Match comparison for Total Energy (match type 18212)
Commits >
Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 >
Input 04-octopus_basics-visualization.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -9.936904111000000e+02 | 3.250000000000000e-02 | -9.937155604866668e+02 | 1.546510884113030e-02 | -9.936904088750000e+02 | 2.952580500004842e-02 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -993.6904111, precision: 0.0325| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| cmake_foss_2022a_full_mpi | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| cmake_foss_2022a_full_serial | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| cmake_foss_2022a_min_serial | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| cmake_foss_2022a_min_mpi | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_foss-2022a_cuda_serial | -9.936608830700000e+02 | 2.952803000005133e-02 | 9.085547692323486e-01 | PASS |
| spack_foss-2022a_serial | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_foss-2022a_serial_min | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_foss-2022a_mpi_min | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_foss-2022a_mpi | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -9.936608830700000e+02 | 2.952803000005133e-02 | 9.085547692323486e-01 | PASS |
| spack_foss-2023a_mpi_min | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_foss-2023a_mpi | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_foss-2023a_serial | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_foss-2023a_serial_min | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_foss-2023a_mpi_opt | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_foss-2023a_serial_opt | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_foss-2023a_serial_debug | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_foss-2023b_serial | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_foss-2023a_serial_omp | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_foss-2023a_mpi_omp | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_intel-2023a_serial | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_intel-2022a_serial_omp | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_intel-2023a_impi | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_intel-2023a_serial_omp | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_intel-2022a_impi_omp | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_foss-2023a_mpi_debug | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |