Match comparison for Hartree energy (match type 22171)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.252990000000000e-02 | 6.260000000000000e-07 | 1.252970000000000e-02 | 1.734723475976807e-18 | 1.252970000000000e-02 | 0.000000000000000e+00 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.0125299, precision: 0.000000626| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_foss-2022a_serial_min | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_foss-2023a_serial_opt | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_foss-2022a_serial | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_foss-2023a_serial | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_foss-2023b_serial | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_foss-2022a_ppc | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_foss-2023a_mpi_min | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_foss-2023a_mpi_opt | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_foss-2023a_serial_debug | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_foss-2022a_mpi | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_foss-2023a_mpi | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_foss-2023a_mpi_debug | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_foss-2023a_mpi_omp | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_foss-2022a_cuda_serial | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| cmake_foss_2022a_full_serial | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_intel-2023a_serial | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_intel-2022a_serial_omp | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_intel-2023a_serial_omp | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_intel-2023a_impi | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |
| spack_intel-2022a_impi_omp | 1.252970000000000e-02 | -2.000000000005470e-07 | -3.194888178922475e-01 | PASS |