Match comparison for Hartree energy (match type 29626)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.223230991099999e+02 | 2.610000000000000e-07 | -5.223230991100002e+02 | 1.136868377216160e-13 | -5.223230991100000e+02 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: -522.3230991099999, precision: 0.000000261| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_foss-2023a_mpi | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| cmake_foss_2022a_full_mpi | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| cmake_foss_2022a_min_serial | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| cmake_foss_2022a_full_serial | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_foss-2023a_mpi_debug | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| cmake_foss_2022a_min_mpi | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_foss-2022a_serial | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_foss-2022a_serial_min | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_foss-2022a_mpi | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_foss-2022a_mpi_min | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_foss-2023a_mpi_min | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_foss-2023a_mpi_opt | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_foss-2023a_serial | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_foss-2023a_serial_min | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_foss-2023a_serial_debug | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_foss-2023a_serial_opt | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_foss-2023a_serial_omp | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_foss-2022a_cuda_serial | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_foss-2023a_mpi_omp | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_foss-2023b_serial | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_intel-2023a_serial | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_intel-2022a_serial_omp | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_intel-2023a_serial_omp | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_intel-2023a_impi | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_intel-2022a_impi_omp | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |
| spack_foss-2023a_valgrind | -5.223230991100000e+02 | -1.136868377216160e-13 | -4.355817537226667e-07 | PASS |