Match comparison for Hartree energy (match type 28370)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.729323236000000e+01 | 1.170000000000000e-06 | 1.729323173250000e+01 | 6.719036127553135e-07 | 1.729323236000000e+01 | 1.060000000663308e-06 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 17.293232359999998, precision: 0.00000117| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 1.729323131000000e+01 | -1.049999998059548e-06 | -8.974358957773910e-01 | PASS |
| spack_foss-2023a_serial_opt | 1.729323131000000e+01 | -1.049999998059548e-06 | -8.974358957773910e-01 | PASS |
| spack_foss-2023a_serial | 1.729323131000000e+01 | -1.049999998059548e-06 | -8.974358957773910e-01 | PASS |
| spack_foss-2023a_serial_min | 1.729323131000000e+01 | -1.049999998059548e-06 | -8.974358957773910e-01 | PASS |
| spack_foss-2023b_serial | 1.729323131000000e+01 | -1.049999998059548e-06 | -8.974358957773910e-01 | PASS |
| spack_foss-2022a_serial | 1.729323131000000e+01 | -1.049999998059548e-06 | -8.974358957773910e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.729323131000000e+01 | -1.049999998059548e-06 | -8.974358957773910e-01 | PASS |
| spack_foss-2022a_ppc | 1.729323342000000e+01 | 1.060000002439665e-06 | 9.059829080680897e-01 | PASS |
| spack_foss-2023a_mpi_min | 1.729323131000000e+01 | -1.049999998059548e-06 | -8.974358957773910e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.729323130000000e+01 | -1.059999998886951e-06 | -9.059829050315823e-01 | PASS |
| spack_foss-2022a_mpi | 1.729323131000000e+01 | -1.049999998059548e-06 | -8.974358957773910e-01 | PASS |
| spack_foss-2023a_mpi | 1.729323131000000e+01 | -1.049999998059548e-06 | -8.974358957773910e-01 | PASS |
| spack_foss-2023a_serial_debug | 1.729323131000000e+01 | -1.049999998059548e-06 | -8.974358957773910e-01 | PASS |
| spack_foss-2023a_mpi_debug | 1.729323131000000e+01 | -1.049999998059548e-06 | -8.974358957773910e-01 | PASS |
| spack_foss-2023a_mpi_omp | 1.729323130000000e+01 | -1.059999998886951e-06 | -9.059829050315823e-01 | PASS |
| cmake_foss_2022a_full_serial | 1.729323131000000e+01 | -1.049999998059548e-06 | -8.974358957773910e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.729323131000000e+01 | -1.049999998059548e-06 | -8.974358957773910e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.729323131000000e+01 | -1.049999998059548e-06 | -8.974358957773910e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.729323131000000e+01 | -1.049999998059548e-06 | -8.974358957773910e-01 | PASS |
| spack_intel-2023a_serial | 1.729323197000000e+01 | -3.899999967416079e-07 | -3.333333305483828e-01 | PASS |
| spack_intel-2022a_impi_omp | 1.729323265000000e+01 | 2.900000026784255e-07 | 2.478632501525004e-01 | PASS |
| spack_intel-2022a_serial_omp | 1.729323265000000e+01 | 2.900000026784255e-07 | 2.478632501525004e-01 | PASS |
| spack_intel-2023a_serial_omp | 1.729323268000000e+01 | 3.200000016079230e-07 | 2.735042748785667e-01 | PASS |
| spack_intel-2023a_impi | 1.729323197000000e+01 | -3.899999967416079e-07 | -3.333333305483828e-01 | PASS |
| spack_foss-2023a_mpi_opt | 1.729323131000000e+01 | -1.049999998059548e-06 | -8.974358957773910e-01 | PASS |
| spack_foss-2023a_valgrind | 1.729323220000000e+01 | -1.599999990276046e-07 | -1.367521359210296e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.729323305000000e+01 | 6.900000038001508e-07 | 5.897435929915819e-01 | PASS |
| spack_foss-2022a_cuda_serial | 1.729323305000000e+01 | 6.900000038001508e-07 | 5.897435929915819e-01 | PASS |