Match comparison for Eigenvalues energy (match type 29228)
Commits >
Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 >
Input 21-qedft-breit-3d.01-pxlda-hydrogen.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -6.235058800000000e-01 | 3.200000000000000e-08 | -6.235058800000000e-01 | 0.000000000000000e+00 | -6.235058800000000e-01 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -0.62350588, precision: 0.000000032| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi_min | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_min | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_min | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_serial | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_opt | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_min | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_omp | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_opt | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_omp | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023b_serial | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_serial_omp | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_impi | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial_omp | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_impi_omp | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |