Match comparison for Hartree energy (match type 12947)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Input 03-sodium_chain.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.551474860000000e+00 | 2.280000000000000e-07 | -4.551474949583334e+00 | 1.925252514130377e-08 | -4.551474940000000e+00 | 4.000000020099037e-08 | PASS |
Checks for this match
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Detailed information
Reference: -4.55147486, precision: 0.000000228| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | -4.551474910000000e+00 | -4.999999969612645e-08 | -2.192982442812564e-01 | PASS |
| cmake_foss_2022a_full_serial | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| eb_fosscuda-2022a | -4.551474950000000e+00 | -9.000000034120603e-08 | -3.947368436017809e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| eb_foss-2022a_debug | -4.551474920000000e+00 | -6.000000052353016e-08 | -2.631578970330270e-01 | PASS |
| eb_foss-2022b_libxc6 | -4.551474940000000e+00 | -8.000000040198074e-08 | -3.508771947455296e-01 | PASS |
| eb_intel-2022a | -4.551474950000000e+00 | -9.000000034120603e-08 | -3.947368436017809e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -4.551474940000000e+00 | -8.000000040198074e-08 | -3.508771947455296e-01 | PASS |
| intel-2022b | -4.551474950000000e+00 | -9.000000034120603e-08 | -3.947368436017809e-01 | PASS |
| eb_intel-2022a_omp | -4.551474900000000e+00 | -3.999999975690116e-08 | -1.754385954250051e-01 | PASS |
| eb_foss-2022a_mpi_debug | -4.551474920000000e+00 | -6.000000052353016e-08 | -2.631578970330270e-01 | PASS |
| eb_intel-2022a_impi | -4.551474950000000e+00 | -9.000000034120603e-08 | -3.947368436017809e-01 | PASS |
| spack_foss-2022a_serial | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| spack_foss-2022a_mpi | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| spack_foss-2022a_serial_min | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| intel-2022b_impi | -4.551474950000000e+00 | -9.000000034120603e-08 | -3.947368436017809e-01 | PASS |
| spack_foss-2022a_serial_debug | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| spack_foss-2022a_serial_omp | -4.551474980000000e+00 | -1.200000001588819e-07 | -5.263157901705346e-01 | PASS |
| spack_foss-2022a_serial_opt | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| spack_foss-2022a_mpi_omp | -4.551474980000000e+00 | -1.200000001588819e-07 | -5.263157901705346e-01 | PASS |
| eb_intel-2022a_omp_impi | -4.551474950000000e+00 | -9.000000034120603e-08 | -3.947368436017809e-01 | PASS |