Match comparison for Total energy (match type 22019)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -7.937909370000000e+00 | 3.970000000000000e-07 | -7.937909247037035e+00 | 1.047565595391319e-08 | -7.937909230000000e+00 | 1.999999987845058e-08 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -7.93790937, precision: 0.000000397| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| spack_foss-2022a_serial_opt | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| spack_foss-2022a_serial_min | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| spack_foss-2022a_serial | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| foss-2022a_opt | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| intel-2022b | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| intel-2022a | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| cmake_foss_2022a_full_mpi | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| spack_foss-2022a_serial_omp | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| eb_fosscuda-2022a | -7.937909210000000e+00 | 1.599999999157831e-07 | 4.030226698130556e-01 | PASS |
| foss-2022a_omp | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| foss-2022a_ppc | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| spack_foss-2022a_serial_debug | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| intel-2022a_omp | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| intel-2022b_impi | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| intel-2022a_impi | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| cmake_foss_2022a_min_serial | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -7.937909210000000e+00 | 1.599999999157831e-07 | 4.030226698130556e-01 | PASS |
| foss-2022a_mpi_omp | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| cmake_foss_2022a_min_mpi | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| eb_foss-2022a | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| eb_foss-2022b_libxc6 | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| intel-2022a_omp_impi | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| eb_foss-2022a_mpi | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| eb_foss-2022a_debug | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |
| eb_foss-2022a_mpi_debug | -7.937909250000000e+00 | 1.200000001588819e-07 | 3.022670029190980e-01 | PASS |