Match comparison for Hartree energy (match type 28370)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.729323236000000e+01 | 1.900000000000000e-06 | 1.729348735250000e+01 | 6.725983239226622e-04 | 1.729424948500000e+01 | 1.017394999999865e-03 | 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: 17.293232359999998, precision: 0.0000019| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | 1.729323342000000e+01 | 1.060000002439665e-06 | 5.578947381261394e-01 | PASS |
| foss-serial: [foss2023a-serial] | 1.729323353000000e+01 | 1.170000000882965e-06 | 6.157894741489288e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 1.729323353000000e+01 | 1.170000000882965e-06 | 6.157894741489288e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 1.729323262000000e+01 | 2.600000037489281e-07 | 1.368421072362779e-01 | PASS |
| ppc: [foss2023a-serial] | 1.729323209000000e+01 | -2.699999974709044e-07 | -1.421052618267918e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 1.729323347000000e+01 | 1.110000003023970e-06 | 5.842105279073525e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 1.729323347000000e+01 | 1.110000003023970e-06 | 5.842105279073525e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | 1.729323262000000e+01 | 2.600000037489281e-07 | 1.368421072362779e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | 1.729323347000000e+01 | 1.110000003023970e-06 | 5.842105279073525e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 1.729323347000000e+01 | 1.110000003023970e-06 | 5.842105279073525e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 1.729323262000000e+01 | 2.600000037489281e-07 | 1.368421072362779e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | 1.729323353000000e+01 | 1.170000000882965e-06 | 6.157894741489288e-01 | PASS |
| intel-serial-debug: [intel2023a-serial] | 1.729323342000000e+01 | 1.060000002439665e-06 | 5.578947381261394e-01 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | 1.729323262000000e+01 | 2.600000037489281e-07 | 1.368421072362779e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 1.729526688000000e+01 | 2.034520000002260e-03 | 1.070800000001190e+03 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 1.729526688000000e+01 | 2.034520000002260e-03 | 1.070800000001190e+03 | FAIL |