Match comparison for Exchange energy (orbitals) (match type 30563)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.181951000000000e+00 | 1.090000000000000e-05 | -2.181955400000000e+00 | 2.576819745307102e-06 | -2.181957500000000e+00 | 4.499999999962867e-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: -2.181951, precision: 0.0000109| Run | Value | Difference | Relative difference | Status |
| foss-serial-zen4: [foss2023a-serial] | -2.181955000000000e+00 | -3.999999999670933e-06 | -3.669724770340306e-01 | PASS |
| intel-serial: [intel2023a-serial] | -2.181954000000000e+00 | -2.999999999975245e-06 | -2.752293577958940e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -2.181954000000000e+00 | -2.999999999975245e-06 | -2.752293577958940e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -2.181957000000000e+00 | -5.999999999950489e-06 | -5.504587155917879e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | -2.181957000000000e+00 | -5.999999999950489e-06 | -5.504587155917879e-01 | PASS |
| foss-parallel-zen4: [foss2023a-mpi] | -2.181953000000000e+00 | -1.999999999835467e-06 | -1.834862385170153e-01 | PASS |
| valgrind: [foss2023a-serial] | -2.181953000000000e+00 | -1.999999999835467e-06 | -1.834862385170153e-01 | PASS |
| foss-min-parallel-zen4: [foss2023a-mpi] | -2.181953000000000e+00 | -1.999999999835467e-06 | -1.834862385170153e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -2.181954000000000e+00 | -2.999999999975245e-06 | -2.752293577958940e-01 | PASS |
| foss-serial: [foss2023a-serial] | -2.181954000000000e+00 | -2.999999999975245e-06 | -2.752293577958940e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -2.181954000000000e+00 | -2.999999999975245e-06 | -2.752293577958940e-01 | PASS |
| ppc: [foss2023a-serial] | -2.181956000000000e+00 | -4.999999999810711e-06 | -4.587155963129093e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -2.181962000000000e+00 | -1.099999999976120e-05 | -1.009174311904697e+00 | FAIL |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -2.181957000000000e+00 | -5.999999999950489e-06 | -5.504587155917879e-01 | PASS |
| intel-serial-debug: [intel2023a-serial] | -2.181954000000000e+00 | -2.999999999975245e-06 | -2.752293577958940e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | -2.181954000000000e+00 | -2.999999999975245e-06 | -2.752293577958940e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -2.181954000000000e+00 | -2.999999999975245e-06 | -2.752293577958940e-01 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -2.181957000000000e+00 | -5.999999999950489e-06 | -5.504587155917879e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -2.181962000000000e+00 | -1.099999999976120e-05 | -1.009174311904697e+00 | FAIL |
| foss-min-parallel: [foss2022a-mpi] | -2.181954000000000e+00 | -2.999999999975245e-06 | -2.752293577958940e-01 | PASS |