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 | 4.641743738421052e+00 | 6.824609696394966e-06 | 4.641749825000000e+00 | 1.153500000006247e-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-serial-zen4: [foss2023a-serial] | 4.641743520000000e+00 | 9.120000000528705e-06 | 4.750000000275367e-01 | PASS |
| intel-serial: [intel2023a-serial] | 4.641739450000000e+00 | 5.050000000395016e-06 | 2.630208333539071e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 4.641739500000000e+00 | 5.100000000091143e-06 | 2.656250000047470e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | 4.641747970000000e+00 | 1.357000000012931e-05 | 7.067708333400684e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 4.641747940000000e+00 | 1.354000000031164e-05 | 7.052083333495645e-01 | PASS |
| foss-parallel-zen4: [foss2023a-mpi] | 4.641739060000000e+00 | 4.660000000100695e-06 | 2.427083333385779e-01 | PASS |
| foss-min-parallel-zen4: [foss2023a-mpi] | 4.641739060000000e+00 | 4.660000000100695e-06 | 2.427083333385779e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 4.641740230000000e+00 | 5.830000000095481e-06 | 3.036458333383063e-01 | PASS |
| foss-serial: [foss2023a-serial] | 4.641739500000000e+00 | 5.100000000091143e-06 | 2.656250000047470e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 4.641740230000000e+00 | 5.830000000095481e-06 | 3.036458333383063e-01 | PASS |
| ppc: [foss2023a-serial] | 4.641745450000000e+00 | 1.105000000034551e-05 | 5.755208333513284e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 4.641747980000000e+00 | 1.358000000006854e-05 | 7.072916666702364e-01 | PASS |
| intel-serial-debug: [intel2023a-serial] | 4.641739450000000e+00 | 5.050000000395016e-06 | 2.630208333539071e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | 4.641740230000000e+00 | 5.830000000095481e-06 | 3.036458333383063e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 4.641740230000000e+00 | 5.830000000095481e-06 | 3.036458333383063e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 4.641761360000000e+00 | 2.696000000046439e-05 | 1.404166666690854e+00 | FAIL |
| valgrind: [foss2023a-serial] | 4.641738290000000e+00 | 3.890000000339455e-06 | 2.026041666843466e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | 4.641740230000000e+00 | 5.830000000095481e-06 | 3.036458333383063e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 4.641761350000000e+00 | 2.695000000052516e-05 | 1.403645833360686e+00 | FAIL |