Match comparison for Hartree-Fock eigenvalue up (match type 12222)

Commits > Commit 6099f031302cffa2938f492784ba2f7b55faffa3 > Input 03-xc.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.128664000000000e+00 4.400000000000000e-06 -1.128667466666667e+00 1.995550606281431e-06 -1.128664000000000e+00 4.000000000004000e-06 PASS

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Detailed information

Reference: -1.1286640000000001, precision: 0.0000044
Run Value Difference Relative difference Status
foss_mpi_min_autotools: [foss2023a-mpi] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_min_autotools: [foss2022a-serial] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_min_autotools: [foss2023a-serial] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_min_autotools: [foss2023b-serial] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_opt_autotools: [foss2023a-serial] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_autotools: [foss2022a-serial] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_autotools: [foss2023a-serial] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
intel_autotools: [intel2023a-serial] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_autotools: [foss2023b-serial] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_omp_autotools: [foss2023a-serial] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_cmake_mpi_min: [foss2022a-mpi] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
intel_omp_autotools: [intel2022a-serial] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_debug_autotools: [foss2023a-serial] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_cmake_mpi_min: [foss2023a-mpi] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
intel_omp_autotools: [intel2023a-serial] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_ppc_autotools: [foss2022a-serial] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -1.128660000000000e+00 4.000000000115023e-06 9.090909091170506e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -1.128660000000000e+00 4.000000000115023e-06 9.090909091170506e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS