Match comparison for Hartree energy (match type 23419)
Commits >
Commit 701869cc1eb5c6c77a64efba9e1ed1058e4204f9 >
Input 03-ACBN0_restricted.02-lif_unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 8.278887590000000e+00 | 4.140000000000000e-07 | 8.278913144500001e+00 | 8.283987768439067e-05 | 8.279075434999999e+00 | 1.878450000001308e-04 | FAIL |
Checks for this match
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Detailed information
Reference: 8.27888759, precision: 0.000000414| Run | Value | Difference | Relative difference | Status |
| foss-serial-zen4: [foss2023a-serial] | 8.278887590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-serial: [intel2023a-serial] | 8.278887590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | 8.278887590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel: [intel2023a-mpi] | 8.278887590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 8.278887590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| valgrind: [foss2023a-serial] | 8.278887590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-zen4: [foss2023a-mpi] | 8.278887590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel-zen4: [foss2023a-mpi] | 8.278887590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 8.278887590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 8.278887590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial: [foss2023a-serial] | 8.278887590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| ppc: [foss2023a-serial] | 8.278887590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 8.278887590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-serial-debug: [intel2023a-serial] | 8.278887590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel: [foss2023a-mpi] | 8.278887590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 8.278887590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | 8.278887590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 8.278955290000001e+00 | 6.770000000067000e-05 | 1.635265700499276e+02 | FAIL |
| foss-min-parallel: [foss2022a-mpi] | 8.279263280000000e+00 | 3.756900000002616e-04 | 9.074637681165741e+02 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 8.278955290000001e+00 | 6.770000000067000e-05 | 1.635265700499276e+02 | FAIL |