Match comparison for Eigenvalues energy (match type 29228)
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
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 |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-ppc: [foss2022a-serial] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-min: [foss2022a-serial] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-min: [foss2023a-serial] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-full: [foss2023a-serial] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-full: [foss2023b-serial] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-min: [foss2023b-serial] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-opt-full: [foss2023a-serial] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-omp-full: [foss2023a-serial] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-serial: [intel2023a-serial] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| valgrind: [foss2023a-serial] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -6.235058800000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |