Match comparison for Forces [step 5] (match type 22545)
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -7.618874990413800e-03 | 2.500000000000000e-14 | -7.618874990417254e-03 | 5.873834139114321e-15 | -7.618874990419688e-03 | 1.187938636348917e-14 | PASS |
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Detailed information
Reference: -0.0076188749904138, precision: 0.000000000000025| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2022a-serial] | -7.618874990413138e-03 | 6.617970060851519e-16 | 2.647188024340608e-02 | PASS |
| foss_min_autotools: [foss2023a-serial] | -7.618874990413138e-03 | 6.617970060851519e-16 | 2.647188024340608e-02 | PASS |
| foss_min_autotools: [foss2023b-serial] | -7.618874990413138e-03 | 6.617970060851519e-16 | 2.647188024340608e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -7.618874990412028e-03 | 1.772020030710308e-15 | 7.088080122841234e-02 | PASS |
| foss_autotools: [foss2022a-serial] | -7.618874990413138e-03 | 6.617970060851519e-16 | 2.647188024340608e-02 | PASS |
| foss_autotools: [foss2023a-serial] | -7.618874990413138e-03 | 6.617970060851519e-16 | 2.647188024340608e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -7.618874990412028e-03 | 1.772020030710308e-15 | 7.088080122841234e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -7.618874990423130e-03 | -9.330210215541257e-15 | -3.732084086216503e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -7.618874990413138e-03 | 6.617970060851519e-16 | 2.647188024340608e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -7.618874990412028e-03 | 1.772020030710308e-15 | 7.088080122841234e-02 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -7.618874990413360e-03 | 4.397524011601206e-16 | 1.759009604640482e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -7.618874990412250e-03 | 1.549975425785277e-15 | 6.199901703141109e-02 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | -7.618874990413804e-03 | -4.336808689942018e-18 | -1.734723475976807e-04 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -7.618874990420688e-03 | -6.887719561365913e-15 | -2.755087824546365e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -7.618874990413360e-03 | 4.397524011601206e-16 | 1.759009604640482e-02 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -7.618874990417135e-03 | -3.335005882565412e-15 | -1.334002353026165e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -7.618874990417135e-03 | -3.335005882565412e-15 | -1.334002353026165e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -7.618874990422908e-03 | -9.108165610616226e-15 | -3.643266244246490e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -7.618874990413138e-03 | 6.617970060851519e-16 | 2.647188024340608e-02 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | -7.618874990413804e-03 | -4.336808689942018e-18 | -1.734723475976807e-04 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -7.618874990420688e-03 | -6.887719561365913e-15 | -2.755087824546365e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -7.618874990422908e-03 | -9.108165610616226e-15 | -3.643266244246490e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -7.618874990420688e-03 | -6.887719561365913e-15 | -2.755087824546365e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -7.618874990407809e-03 | 5.990867524285903e-15 | 2.396347009714361e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -7.618874990417135e-03 | -3.335005882565412e-15 | -1.334002353026165e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -7.618874990419355e-03 | -5.555451931815725e-15 | -2.222180772726290e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -7.618874990430902e-03 | -1.710177138791735e-14 | -6.840708555166941e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -7.618874990424462e-03 | -1.066247784509144e-14 | -4.264991138036578e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -7.618874990426461e-03 | -1.266087928941673e-14 | -5.064351715766691e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -7.618874990431568e-03 | -1.776790520269245e-14 | -7.107162081076979e-01 | PASS |