Match comparison for gga_x_pbe_r Exchange (match type 12356)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.239870300000000e-01 | 4.090000000000000e-06 | -3.239901929629629e-01 | 1.949632092195754e-06 | -3.239870200000000e-01 | 3.730000000007339e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.32398703, precision: 0.00000409| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.239907400000000e-01 | -3.709999999990110e-06 | -9.070904645452592e-01 | PASS |
| spack_foss-2022a_serial_min | -3.239907400000000e-01 | -3.709999999990110e-06 | -9.070904645452592e-01 | PASS |
| spack_foss-2023a_serial_min | -3.239907400000000e-01 | -3.709999999990110e-06 | -9.070904645452592e-01 | PASS |
| spack_foss-2023a_serial | -3.239907400000000e-01 | -3.709999999990110e-06 | -9.070904645452592e-01 | PASS |
| spack_foss-2022a_serial | -3.239907400000000e-01 | -3.709999999990110e-06 | -9.070904645452592e-01 | PASS |
| spack_foss-2022a_ppc | -3.239907400000000e-01 | -3.709999999990110e-06 | -9.070904645452592e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.239907400000000e-01 | -3.709999999990110e-06 | -9.070904645452592e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.239907500000000e-01 | -3.719999999984847e-06 | -9.095354523190334e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.239907500000000e-01 | -3.719999999984847e-06 | -9.095354523190334e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.239907500000000e-01 | -3.719999999984847e-06 | -9.095354523190334e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.239907500000000e-01 | -3.719999999984847e-06 | -9.095354523190334e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.239907400000000e-01 | -3.709999999990110e-06 | -9.070904645452592e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.239907500000000e-01 | -3.719999999984847e-06 | -9.095354523190334e-01 | PASS |
| spack_foss-2022a_mpi | -3.239907500000000e-01 | -3.719999999984847e-06 | -9.095354523190334e-01 | PASS |
| spack_foss-2023a_mpi | -3.239907500000000e-01 | -3.719999999984847e-06 | -9.095354523190334e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.239832900000000e-01 | 3.740000000029831e-06 | 9.144254278801542e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.239833100000000e-01 | 3.719999999984847e-06 | 9.095354523190334e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.239907500000000e-01 | -3.719999999984847e-06 | -9.095354523190334e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.239907500000000e-01 | -3.719999999984847e-06 | -9.095354523190334e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.239907400000000e-01 | -3.709999999990110e-06 | -9.070904645452592e-01 | PASS |
| spack_foss-2023b_serial | -3.239907400000000e-01 | -3.709999999990110e-06 | -9.070904645452592e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.239907400000000e-01 | -3.709999999990110e-06 | -9.070904645452592e-01 | PASS |
| spack_intel-2023a_serial | -3.239907400000000e-01 | -3.709999999990110e-06 | -9.070904645452592e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.239907400000000e-01 | -3.709999999990110e-06 | -9.070904645452592e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.239907400000000e-01 | -3.709999999990110e-06 | -9.070904645452592e-01 | PASS |
| spack_intel-2023a_impi | -3.239907500000000e-01 | -3.719999999984847e-06 | -9.095354523190334e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.239907500000000e-01 | -3.719999999984847e-06 | -9.095354523190334e-01 | PASS |