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 | -1.298520124700000e+01 | 7.810249495767542e-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-cmake-zen4: [foss2023a-serial, foss-min] | -1.298520124000000e+01 | 2.999999892949745e-08 | 4.545454383257190e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -1.298520124000000e+01 | 2.999999892949745e-08 | 4.545454383257190e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| intel_omp_autotools: [intel2022a-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_omp_autotools: [intel2023a-serial] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -1.298520124000000e+01 | 2.999999892949745e-08 | 4.545454383257190e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -1.298520124000000e+01 | 2.999999892949745e-08 | 4.545454383257190e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.298520125000000e+01 | 1.999999987845058e-08 | 3.030303011886452e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.298520121000000e+01 | 5.999999963535174e-08 | 9.090909035659356e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -1.298520124000000e+01 | 2.999999892949745e-08 | 4.545454383257190e-01 | PASS |