Match comparison for Exchange energy (match type 17220)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.406008400000000e-01 | 2.000000000000000e-06 | -2.406023707142857e-01 | 9.348679378535981e-07 | -2.406008150000000e-01 | 1.815000000002231e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.24060084, precision: 0.000002| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_foss-2023a_serial_min | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_foss-2023a_serial | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_foss-2022a_serial | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_foss-2023b_serial | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_foss-2022a_ppc | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_foss-2022a_mpi | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_foss-2023a_mpi | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.405990000000000e-01 | 1.840000000002950e-06 | 9.200000000014752e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.405990000000000e-01 | 1.840000000002950e-06 | 9.200000000014752e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_intel-2023a_serial | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_intel-2023a_impi | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |
| spack_foss-2023a_valgrind | -2.406026300000000e-01 | -1.790000000001513e-06 | -8.950000000007563e-01 | PASS |