Match comparison for Total energy (match type 22019)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -7.937909370000000e+00 | 3.970000000000000e-07 | -7.937909228333333e+00 | 5.527707950331184e-09 | -7.937909220000000e+00 | 9.999999939225290e-09 | PASS |
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: -7.93790937, precision: 0.000000397| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| cmake_foss_2022a_full_mpi | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| cmake_foss_2022a_min_serial | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| cmake_foss_2022a_min_mpi | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| spack_foss-2022a_serial_min | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| spack_foss-2022a_serial | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| spack_foss-2022a_mpi_min | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| spack_foss-2022a_mpi | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| spack_foss-2023a_mpi_min | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| spack_foss-2023a_mpi | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| spack_foss-2023a_serial | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| spack_foss-2023a_mpi_opt | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| spack_foss-2023a_serial_min | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| spack_foss-2023a_serial_opt | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| spack_foss-2023a_serial_omp | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| spack_foss-2023a_mpi_omp | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| spack_foss-2023b_serial | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| spack_intel-2022a_serial_omp | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| spack_intel-2023a_serial | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| spack_intel-2023a_serial_omp | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| spack_intel-2023a_impi | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -7.937909210000000e+00 | 1.599999999157831e-07 | 4.030226698130556e-01 | PASS |
| spack_foss-2022a_cuda_serial | -7.937909210000000e+00 | 1.599999999157831e-07 | 4.030226698130556e-01 | PASS |
| spack_intel-2022a_impi_omp | -7.937909230000000e+00 | 1.400000000373325e-07 | 3.526448363660767e-01 | PASS |