Match comparison for Exchange energy (match type 3416)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.407176500000000e-01 | 3.000000000000000e-05 | -2.407227225925926e-01 | 9.454279555831148e-07 | -2.407211850000000e-01 | 1.804999999993617e-06 | 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: -0.24071765, precision: 0.00003| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| spack_foss-2022a_serial_min | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| spack_foss-2022a_serial | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| spack_foss-2023a_serial | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| spack_foss-2023b_serial | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| spack_foss-2022a_ppc | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.407193800000000e-01 | -1.730000000005338e-06 | -5.766666666684461e-02 | PASS |
| spack_foss-2023a_mpi_opt | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| spack_foss-2023a_mpi | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| spack_foss-2022a_mpi | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.407193800000000e-01 | -1.730000000005338e-06 | -5.766666666684461e-02 | PASS |
| spack_foss-2023a_mpi_debug | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| spack_intel-2023a_impi | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |
| spack_foss-2023a_valgrind | -2.407229900000000e-01 | -5.339999999992573e-06 | -1.779999999997524e-01 | PASS |