Match comparison for Exchange energy (match type 28448)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.562985608000000e+01 | 7.810000000000000e-08 | -1.568132992961538e+01 | 2.073652325703184e-01 | -1.615527210500000e+01 | 5.254160250000002e-01 | FAIL |
Checks for this match
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Zen 4 builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -15.629856080000001, precision: 0.0000000781| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-full] | -1.562985608000000e+01 | 1.776356839400250e-15 | 2.274464583098912e-08 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-min] | -1.562985608000000e+01 | 1.776356839400250e-15 | 2.274464583098912e-08 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] | -1.562985608000000e+01 | 1.776356839400250e-15 | 2.274464583098912e-08 | PASS |
| foss-opt-full: [foss2023a-serial] | -1.562985608000000e+01 | 1.776356839400250e-15 | 2.274464583098912e-08 | PASS |
| foss-serial-full: [foss2023a-serial] | -1.562985608000000e+01 | 1.776356839400250e-15 | 2.274464583098912e-08 | PASS |
| foss-serial-full: [foss2023b-serial] | -1.562985608000000e+01 | 1.776356839400250e-15 | 2.274464583098912e-08 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | -1.562985608000000e+01 | 1.776356839400250e-15 | 2.274464583098912e-08 | PASS |
| foss-ppc: [foss2022a-serial] | -1.562985608000000e+01 | 1.776356839400250e-15 | 2.274464583098912e-08 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.562985608000000e+01 | 1.776356839400250e-15 | 2.274464583098912e-08 | PASS |
| foss-serial-min: [foss2023a-serial] | -1.562985609000000e+01 | -9.999999051046871e-09 | -1.280409609609074e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.562985609000000e+01 | -9.999999051046871e-09 | -1.280409609609074e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -1.562985609000000e+01 | -9.999999051046871e-09 | -1.280409609609074e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -1.562985608000000e+01 | 1.776356839400250e-15 | 2.274464583098912e-08 | PASS |
| foss-omp-full: [foss2023a-serial] | -1.562985608000000e+01 | 1.776356839400250e-15 | 2.274464583098912e-08 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -1.562985609000000e+01 | -9.999999051046871e-09 | -1.280409609609074e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.562985608000000e+01 | 1.776356839400250e-15 | 2.274464583098912e-08 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -1.562985609000000e+01 | -9.999999051046871e-09 | -1.280409609609074e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -1.562985608000000e+01 | 1.776356839400250e-15 | 2.274464583098912e-08 | PASS |
| intel-serial: [intel2023a-serial] | -1.562985609000000e+01 | -9.999999051046871e-09 | -1.280409609609074e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -1.562985609000000e+01 | -9.999999051046871e-09 | -1.280409609609074e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -1.562985609000000e+01 | -9.999999051046871e-09 | -1.280409609609074e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.562985608000000e+01 | 1.776356839400250e-15 | 2.274464583098912e-08 | PASS |
| foss-serial-min: [foss2022a-serial] | -1.668068813000000e+01 | -1.050832049999999e+00 | -1.345495582586426e+07 | FAIL |
| foss-mpi-min: [foss2022a-mpi] | -1.591734403000000e+01 | -2.874879499999992e-01 | -3.681023687580015e+06 | FAIL |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.562985609000000e+01 | -9.999999051046871e-09 | -1.280409609609074e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -1.562985608000000e+01 | 1.776356839400250e-15 | 2.274464583098912e-08 | PASS |