Match comparison for Hartree energy (match type 29585)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.122754400000000e+01 | 5.610000000000000e-08 | -1.122754400769231e+01 | 4.213250790954054e-09 | -1.122754400500000e+01 | 5.000000413701855e-09 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -11.227544, precision: 0.0000000561| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_min_serial | -1.122754401000000e+01 | -1.000000082740371e-08 | -1.782531341783193e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.122754401000000e+01 | -1.000000082740371e-08 | -1.782531341783193e-01 | PASS |
| spack_foss-2022a_serial_min | -1.122754401000000e+01 | -1.000000082740371e-08 | -1.782531341783193e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.122754401000000e+01 | -1.000000082740371e-08 | -1.782531341783193e-01 | PASS |
| spack_foss-2022a_ppc | -1.122754400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | -1.122754401000000e+01 | -1.000000082740371e-08 | -1.782531341783193e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.122754401000000e+01 | -1.000000082740371e-08 | -1.782531341783193e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.122754401000000e+01 | -1.000000082740371e-08 | -1.782531341783193e-01 | PASS |
| spack_foss-2022a_mpi | -1.122754401000000e+01 | -1.000000082740371e-08 | -1.782531341783193e-01 | PASS |
| spack_foss-2023a_mpi | -1.122754401000000e+01 | -1.000000082740371e-08 | -1.782531341783193e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.122754401000000e+01 | -1.000000082740371e-08 | -1.782531341783193e-01 | PASS |
| spack_foss-2023a_serial | -1.122754401000000e+01 | -1.000000082740371e-08 | -1.782531341783193e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.122754401000000e+01 | -1.000000082740371e-08 | -1.782531341783193e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.122754401000000e+01 | -1.000000082740371e-08 | -1.782531341783193e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.122754401000000e+01 | -1.000000082740371e-08 | -1.782531341783193e-01 | PASS |
| spack_foss-2023a_serial_min | -1.122754401000000e+01 | -1.000000082740371e-08 | -1.782531341783193e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.122754400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_omp | -1.122754401000000e+01 | -1.000000082740371e-08 | -1.782531341783193e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.122754401000000e+01 | -1.000000082740371e-08 | -1.782531341783193e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.122754401000000e+01 | -1.000000082740371e-08 | -1.782531341783193e-01 | PASS |
| spack_foss-2023b_serial | -1.122754401000000e+01 | -1.000000082740371e-08 | -1.782531341783193e-01 | PASS |
| spack_intel-2023a_serial | -1.122754400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_serial_omp | -1.122754400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial_omp | -1.122754401000000e+01 | -1.000000082740371e-08 | -1.782531341783193e-01 | PASS |
| spack_intel-2023a_impi | -1.122754400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_impi_omp | -1.122754400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |