Match comparison for Hartree energy (match type 30833)

Commits > Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 > Input 07-noncollinear.02-acbn0.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.410202852000000e+01 1.020000000000000e-05 3.410201125218750e+01 3.689048600664643e-06 3.410200963500000e+01 6.644999999139145e-06 FAIL

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Detailed information

Reference: 34.10202852, precision: 0.0000102
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 3.410200996000000e+01 -1.856000000088898e-05 -1.819607843224409e+00 FAIL
foss-cmake-zen4: [foss2023a-serial, foss-full] 3.410201089000000e+01 -1.762999999499471e-05 -1.728431372058304e+00 FAIL
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 3.410201128000000e+01 -1.723999999825310e-05 -1.690196078260108e+00 FAIL
foss_cmake: [foss2022a-serial, foss-min] 3.410200891000000e+01 -1.960999999539581e-05 -1.922549019156452e+00 FAIL
foss-serial-min: [foss2023a-serial] 3.410200891000000e+01 -1.960999999539581e-05 -1.922549019156452e+00 FAIL
foss-serial-min: [foss2022a-serial] 3.410200891000000e+01 -1.960999999539581e-05 -1.922549019156452e+00 FAIL
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 3.410200834000000e+01 -2.017999999992526e-05 -1.978431372541692e+00 FAIL
foss_cmake: [foss2022a-serial, foss-full] 3.410200891000000e+01 -1.960999999539581e-05 -1.922549019156452e+00 FAIL
foss-serial-min: [foss2023b-serial] 3.410200891000000e+01 -1.960999999539581e-05 -1.922549019156452e+00 FAIL
foss-serial-full: [foss2023b-serial] 3.410201628000000e+01 -1.223999999666603e-05 -1.199999999673140e+00 FAIL
foss-serial-full: [foss2023a-serial] 3.410200891000000e+01 -1.960999999539581e-05 -1.922549019156452e+00 FAIL
intel_autotools: [intel2023a-serial] 3.410200299000000e+01 -2.552999999494432e-05 -2.502941175974933e+00 FAIL
foss-opt-full: [foss2023a-serial] 3.410200891000000e+01 -1.960999999539581e-05 -1.922549019156452e+00 FAIL
foss-ppc: [foss2022a-serial] 3.410200999000000e+01 -1.852999999840677e-05 -1.816666666510467e+00 FAIL
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.410201597000000e+01 -1.255000000099926e-05 -1.230392156960712e+00 FAIL
foss-serial-debug: [foss2023a-serial] 3.410200891000000e+01 -1.960999999539581e-05 -1.922549019156452e+00 FAIL
intel_omp_autotools: [intel2022a-serial] 3.410200372000000e+01 -2.479999999849269e-05 -2.431372548871833e+00 FAIL
foss-mpi-opt-full: [foss2023a-mpi] 3.410201597000000e+01 -1.255000000099926e-05 -1.230392156960712e+00 FAIL
intel_omp_autotools: [intel2023a-serial] 3.410201329000000e+01 -1.522999999536978e-05 -1.493137254448018e+00 FAIL
foss-omp-full: [foss2023a-serial] 3.410201120000000e+01 -1.731999999776690e-05 -1.698039215467343e+00 FAIL
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.410201597000000e+01 -1.255000000099926e-05 -1.230392156960712e+00 FAIL
foss-mpi-full: [foss2023a-mpi] 3.410201597000000e+01 -1.255000000099926e-05 -1.230392156960712e+00 FAIL
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.410200906000000e+01 -1.945999999719561e-05 -1.907843136979962e+00 FAIL
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.410201597000000e+01 -1.255000000099926e-05 -1.230392156960712e+00 FAIL
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.410201597000000e+01 -1.255000000099926e-05 -1.230392156960712e+00 FAIL
foss-mpi-min: [foss2023a-mpi] 3.410201597000000e+01 -1.255000000099926e-05 -1.230392156960712e+00 FAIL
intel_mpi_autotools: [intel2023a-mpi] 3.410201161000000e+01 -1.690999999937048e-05 -1.657843137193185e+00 FAIL
foss_mpi_debug_autotools: [foss2023a-mpi] 3.410201597000000e+01 -1.255000000099926e-05 -1.230392156960712e+00 FAIL
foss-mpi-min: [foss2022a-mpi] 3.410201597000000e+01 -1.255000000099926e-05 -1.230392156960712e+00 FAIL
foss-mpi-omp-full: [foss2023a-mpi] 3.410200775000000e+01 -2.076999999900409e-05 -2.036274509706283e+00 FAIL
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.410200987000000e+01 -1.864999999412476e-05 -1.828431371973015e+00 FAIL
intel_mpi_omp_autotools: [intel2022a-mpi] 3.410200883000000e+01 -1.968999999490961e-05 -1.930392156363687e+00 FAIL