Match comparison for Hubbard energy (match type 28375)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 5.415745760000000e+00 | 3.000000000000000e-07 | 5.415745680833335e+00 | 9.703593259573029e-08 | 5.415745630000000e+00 | 1.899999997334589e-07 | FAIL |
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: 5.41574576, precision: 0.0000003| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 5.415745700000000e+00 | -5.999999963535174e-08 | -1.999999987845058e-01 | PASS |
| cmake_foss_2022a_full_mpi | 5.415745700000000e+00 | -5.999999963535174e-08 | -1.999999987845058e-01 | PASS |
| cmake_foss_2022a_min_serial | 5.415745700000000e+00 | -5.999999963535174e-08 | -1.999999987845058e-01 | PASS |
| cmake_foss_2022a_min_mpi | 5.415745700000000e+00 | -5.999999963535174e-08 | -1.999999987845058e-01 | PASS |
| spack_foss-2022a_serial_min | 5.415745700000000e+00 | -5.999999963535174e-08 | -1.999999987845058e-01 | PASS |
| spack_foss-2022a_serial | 5.415745700000000e+00 | -5.999999963535174e-08 | -1.999999987845058e-01 | PASS |
| spack_foss-2022a_mpi_min | 5.415745700000000e+00 | -5.999999963535174e-08 | -1.999999987845058e-01 | PASS |
| spack_foss-2022a_mpi | 5.415745700000000e+00 | -5.999999963535174e-08 | -1.999999987845058e-01 | PASS |
| spack_foss-2023a_mpi_min | 5.415745700000000e+00 | -5.999999963535174e-08 | -1.999999987845058e-01 | PASS |
| spack_foss-2023a_mpi | 5.415745700000000e+00 | -5.999999963535174e-08 | -1.999999987845058e-01 | PASS |
| spack_foss-2023a_serial | 5.415745700000000e+00 | -5.999999963535174e-08 | -1.999999987845058e-01 | PASS |
| spack_foss-2023a_mpi_opt | 5.415745700000000e+00 | -5.999999963535174e-08 | -1.999999987845058e-01 | PASS |
| spack_foss-2023a_serial_min | 5.415745700000000e+00 | -5.999999963535174e-08 | -1.999999987845058e-01 | PASS |
| spack_foss-2023a_serial_opt | 5.415745700000000e+00 | -5.999999963535174e-08 | -1.999999987845058e-01 | PASS |
| spack_foss-2023a_serial_omp | 5.415745700000000e+00 | -5.999999963535174e-08 | -1.999999987845058e-01 | PASS |
| spack_foss-2023a_mpi_omp | 5.415745700000000e+00 | -5.999999963535174e-08 | -1.999999987845058e-01 | PASS |
| spack_foss-2023b_serial | 5.415745700000000e+00 | -5.999999963535174e-08 | -1.999999987845058e-01 | PASS |
| spack_intel-2022a_serial_omp | 5.415745440000000e+00 | -3.199999998315661e-07 | -1.066666666105220e+00 | FAIL |
| spack_intel-2023a_serial | 5.415745740000000e+00 | -1.999999987845058e-08 | -6.666666626150194e-02 | PASS |
| spack_intel-2023a_serial_omp | 5.415745440000000e+00 | -3.199999998315661e-07 | -1.066666666105220e+00 | FAIL |
| spack_intel-2023a_impi | 5.415745740000000e+00 | -1.999999987845058e-08 | -6.666666626150194e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 5.415745820000000e+00 | 5.999999963535174e-08 | 1.999999987845058e-01 | PASS |
| spack_foss-2022a_cuda_serial | 5.415745820000000e+00 | 5.999999963535174e-08 | 1.999999987845058e-01 | PASS |
| spack_intel-2022a_impi_omp | 5.415745440000000e+00 | -3.199999998315661e-07 | -1.066666666105220e+00 | FAIL |