Match comparison for Exchange energy (match type 28371)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -7.519452739000000e+01 | 9.500000000000000e-07 | -7.519471061187500e+01 | 4.838014302135125e-04 | -7.519525892499999e+01 | 7.317049999997494e-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: -75.19452739, precision: 0.00000095| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -7.519452793000001e+01 | -5.400000020472362e-07 | -5.684210547865645e-01 | PASS |
| foss-serial: [foss2023a-serial] | -7.519452794999999e+01 | -5.599999894911889e-07 | -5.894736731486199e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -7.519452794999999e+01 | -5.599999894911889e-07 | -5.894736731486199e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -7.519452749000000e+01 | -9.999999406318238e-08 | -1.052631516454551e-01 | PASS |
| ppc: [foss2023a-serial] | -7.519452722000000e+01 | 1.700000069604357e-07 | 1.789473757478271e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -7.519452791000001e+01 | -5.200000003924288e-07 | -5.473684214657145e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -7.519452791000001e+01 | -5.200000003924288e-07 | -5.473684214657145e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | -7.519452749000000e+01 | -9.999999406318238e-08 | -1.052631516454551e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | -7.519452791000001e+01 | -5.200000003924288e-07 | -5.473684214657145e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -7.519452791000001e+01 | -5.200000003924288e-07 | -5.473684214657145e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -7.519452749000000e+01 | -9.999999406318238e-08 | -1.052631516454551e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -7.519452794999999e+01 | -5.599999894911889e-07 | -5.894736731486199e-01 | PASS |
| intel-serial-debug: [intel2023a-serial] | -7.519452793000001e+01 | -5.400000020472362e-07 | -5.684210547865645e-01 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -7.519452749000000e+01 | -9.999999406318238e-08 | -1.052631516454551e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -7.519599063000000e+01 | -1.463239999992538e-03 | -1.540252631571093e+03 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -7.519599063000000e+01 | -1.463239999992538e-03 | -1.540252631571093e+03 | FAIL |