6.508875752642403e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -1.014150117000000e+01 | 3.300000006589698e-07 | 6.508875752642403e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -1.014150189000000e+01 | -3.900000002943216e-07 | -7.692307698112852e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -1.014150189000000e+01 | -3.900000002943216e-07 | -7.692307698112852e-01 | PASS |