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 | 1.817331259629630e+02 | 5.234583325345762e-02 | 1.816438745000000e+02 | 1.205164999999937e-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: 0.265Run | Value | Difference | Relative difference | Status |
spack_foss-2023a_serial_min | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
spack_foss-2022a_serial_min | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
spack_foss-2023a_serial_opt | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
spack_foss-2022a_serial | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
spack_foss-2023b_serial | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
spack_foss-2023a_serial | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
spack_foss-2022a_ppc | 1.815775180000000e+02 | -3.414499999999521e-02 | -1.288490566037555e-01 | PASS |
spack_foss-2022a_mpi_min | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
spack_foss-2023a_mpi_min | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
spack_foss-2023a_serial_omp | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
spack_foss-2023a_serial_debug | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
spack_foss-2022a_cuda_serial | 1.817643910000000e+02 | 1.527279999999962e-01 | 5.763320754716837e-01 | PASS |
spack_foss-2023a_mpi_opt | 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-2023a_mpi | 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 |
spack_foss-2022a_cuda_mpi_omp | 1.815233580000000e+02 | -8.830499999999120e-02 | -3.332264150943064e-01 | PASS |
spack_foss-2023a_mpi_debug | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
spack_foss-2023a_mpi_omp | 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_serial | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
cmake_foss_2022a_min_mpi | 1.817458210000000e+02 | 1.341580000000135e-01 | 5.062566037736360e-01 | PASS |
spack_intel-2023a_serial | 1.817517070000000e+02 | 1.400440000000174e-01 | 5.284679245283674e-01 | PASS |
spack_intel-2022a_serial_omp | 1.817517070000000e+02 | 1.400440000000174e-01 | 5.284679245283674e-01 | PASS |
spack_intel-2023a_serial_omp | 1.817517070000000e+02 | 1.400440000000174e-01 | 5.284679245283674e-01 | PASS |
spack_intel-2023a_impi | 1.817517070000000e+02 | 1.400440000000174e-01 | 5.284679245283674e-01 | PASS |
spack_intel-2022a_impi_omp | 1.817517070000000e+02 | 1.400440000000174e-01 | 5.284679245283674e-01 | PASS |