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 | -2.812991066666666e+00 | 2.494438258197962e-07 | -2.812991500000000e+00 | 5.000000000698890e-07 | PASS |
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Detailed information
Reference: -2.8129910000000002, precision: 0.0000141Run | Value | Difference | Relative difference | Status |
foss-cmake-zen4: [foss2023a-serial, foss-min] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss-cmake-zen4: [foss2023a-serial, foss-full] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss-serial-min: [foss2022a-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss_cmake: [foss2022a-serial, foss-min] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss-serial-min: [foss2023a-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
intel-serial: [intel2023a-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss-serial-full: [foss2023a-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss_cmake: [foss2022a-serial, foss-full] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss-serial-min: [foss2023b-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss-opt-full: [foss2023a-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss-serial-full: [foss2023b-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss-ppc: [foss2022a-serial] | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
foss-serial-debug: [foss2023a-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
intel-omp: [intel2023a-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
intel-omp: [intel2022a-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss-omp-full: [foss2023a-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss-mpi-opt-full: [foss2023a-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss-mpi-full: [foss2023a-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss_cmake: [foss2023a-mpi, foss-min-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
cuda-serial: [foss2022a-cuda-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss_cmake: [foss2022a-mpi, foss-min-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss-mpi-debug: [foss2023a-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss-mpi-min: [foss2022a-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss-mpi-min: [foss2023a-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
foss-mpi-omp-full: [foss2023a-mpi] | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
cuda-mpi-omp: [foss2022a-cuda-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |