Match comparison for Hartree energy (match type 22511)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.246899420000000e+00 | 2.120000000000000e-07 | 4.246899341304349e+00 | 1.727132534580586e-08 | 4.246899375000000e+00 | 4.500000017060302e-08 | PASS |
Checks for this match
- GPU builders have different values. Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 4.24689942, precision: 0.000000212| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 4.246899340000000e+00 | -8.000000040198074e-08 | -3.773584924621733e-01 | PASS |
| cmake_foss_2022a_full_mpi | 4.246899340000000e+00 | -8.000000040198074e-08 | -3.773584924621733e-01 | PASS |
| cmake_foss_2022a_min_serial | 4.246899340000000e+00 | -8.000000040198074e-08 | -3.773584924621733e-01 | PASS |
| cmake_foss_2022a_min_mpi | 4.246899340000000e+00 | -8.000000040198074e-08 | -3.773584924621733e-01 | PASS |
| spack_foss-2022a_serial_min | 4.246899340000000e+00 | -8.000000040198074e-08 | -3.773584924621733e-01 | PASS |
| spack_foss-2022a_serial | 4.246899340000000e+00 | -8.000000040198074e-08 | -3.773584924621733e-01 | PASS |
| spack_foss-2022a_mpi_min | 4.246899340000000e+00 | -8.000000040198074e-08 | -3.773584924621733e-01 | PASS |
| spack_foss-2022a_mpi | 4.246899340000000e+00 | -8.000000040198074e-08 | -3.773584924621733e-01 | PASS |
| spack_foss-2023a_mpi_min | 4.246899340000000e+00 | -8.000000040198074e-08 | -3.773584924621733e-01 | PASS |
| spack_foss-2023a_mpi | 4.246899340000000e+00 | -8.000000040198074e-08 | -3.773584924621733e-01 | PASS |
| spack_foss-2023a_serial | 4.246899340000000e+00 | -8.000000040198074e-08 | -3.773584924621733e-01 | PASS |
| spack_foss-2023a_mpi_opt | 4.246899340000000e+00 | -8.000000040198074e-08 | -3.773584924621733e-01 | PASS |
| spack_foss-2023a_serial_min | 4.246899340000000e+00 | -8.000000040198074e-08 | -3.773584924621733e-01 | PASS |
| spack_foss-2023a_serial_opt | 4.246899340000000e+00 | -8.000000040198074e-08 | -3.773584924621733e-01 | PASS |
| spack_foss-2023a_serial_omp | 4.246899340000000e+00 | -8.000000040198074e-08 | -3.773584924621733e-01 | PASS |
| spack_foss-2023a_mpi_omp | 4.246899340000000e+00 | -8.000000040198074e-08 | -3.773584924621733e-01 | PASS |
| spack_foss-2023b_serial | 4.246899340000000e+00 | -8.000000040198074e-08 | -3.773584924621733e-01 | PASS |
| spack_intel-2022a_serial_omp | 4.246899330000000e+00 | -9.000000034120603e-08 | -4.245283034962549e-01 | PASS |
| spack_intel-2023a_serial | 4.246899330000000e+00 | -9.000000034120603e-08 | -4.245283034962549e-01 | PASS |
| spack_intel-2023a_serial_omp | 4.246899330000000e+00 | -9.000000034120603e-08 | -4.245283034962549e-01 | PASS |
| spack_intel-2023a_impi | 4.246899330000000e+00 | -9.000000034120603e-08 | -4.245283034962549e-01 | PASS |
| spack_foss-2022a_cuda_serial | 4.246899420000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_impi_omp | 4.246899330000000e+00 | -9.000000034120603e-08 | -4.245283034962549e-01 | PASS |