Match comparison for Total Energy (match type 18212)
Commits >
Commit 58dcf5562fbb52d037ca78866f8fd352b3754746 >
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 | -9.937153922484617e+02 | 1.573544442906310e-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 |
| eb_foss-2022a | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| eb_fosscuda-2022a | -9.936608830700000e+02 | 2.952803000005133e-02 | 9.085547692323486e-01 | PASS |
| intel-2022a_omp | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| eb_foss-2022a_debug | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| intel-2022b_impi | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| intel-2022a_impi | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -9.936608830700000e+02 | 2.952803000005133e-02 | 9.085547692323486e-01 | PASS |
| eb_foss-2022b_libxc6 | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| eb_foss-2022a_mpi | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| intel-2022a_omp_impi | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| eb_foss-2022a_mpi_debug | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| foss-2022a_mpi_omp | -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 |
| foss-2022a_ppc | -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_serial | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| foss-2022a_opt | -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 |
| intel-2022b | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| intel-2022a | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| spack_foss-2022a_serial_omp | -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 |
| spack_foss-2022a_serial_debug | -9.937199346800001e+02 | -2.952358000004551e-02 | -9.084178461552466e-01 | PASS |
| foss-2022a_omp | -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 |