Match comparison for Hartree energy (match type 30556)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.641734400000000e+00 | 1.920000000000000e-05 | 4.641743265384616e+00 | 6.291798832292987e-06 | 4.641750425000000e+00 | 1.092500000021701e-05 | FAIL |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 4.6417344, precision: 0.0000192| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | 4.641743520000000e+00 | 9.120000000528705e-06 | 4.750000000275367e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 4.641739500000000e+00 | 5.100000000091143e-06 | 2.656250000047470e-01 | PASS |
| foss-ppc: [foss2022a-serial] | 4.641745450000000e+00 | 1.105000000034551e-05 | 5.755208333513284e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | 4.641740230000000e+00 | 5.830000000095481e-06 | 3.036458333383063e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | 4.641739500000000e+00 | 5.100000000091143e-06 | 2.656250000047470e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | 4.641739500000000e+00 | 5.100000000091143e-06 | 2.656250000047470e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 4.641739500000000e+00 | 5.100000000091143e-06 | 2.656250000047470e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | 4.641739500000000e+00 | 5.100000000091143e-06 | 2.656250000047470e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | 4.641739500000000e+00 | 5.100000000091143e-06 | 2.656250000047470e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | 4.641739500000000e+00 | 5.100000000091143e-06 | 2.656250000047470e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 4.641743520000000e+00 | 9.120000000528705e-06 | 4.750000000275367e-01 | PASS |
| cuda-mpi: [foss2022a-cuda-mpi] | 4.641761350000000e+00 | 2.695000000052516e-05 | 1.403645833360686e+00 | FAIL |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 4.641751880000000e+00 | 1.748000000034722e-05 | 9.104166666847510e-01 | PASS |