Match comparison for Exchange energy (match type 30569)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.298520120000000e+01 | 6.490000000000001e-08 | -1.298520121769231e+01 | 6.389710896373061e-09 | -1.298520120500000e+01 | 1.500000035292715e-08 | PASS |
Checks for this match
- GPU builders have different values. Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -12.985201199999999, precision: 0.0000000649| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -1.298520121000000e+01 | -1.000000082740371e-08 | -1.540832176795641e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -1.298520121000000e+01 | -1.000000082740371e-08 | -1.540832176795641e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.298520119000000e+01 | 9.999999051046871e-09 | 1.540831903088886e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -1.298520122000000e+01 | -2.000000165480742e-08 | -3.081664353591282e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -1.298520121000000e+01 | -1.000000082740371e-08 | -1.540832176795641e-01 | PASS |