Match comparison for Unnormalized charge (match type 18755)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.816116630000000e+02 | 2.650000000000000e-01 | 1.817454072500000e+02 | 7.745078930373028e-02 | 1.816878785000000e+02 | 1.645204999999947e-01 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 181.611663, precision: 0.265| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | 1.815794020000000e+02 | -3.226100000000542e-02 | -1.217396226415299e-01 | PASS |
| cmake_foss_2022a_full_serial | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
| eb_fosscuda-2022a | 1.816047950000000e+02 | -6.867999999997210e-03 | -2.591698113206494e-02 | PASS |
| cmake_foss_2022a_min_mpi | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
| eb_foss-2022a_debug | 1.818523990000000e+02 | 2.407359999999983e-01 | 9.084377358490501e-01 | PASS |
| eb_foss-2022b_libxc6 | 1.818523990000000e+02 | 2.407359999999983e-01 | 9.084377358490501e-01 | PASS |
| eb_intel-2022a | 1.817614320000000e+02 | 1.497690000000205e-01 | 5.651660377359262e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 1.818523990000000e+02 | 2.407359999999983e-01 | 9.084377358490501e-01 | PASS |
| intel-2022b | 1.817614320000000e+02 | 1.497690000000205e-01 | 5.651660377359262e-01 | PASS |
| eb_intel-2022a_omp | 1.817614320000000e+02 | 1.497690000000205e-01 | 5.651660377359262e-01 | PASS |
| eb_foss-2022a_mpi_debug | 1.818523990000000e+02 | 2.407359999999983e-01 | 9.084377358490501e-01 | PASS |
| eb_intel-2022a_impi | 1.817614320000000e+02 | 1.497690000000205e-01 | 5.651660377359262e-01 | PASS |
| spack_foss-2022a_serial | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
| spack_foss-2022a_mpi | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.815233580000000e+02 | -8.830499999999120e-02 | -3.332264150943064e-01 | PASS |
| spack_foss-2022a_serial_min | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
| intel-2022b_impi | 1.817614320000000e+02 | 1.497690000000205e-01 | 5.651660377359262e-01 | PASS |
| spack_foss-2022a_serial_debug | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
| spack_foss-2022a_serial_omp | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
| spack_foss-2022a_serial_opt | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
| spack_foss-2022a_mpi_omp | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
| eb_intel-2022a_omp_impi | 1.817614320000000e+02 | 1.497690000000205e-01 | 5.651660377359262e-01 | PASS |