Match comparison for Hartree energy (match type 12947)
Commits >
Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd >
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 | -4.551474952592593e+00 | 3.238570705220175e-08 | -4.551474910000000e+00 | 7.000000001866624e-08 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -4.55147486, precision: 0.000000228| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| spack_foss-2023a_serial_min | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| spack_foss-2022a_serial | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| spack_foss-2023a_serial_opt | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| spack_foss-2023a_serial | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| spack_foss-2023b_serial | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| spack_foss-2022a_ppc | -4.551474950000000e+00 | -9.000000034120603e-08 | -3.947368436017809e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.551474980000000e+00 | -1.200000001588819e-07 | -5.263157901705346e-01 | PASS |
| spack_foss-2023a_serial_debug | -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 |
| spack_foss-2023a_mpi_opt | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| spack_foss-2022a_cuda_serial | -4.551474970000000e+00 | -1.100000002196566e-07 | -4.824561413142834e-01 | PASS |
| spack_foss-2022a_mpi | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| spack_foss-2023a_mpi | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| spack_foss-2023a_mpi_debug | -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-2023a_mpi_omp | -4.551474980000000e+00 | -1.200000001588819e-07 | -5.263157901705346e-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_min_mpi | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| spack_intel-2023a_serial | -4.551474840000000e+00 | 1.999999987845058e-08 | 8.771929771250254e-02 | PASS |
| spack_intel-2022a_serial_omp | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| spack_intel-2023a_serial_omp | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| spack_intel-2023a_impi | -4.551474840000000e+00 | 1.999999987845058e-08 | 8.771929771250254e-02 | PASS |
| spack_intel-2022a_impi_omp | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |