Match comparison for Hartree energy (match type 29807)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.808160820000000e+00 | 2.580000000000000e-07 | 2.808160903333333e+00 | 4.249182928297619e-08 | 2.808160845000000e+00 | 7.499999998827889e-08 | PASS |
Checks for this match
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Detailed information
Reference: 2.8081608200000003, precision: 0.000000258| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |
| cmake_foss_2022a_full_mpi | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |
| cmake_foss_2022a_min_serial | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |
| cmake_foss_2022a_min_mpi | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |
| spack_foss-2022a_serial_min | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |
| spack_foss-2022a_serial | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |
| spack_foss-2022a_mpi_min | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |
| spack_foss-2022a_mpi | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |
| spack_foss-2023a_mpi_min | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |
| spack_foss-2023a_mpi | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |
| spack_foss-2023a_serial | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |
| spack_foss-2023a_mpi_opt | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |
| spack_foss-2023a_serial_min | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |
| spack_foss-2023a_serial_opt | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |
| spack_foss-2023a_serial_omp | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |
| spack_foss-2023a_mpi_omp | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |
| spack_foss-2023b_serial | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |
| spack_intel-2022a_serial_omp | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |
| spack_intel-2023a_serial | 2.808160770000000e+00 | -5.000000014021566e-08 | -1.937984501558747e-01 | PASS |
| spack_intel-2023a_serial_omp | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |
| spack_intel-2023a_impi | 2.808160770000000e+00 | -5.000000014021566e-08 | -1.937984501558747e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 2.808160870000000e+00 | 4.999999969612645e-08 | 1.937984484345986e-01 | PASS |
| spack_foss-2022a_cuda_serial | 2.808160870000000e+00 | 4.999999969612645e-08 | 1.937984484345986e-01 | PASS |
| spack_intel-2022a_impi_omp | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |