Match comparison for SCF convergence (match type 29203)
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Input 21-qedft-breit-3d.02-pxlda-helium.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.000000000000000e+00 | 2.300000000000000e-07 | 1.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e+00 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 1.0, precision: 0.00000023| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_min | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_serial | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_ppc | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_min | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi_min | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_debug | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_opt | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_serial | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_debug | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_omp | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_opt | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023b_serial | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_omp | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_serial_omp | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial_omp | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_impi | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_impi_omp | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_valgrind | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |