Match comparison for Hartree energy (match type 28370)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.729242832000000e+01 | 1.900000000000000e-06 | 1.729242809142857e+01 | 2.600372815017088e-07 | 1.729242834000000e+01 | 5.400000002708794e-07 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: 17.29242832, precision: 0.0000019| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| spack_foss-2023a_serial_min | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| spack_foss-2022a_serial | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| spack_foss-2023a_serial | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| cmake_foss_2022a_full_serial | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| spack_foss-2022a_ppc | 1.729242838000000e+01 | 6.000000141170858e-08 | 3.157894811142557e-02 | PASS |
| spack_foss-2023a_mpi_min | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| spack_foss-2023a_serial_debug | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| spack_foss-2023a_mpi_opt | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| spack_foss-2022a_mpi | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| spack_foss-2023a_mpi | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| spack_foss-2022a_cuda_serial | 1.729242888000000e+01 | 5.600000001493299e-07 | 2.947368421838579e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| spack_foss-2023a_mpi_debug | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| spack_foss-2023a_mpi_omp | 1.729242802000000e+01 | -2.999999999531155e-07 | -1.578947368174292e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.729242888000000e+01 | 5.600000001493299e-07 | 2.947368421838579e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| spack_foss-2023a_serial_opt | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| spack_foss-2023b_serial | 1.729242799000000e+01 | -3.299999988826130e-07 | -1.736842099382174e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.729242802000000e+01 | -2.999999999531155e-07 | -1.578947368174292e-01 | PASS |
| spack_intel-2023a_serial | 1.729242780000000e+01 | -5.200000003924288e-07 | -2.736842107328573e-01 | PASS |
| spack_intel-2022a_serial_omp | 1.729242834000000e+01 | 2.000000165480742e-08 | 1.052631666042496e-02 | PASS |
| spack_intel-2023a_serial_omp | 1.729242834000000e+01 | 2.000000165480742e-08 | 1.052631666042496e-02 | PASS |
| spack_intel-2023a_impi | 1.729242780000000e+01 | -5.200000003924288e-07 | -2.736842107328573e-01 | PASS |
| spack_intel-2022a_impi_omp | 1.729242834000000e+01 | 2.000000165480742e-08 | 1.052631666042496e-02 | PASS |
| spack_foss-2023a_valgrind | 1.729242793000000e+01 | -3.900000002943216e-07 | -2.052631580496429e-01 | PASS |