Match comparison for Exchange energy (match type 25703)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.039404350000000e+00 | 1.020000000000000e-07 | -2.039373051176470e+00 | 6.761318648641163e-05 | -2.039315670000000e+00 | 8.867999999995213e-05 | FAIL |
Checks for this match
- MPI builders have different values. Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -2.03940435, precision: 0.000000102| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -2.039404350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial: [foss2023a-serial] | -2.039404350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | -2.039404350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -2.039404350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| ppc: [foss2023a-serial] | -2.039404350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -2.039404350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -2.039404350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel: [intel2023a-mpi] | -2.039404350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel: [foss2023a-mpi] | -2.039404350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -2.039404350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -2.039404350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -2.039404350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -2.039226990000000e+00 | 1.773599999999043e-04 | 1.738823529410826e+03 | FAIL |
| intel-serial-debug: [intel2023a-serial] | -2.039404350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -2.039404350000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -2.039226990000000e+00 | 1.773599999999043e-04 | 1.738823529410826e+03 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -2.039226990000000e+00 | 1.773599999999043e-04 | 1.738823529410826e+03 | FAIL |