Match comparison for Exchange energy (match type 25723)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.044431610000000e+00 | 1.020000000000000e-07 | -2.044391147647059e+00 | 1.033756338642655e-04 | -2.044270515000000e+00 | 1.610950000001665e-04 | FAIL |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -2.04443161, precision: 0.000000102| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -2.044431610000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial: [foss2023a-serial] | -2.044431610000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | -2.044431610000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -2.044431610000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| ppc: [foss2023a-serial] | -2.044431610000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -2.044431610000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -2.044431610000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel: [intel2023a-mpi] | -2.044431610000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel: [foss2023a-mpi] | -2.044431610000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -2.044431610000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -2.044431610000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -2.044431610000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -2.044388130000000e+00 | 4.347999999998464e-05 | 4.262745098037710e+02 | FAIL |
| intel-serial-debug: [intel2023a-serial] | -2.044431610000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -2.044431610000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -2.044109420000000e+00 | 3.221900000003330e-04 | 3.158725490199344e+03 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -2.044109420000000e+00 | 3.221900000003330e-04 | 3.158725490199344e+03 | FAIL |