Match comparison for Ion-ion energy (match type 22550)
Commits >
Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 >
Input 08-symmetrization_mgga.01-spg3_sym.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.328298460000001e+00 | 2.660000000000000e-07 | -5.328298460000000e+00 | 0.000000000000000e+00 | -5.328298460000000e+00 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: -5.328298460000001, precision: 0.000000266| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| cmake_foss_2022a_full_mpi | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| cmake_foss_2022a_min_serial | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| cmake_foss_2022a_min_mpi | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_foss-2022a_mpi | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_foss-2022a_mpi_min | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_foss-2022a_serial | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_foss-2022a_serial_min | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_foss-2023a_mpi | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_foss-2023a_mpi_min | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_foss-2022a_cuda_serial | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_foss-2023a_serial | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_foss-2023a_mpi_opt | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_foss-2023a_serial_min | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_foss-2023a_mpi_omp | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_foss-2023a_serial_opt | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_foss-2023a_serial_omp | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_foss-2023b_serial | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_intel-2023a_serial | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_intel-2022a_serial_omp | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_intel-2023a_impi | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_intel-2023a_serial_omp | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_intel-2022a_impi_omp | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |