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 | -2.812991425925927e+00 | 4.944825898031432e-07 | -2.812991500000000e+00 | 5.000000000698890e-07 | PASS |
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Detailed information
Reference: -2.8129910000000002, precision: 0.0000141| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| spack_foss-2022a_serial_min | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| spack_foss-2022a_serial | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| spack_foss-2022a_ppc | -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 |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| cmake_foss_2022a_full_mpi | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_foss-2022a_mpi | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| cmake_foss_2022a_min_serial | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| spack_foss-2023a_mpi | -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 |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| spack_foss-2023a_mpi_debug | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| spack_foss-2023a_mpi_min | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| spack_foss-2023a_serial | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -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_debug | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| spack_foss-2023a_serial_min | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| spack_foss-2023a_serial_opt | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| spack_foss-2023a_mpi_omp | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_foss-2023b_serial | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| spack_foss-2023a_serial_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 | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_intel-2023a_serial_omp | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| spack_intel-2023a_impi | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| spack_intel-2022a_impi_omp | -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-2022a_cuda_serial | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |