Match comparison for Total energy (match type 23486)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.245061313400000e+02 | 3.740000000000000e-07 | -3.245061312855173e+02 | 9.873637617051245e-08 | -3.245061312000000e+02 | 2.000000165480742e-07 | PASS |
Checks for this match
- MPI builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -324.50613134, precision: 0.000000374| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |
| spack_foss-2022a_serial_opt | -3.245061312900000e+02 | 5.000003966415534e-08 | 1.336899456260838e-01 | PASS |
| spack_foss-2022a_serial_min | -3.245061310000000e+02 | 3.400000423425809e-07 | 9.090910223063660e-01 | PASS |
| spack_foss-2022a_serial | -3.245061310000000e+02 | 3.400000423425809e-07 | 9.090910223063660e-01 | PASS |
| foss-2022a_opt | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |
| intel-2022b | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |
| intel-2022a | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |
| spack_foss-2022a_serial_omp | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |
| spack_foss-2022a_serial_debug | -3.245061310000000e+02 | 3.400000423425809e-07 | 9.090910223063660e-01 | PASS |
| foss-2022a_omp | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |
| spack_foss-2022a_mpi | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |
| intel-2022a_omp | -3.245061312900000e+02 | 5.000003966415534e-08 | 1.336899456260838e-01 | PASS |
| intel-2022a_impi | -3.245061314000000e+02 | -5.999999075356754e-08 | -1.604277827635496e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |
| spack_foss-2022a_mpi_omp | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |
| eb_fosscuda-2022a | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |
| cmake_foss_2022a_full_serial | -3.245061312900000e+02 | 5.000003966415534e-08 | 1.336899456260838e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.245061312900000e+02 | 5.000003966415534e-08 | 1.336899456260838e-01 | PASS |
| foss-2022a_mpi_omp | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |
| eb_foss-2022a | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |
| eb_foss-2022b_libxc6 | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |
| intel-2022a_omp_impi | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |
| eb_foss-2022a_debug | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |
| eb_foss-2022a_mpi | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |
| eb_foss-2022a_mpi_debug | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |
| intel-2022b_impi | -3.245061313200000e+02 | 2.000001586566214e-08 | 5.347597825043352e-02 | PASS |