Match comparison for Exchange energy (match type 30569)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.298520127000000e+01 | 6.600000000000000e-08 | -1.298520124444444e+01 | 9.558138989848787e-09 | -1.298520123000000e+01 | 1.999999987845058e-08 | 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: -12.98520127, precision: 0.000000066| Run | Value | Difference | Relative difference | Status |
| foss-serial-zen4: [foss2023a-serial] | -1.298520124000000e+01 | 2.999999892949745e-08 | 4.545454383257190e-01 | PASS |
| intel-serial: [intel2023a-serial] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss-parallel-zen4: [foss2023a-mpi] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss-min-parallel-zen4: [foss2023a-mpi] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -1.298520124000000e+01 | 2.999999892949745e-08 | 4.545454383257190e-01 | PASS |
| foss-serial: [foss2023a-serial] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -1.298520124000000e+01 | 2.999999892949745e-08 | 4.545454383257190e-01 | PASS |
| ppc: [foss2023a-serial] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -1.298520121000000e+01 | 5.999999963535174e-08 | 9.090909035659356e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| intel-serial-debug: [intel2023a-serial] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | -1.298520124000000e+01 | 2.999999892949745e-08 | 4.545454383257190e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -1.298520124000000e+01 | 2.999999892949745e-08 | 4.545454383257190e-01 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -1.298520124000000e+01 | 2.999999892949745e-08 | 4.545454383257190e-01 | PASS |