Match comparison for Exchange energy (match type 30558)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.181951600000000e+00 | 7.410000000000000e-06 | -2.181955610666667e+00 | 2.802093185831889e-06 | -2.181957785000000e+00 | 4.214999999918589e-06 | 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: -2.1819516, precision: 0.00000741| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -2.181953570000000e+00 | -1.970000000017791e-06 | -2.658569500698773e-01 | PASS |
| foss-serial: [foss2023a-serial] | -2.181953600000000e+00 | -1.999999999835467e-06 | -2.699055330412236e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -2.181953600000000e+00 | -1.999999999835467e-06 | -2.699055330412236e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -2.181956830000000e+00 | -5.229999999745161e-06 | -7.058029689264724e-01 | PASS |
| ppc: [foss2023a-serial] | -2.181955890000000e+00 | -4.289999999684824e-06 | -5.789473683785187e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -2.181953870000000e+00 | -2.269999999970906e-06 | -3.063427800230643e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -2.181953870000000e+00 | -2.269999999970906e-06 | -3.063427800230643e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | -2.181956860000000e+00 | -5.260000000006926e-06 | -7.098515519577497e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | -2.181953870000000e+00 | -2.269999999970906e-06 | -3.063427800230643e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -2.181953870000000e+00 | -2.269999999970906e-06 | -3.063427800230643e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -2.181956860000000e+00 | -5.260000000006926e-06 | -7.098515519577497e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -2.181953600000000e+00 | -1.999999999835467e-06 | -2.699055330412236e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -2.181953870000000e+00 | -2.269999999970906e-06 | -3.063427800230643e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -2.181962000000000e+00 | -1.039999999985497e-05 | -1.403508771910252e+00 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -2.181962000000000e+00 | -1.039999999985497e-05 | -1.403508771910252e+00 | FAIL |