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 | -2.181954602727272e+00 | 1.658674667614809e-06 | -2.181955975000000e+00 | 2.405000000038626e-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: -2.1819516, precision: 0.00000741| Run | Value | Difference | Relative difference | Status |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -2.181958380000000e+00 | -6.780000000095043e-06 | -9.149797570978466e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.181958380000000e+00 | -6.780000000095043e-06 | -9.149797570978466e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -2.181953600000000e+00 | -1.999999999835467e-06 | -2.699055330412236e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -2.181953600000000e+00 | -1.999999999835467e-06 | -2.699055330412236e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -2.181953600000000e+00 | -1.999999999835467e-06 | -2.699055330412236e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -2.181953600000000e+00 | -1.999999999835467e-06 | -2.699055330412236e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -2.181953600000000e+00 | -1.999999999835467e-06 | -2.699055330412236e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -2.181953600000000e+00 | -1.999999999835467e-06 | -2.699055330412236e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -2.181953570000000e+00 | -1.970000000017791e-06 | -2.658569500698773e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -2.181955890000000e+00 | -4.289999999684824e-06 | -5.789473683785187e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -2.181953600000000e+00 | -1.999999999835467e-06 | -2.699055330412236e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -2.181953600000000e+00 | -1.999999999835467e-06 | -2.699055330412236e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.181956860000000e+00 | -5.260000000006926e-06 | -7.098515519577497e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -2.181953870000000e+00 | -2.269999999970906e-06 | -3.063427800230643e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.181956840000000e+00 | -5.239999999684386e-06 | -7.071524965835878e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -2.181953600000000e+00 | -1.999999999835467e-06 | -2.699055330412236e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -2.181953570000000e+00 | -1.970000000017791e-06 | -2.658569500698773e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -2.181953600000000e+00 | -1.999999999835467e-06 | -2.699055330412236e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -2.181953600000000e+00 | -1.999999999835467e-06 | -2.699055330412236e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -2.181953600000000e+00 | -1.999999999835467e-06 | -2.699055330412236e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -2.181953870000000e+00 | -2.269999999970906e-06 | -3.063427800230643e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.181956830000000e+00 | -5.229999999745161e-06 | -7.058029689264724e-01 | PASS |