Match comparison for Total energy (match type 22549)
Commits >
Commit f2f698c8a25f386898063905e7c5eb25847969e0 >
Input 08-symmetrization_mgga.01-spg3_sym.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.804643880000000e+00 | 2.900000000000000e-07 | -5.804643880000002e+00 | 1.776356839400250e-15 | -5.804643880000000e+00 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -5.80464388, precision: 0.00000029| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_min | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_serial | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_opt | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_omp | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_debug | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_fosscuda-2022a | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_omp | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b_impi | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_impi | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_fosscuda-2022a_mpi_omp | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_mpi_omp | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6 | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_opt | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_debug | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_omp_impi | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_omp | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6_mpi | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi_debug | -5.804643880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |