Match comparison for Exchange energy (orbitals) (match type 30563)

Commits > Commit 69bdc22e524ab1df7701119670aff9b913714e90 > Input 18-mgga.02-br89_oep.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.181951000000000e+00 1.090000000000000e-05 -2.181954181818182e+00 1.866036887102307e-06 -2.181951000000000e+00 6.000000000172534e-06 PASS

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Detailed information

Reference: -2.181951, precision: 0.0000109
Run Value Difference Relative difference Status
intel_mpi_omp_autotools: [intel2022a-mpi] -2.181957000000000e+00 -5.999999999950489e-06 -5.504587155917879e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -2.181945000000000e+00 6.000000000394579e-06 5.504587156325301e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] -2.181955000000000e+00 -3.999999999670933e-06 -3.669724770340306e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -2.181955000000000e+00 -3.999999999670933e-06 -3.669724770340306e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -2.181955000000000e+00 -3.999999999670933e-06 -3.669724770340306e-01 PASS
foss_autotools: [foss2022a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_ppc_autotools: [foss2022a-serial] -2.181956000000000e+00 -4.999999999810711e-06 -4.587155963129093e-01 PASS
foss_autotools: [foss2023b-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_autotools: [foss2023a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -2.181955000000000e+00 -3.999999999670933e-06 -3.669724770340306e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
intel_autotools: [intel2023a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-serial-min: [foss2022a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-serial-min: [foss2023b-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-serial-min: [foss2023a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-opt-full: [foss2023a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
intel_omp_autotools: [intel2022a-serial] -2.181957000000000e+00 -5.999999999950489e-06 -5.504587155917879e-01 PASS
intel_omp_autotools: [intel2023a-serial] -2.181957000000000e+00 -5.999999999950489e-06 -5.504587155917879e-01 PASS
foss-serial-debug: [foss2023a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-omp-full: [foss2023a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS