Match comparison for Exchange energy (match type 29768)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.282713600000000e+00 | 2.540000000000000e-04 | -3.282941714000001e+00 | 9.017597610068111e-07 | -3.282942595000000e+00 | 1.594999999854352e-06 | PASS |
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: -3.2827136, precision: 0.000254| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -3.282941270000000e+00 | -2.276699999996801e-04 | -8.963385826759058e-01 | PASS |
| foss-serial: [foss2023a-serial] | -3.282941320000000e+00 | -2.277199999998203e-04 | -8.965354330701586e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.282941530000000e+00 | -2.279299999998763e-04 | -8.973622047239224e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -3.282941000000000e+00 | -2.273999999999887e-04 | -8.952755905511367e-01 | PASS |
| ppc: [foss2023a-serial] | -3.282941330000000e+00 | -2.277299999997595e-04 | -8.965748031486596e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -3.282941420000000e+00 | -2.278200000001007e-04 | -8.969291338586642e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -3.282941450000000e+00 | -2.278499999999184e-04 | -8.970472440941669e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | -3.282941180000000e+00 | -2.275799999997830e-04 | -8.959842519676494e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | -3.282941420000000e+00 | -2.278200000001007e-04 | -8.969291338586642e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -3.282941200000000e+00 | -2.275999999996614e-04 | -8.960629921246512e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -3.282941610000000e+00 | -2.280099999998342e-04 | -8.976771653536779e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -3.282941530000000e+00 | -2.279299999998763e-04 | -8.973622047239224e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -3.282941510000000e+00 | -2.279099999999978e-04 | -8.972834645669207e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -3.282944190000000e+00 | -2.305899999996974e-04 | -9.078346456681001e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -3.282943750000000e+00 | -2.301499999997070e-04 | -9.061023622035708e-01 | PASS |