Match comparison for Hartree energy (match type 12854)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.266259827000000e+01 | 1.430000000000000e-07 | 2.266259825000000e+01 | 1.284523258835905e-07 | 2.266259827000000e+01 | 1.300000000981072e-07 | PASS |
Checks for this match
- MPI builders have different values.
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Detailed information
Reference: 22.66259827, precision: 0.000000143| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 2.266259814000000e+01 | -1.300000000981072e-07 | -9.090909097769734e-01 | PASS |
| spack_foss-2022a_ppc | 2.266259814000000e+01 | -1.300000000981072e-07 | -9.090909097769734e-01 | PASS |
| cmake_foss_2022a_min_serial | 2.266259814000000e+01 | -1.300000000981072e-07 | -9.090909097769734e-01 | PASS |
| cmake_foss_2022a_min_mpi | 2.266259840000000e+01 | 1.300000000981072e-07 | 9.090909097769734e-01 | PASS |
| cmake_foss_2022a_full_mpi | 2.266259840000000e+01 | 1.300000000981072e-07 | 9.090909097769734e-01 | PASS |
| spack_foss-2022a_mpi_min | 2.266259840000000e+01 | 1.300000000981072e-07 | 9.090909097769734e-01 | PASS |
| spack_foss-2022a_mpi | 2.266259840000000e+01 | 1.300000000981072e-07 | 9.090909097769734e-01 | PASS |
| spack_foss-2022a_serial | 2.266259814000000e+01 | -1.300000000981072e-07 | -9.090909097769734e-01 | PASS |
| spack_foss-2022a_serial_min | 2.266259814000000e+01 | -1.300000000981072e-07 | -9.090909097769734e-01 | PASS |
| spack_foss-2023a_mpi | 2.266259840000000e+01 | 1.300000000981072e-07 | 9.090909097769734e-01 | PASS |
| spack_foss-2023a_mpi_min | 2.266259840000000e+01 | 1.300000000981072e-07 | 9.090909097769734e-01 | PASS |
| spack_foss-2023a_serial_min | 2.266259814000000e+01 | -1.300000000981072e-07 | -9.090909097769734e-01 | PASS |
| spack_foss-2023a_serial | 2.266259814000000e+01 | -1.300000000981072e-07 | -9.090909097769734e-01 | PASS |
| spack_foss-2023a_mpi_opt | 2.266259840000000e+01 | 1.300000000981072e-07 | 9.090909097769734e-01 | PASS |
| spack_foss-2023a_mpi_debug | 2.266259840000000e+01 | 1.300000000981072e-07 | 9.090909097769734e-01 | PASS |
| spack_foss-2023a_serial_opt | 2.266259814000000e+01 | -1.300000000981072e-07 | -9.090909097769734e-01 | PASS |
| spack_foss-2023b_serial | 2.266259814000000e+01 | -1.300000000981072e-07 | -9.090909097769734e-01 | PASS |
| spack_foss-2023a_serial_debug | 2.266259814000000e+01 | -1.300000000981072e-07 | -9.090909097769734e-01 | PASS |
| spack_foss-2023a_serial_omp | 2.266259814000000e+01 | -1.300000000981072e-07 | -9.090909097769734e-01 | PASS |
| spack_intel-2022a_serial_omp | 2.266259814000000e+01 | -1.300000000981072e-07 | -9.090909097769734e-01 | PASS |
| spack_foss-2023a_mpi_omp | 2.266259840000000e+01 | 1.300000000981072e-07 | 9.090909097769734e-01 | PASS |
| spack_intel-2023a_serial | 2.266259814000000e+01 | -1.300000000981072e-07 | -9.090909097769734e-01 | PASS |
| spack_intel-2023a_impi | 2.266259840000000e+01 | 1.300000000981072e-07 | 9.090909097769734e-01 | PASS |
| spack_intel-2023a_serial_omp | 2.266259814000000e+01 | -1.300000000981072e-07 | -9.090909097769734e-01 | PASS |
| spack_intel-2022a_impi_omp | 2.266259840000000e+01 | 1.300000000981072e-07 | 9.090909097769734e-01 | PASS |
| spack_foss-2022a_cuda_serial | 2.266259814000000e+01 | -1.300000000981072e-07 | -9.090909097769734e-01 | PASS |