Match comparison for Born charge 1 ZZ w=0.1 (match type 23044)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.812991000000000e+00 | 1.410000000000000e-05 | -2.812990925925925e+00 | 2.618914003597656e-07 | -2.812990500000000e+00 | 4.999999998478444e-07 | PASS |
Checks for this match
- MPI builders have different values.
- OpenMP builders have different values.
- GPU builders have different values. Intel® builders have different values.
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Detailed information
Reference: -2.8129910000000002, precision: 0.0000141| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| cmake_foss_2022a_full_mpi | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| cmake_foss_2022a_full_serial | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| cmake_foss_2022a_min_serial | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| cmake_foss_2022a_min_mpi | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_foss-2022a_cuda_serial | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_foss-2022a_serial | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_foss-2022a_serial_min | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_foss-2022a_mpi_min | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_foss-2022a_mpi | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_foss-2023a_mpi_min | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_foss-2023a_mpi | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_foss-2023a_serial | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_foss-2023a_serial_min | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_foss-2023a_mpi_opt | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_foss-2023a_serial_opt | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_foss-2023a_serial_debug | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_foss-2023b_serial | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_foss-2023a_serial_omp | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_foss-2023a_mpi_omp | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_intel-2023a_serial | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_intel-2022a_serial_omp | -2.812990000000000e+00 | 1.000000000139778e-06 | 7.092198582551616e-02 | PASS |
| spack_intel-2023a_impi | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_intel-2023a_serial_omp | -2.812990000000000e+00 | 1.000000000139778e-06 | 7.092198582551616e-02 | PASS |
| spack_intel-2022a_impi_omp | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_foss-2023a_mpi_debug | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |