Match comparison for Ion-ion energy (match type 22550)
Commits >
Commit 9cd8be12b3755ae83838647d0fe27e1f4e47031c >
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 | -5.328298460000002e+00 | 1.776356839400250e-15 | -5.328298460000000e+00 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
Loading plot...
Detailed information
Reference: -5.328298460000001, precision: 0.000000266| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| cmake_foss_2022a_full_serial | -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 |
| cmake_foss_2022a_full_mpi | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| eb_fosscuda-2022a | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| eb_foss-2022a | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| eb_foss-2022a_debug | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| eb_foss-2022b_libxc6 | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| foss-2022a_opt | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| eb_foss-2022a_mpi | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| intel-2022a | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| foss-2022a_omp | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| intel-2022b | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| eb_foss-2022b_libxc6_mpi | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| eb_foss-2022a_mpi_debug | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| intel-2022a_omp | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_foss-2022a_serial | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| intel-2022a_impi | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| intel-2022b_impi | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_foss-2022a_serial_debug | -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 |
| foss-2022a_mpi_omp | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| eb_fosscuda-2022a_mpi_omp | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_foss-2022a_serial_opt | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| spack_foss-2022a_serial_omp | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |
| intel-2022a_omp_impi | -5.328298460000000e+00 | 8.881784197001252e-16 | 3.339016615414004e-09 | PASS |