Match comparison for Hartree energy (match type 29030)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.021574642200000e+02 | 1.570000000000000e-06 | 1.021574654364286e+02 | 7.339872242765140e-07 | 1.021574642150000e+02 | 1.425000000665477e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: 102.15746422, precision: 0.00000157| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_foss-2022a_ppc | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_foss-2022a_mpi | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_foss-2022a_serial | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_foss-2022a_serial_min | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_foss-2023a_mpi | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_foss-2023a_mpi_min | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_foss-2023a_serial_min | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_foss-2023a_serial | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_foss-2023a_mpi_opt | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_foss-2023a_mpi_debug | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_foss-2023a_serial_opt | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_foss-2023b_serial | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_foss-2023a_serial_debug | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_intel-2022a_serial_omp | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_foss-2023a_mpi_omp | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_intel-2023a_serial | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_intel-2023a_impi | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_foss-2023a_valgrind | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.021574627900000e+02 | -1.429999997526465e-06 | -9.108280239022073e-01 | PASS |
| spack_intel-2023a_serial_omp | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_intel-2022a_impi_omp | 1.021574656400000e+02 | 1.420000003804489e-06 | 9.044586011493561e-01 | PASS |
| spack_foss-2022a_cuda_serial | 1.021574627900000e+02 | -1.429999997526465e-06 | -9.108280239022073e-01 | PASS |