Match comparison for Hartree energy (match type 14661)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.596580156000000e+01 | 6.050000000000000e-07 | 3.596580114999999e+01 | 7.105427357601002e-15 | 3.596580115000000e+01 | 0.000000000000000e+00 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 35.96580156, precision: 0.000000605| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_foss-2023a_serial_opt | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_foss-2023a_serial_min | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_foss-2022a_serial | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_foss-2023a_serial | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_foss-2023b_serial | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_foss-2022a_ppc | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_foss-2022a_cuda_serial | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_foss-2023a_mpi_min | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_foss-2022a_mpi_min | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_foss-2023a_serial_omp | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_foss-2023a_serial_debug | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_foss-2023a_mpi_opt | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_foss-2022a_mpi | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_foss-2023a_mpi | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_foss-2023a_mpi_debug | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_foss-2023a_mpi_omp | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| cmake_foss_2022a_full_serial | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| cmake_foss_2022a_min_serial | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_intel-2023a_serial | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| cmake_foss_2022a_min_mpi | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| cmake_foss_2022a_full_mpi | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_intel-2022a_impi_omp | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_intel-2022a_serial_omp | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_intel-2023a_serial_omp | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |
| spack_intel-2023a_impi | 3.596580115000000e+01 | -4.100000055018427e-07 | -6.776859595071779e-01 | PASS |