Match comparison for Hartree energy (match type 30833)

Commits > Commit 98d0ca144537205e7b2aa0b44074de55ddb8c97d > Input 07-noncollinear.02-acbn0.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.410202582500000e+01 8.660000000000000e-06 3.410202817705881e+01 5.024665941086721e-06 3.410202582500000e+01 7.875000001433818e-06 PASS
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Detailed information

Reference: 34.102025825, precision: 0.00000866
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 3.410202157000000e+01 -4.255000000341624e-06 -4.913394919563077e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 3.410201939000000e+01 -6.434999995974522e-06 -7.430715930686514e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 3.410201962000000e+01 -6.204999998260519e-06 -7.165127018776580e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 3.410202363000000e+01 -2.195000000426717e-06 -2.534642032825308e-01 PASS
foss-serial-min: [foss2022a-serial] 3.410203370000000e+01 7.875000001433818e-06 9.093533488953601e-01 PASS
foss_autotools: [foss2022a-serial] 3.410203370000000e+01 7.875000001433818e-06 9.093533488953601e-01 PASS
foss_autotools: [foss2023a-serial] 3.410203370000000e+01 7.875000001433818e-06 9.093533488953601e-01 PASS
foss_autotools: [foss2023b-serial] 3.410203370000000e+01 7.875000001433818e-06 9.093533488953601e-01 PASS
foss-serial-min: [foss2023a-serial] 3.410203370000000e+01 7.875000001433818e-06 9.093533488953601e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.410202058000000e+01 -5.244999996989463e-06 -6.056581982666817e-01 PASS
intel_autotools: [intel2023a-serial] 3.410203040000000e+01 4.574999998396834e-06 5.282909928864704e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 3.410201795000000e+01 -7.875000001433818e-06 -9.093533488953601e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 3.410202571000000e+01 -1.149999988570016e-07 -1.327944559549672e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] 3.410202571000000e+01 -1.149999988570016e-07 -1.327944559549672e-02 PASS
foss_mpi_autotools: [foss2022a-mpi] 3.410202571000000e+01 -1.149999988570016e-07 -1.327944559549672e-02 PASS
intel_omp_autotools: [intel2022a-serial] 3.410203142000000e+01 5.595000004632311e-06 6.460739035372184e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 3.410202571000000e+01 -1.149999988570016e-07 -1.327944559549672e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 3.410203325000000e+01 7.424999999727788e-06 8.573903001995137e-01 PASS
foss-serial-min: [foss2023b-serial] 3.410203370000000e+01 7.875000001433818e-06 9.093533488953601e-01 PASS
foss-opt-full: [foss2023a-serial] 3.410203370000000e+01 7.875000001433818e-06 9.093533488953601e-01 PASS
intel_omp_autotools: [intel2023a-serial] 3.410203066000000e+01 4.834999998593048e-06 5.583140875973497e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 3.410203370000000e+01 7.875000001433818e-06 9.093533488953601e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.410203370000000e+01 7.875000001433818e-06 9.093533488953601e-01 PASS
foss-serial-debug: [foss2023a-serial] 3.410203370000000e+01 7.875000001433818e-06 9.093533488953601e-01 PASS
foss-omp-full: [foss2023a-serial] 3.410203135000000e+01 5.524999998840485e-06 6.379907619908182e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.410203225000000e+01 6.425000002252546e-06 7.419168593825111e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.410202571000000e+01 -1.149999988570016e-07 -1.327944559549672e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.410202571000000e+01 -1.149999988570016e-07 -1.327944559549672e-02 PASS
foss-mpi-min: [foss2022a-mpi] 3.410202571000000e+01 -1.149999988570016e-07 -1.327944559549672e-02 PASS
foss-mpi-min: [foss2023a-mpi] 3.410202571000000e+01 -1.149999988570016e-07 -1.327944559549672e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.410202571000000e+01 -1.149999988570016e-07 -1.327944559549672e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.410202571000000e+01 -1.149999988570016e-07 -1.327944559549672e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.410202988000000e+01 4.055000005109832e-06 4.682448042852000e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.410202197000000e+01 -3.854999995667185e-06 -4.451501149731161e-01 PASS