Match comparison for Hartree energy (match type 23860)

Commits > Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 > Input 25-Fe_polarized.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
6.510589381000000e+01 3.590000000000000e-06 6.510589405000000e+01 8.523973547237224e-07 6.510589332000001e+01 1.709999999377487e-06 PASS

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: 65.10589381, precision: 0.00000359
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 6.510589397000000e+01 1.599999990276046e-07 4.456824485448597e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 6.510589161000000e+01 -2.199999997287705e-06 -6.128133697180237e-01 PASS
foss-ppc: [foss2022a-serial] 6.510589413000000e+01 3.199999980552093e-07 8.913648970897195e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 6.510589417000000e+01 3.600000013648241e-07 1.002785519122073e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 6.510589450000001e+01 6.900000073528645e-07 1.922005591512157e-01 PASS
foss-serial-full: [foss2023a-serial] 6.510589338000000e+01 -4.300000000512227e-07 -1.197771587886414e-01 PASS
foss-serial-full: [foss2023b-serial] 6.510589338000000e+01 -4.300000000512227e-07 -1.197771587886414e-01 PASS
intel_omp_autotools: [intel2022a-serial] 6.510589456000000e+01 7.499999981064320e-07 2.089136484976134e-01 PASS
intel_omp_autotools: [intel2023a-serial] 6.510589238000000e+01 -1.429999997526465e-06 -3.983286901187926e-01 PASS
foss-serial-min: [foss2022a-serial] 6.510589338000000e+01 -4.300000000512227e-07 -1.197771587886414e-01 PASS
foss-serial-debug: [foss2023a-serial] 6.510589338000000e+01 -4.300000000512227e-07 -1.197771587886414e-01 PASS
foss-serial-min: [foss2023a-serial] 6.510589338000000e+01 -4.300000000512227e-07 -1.197771587886414e-01 PASS
foss-serial-min: [foss2023b-serial] 6.510589338000000e+01 -4.300000000512227e-07 -1.197771587886414e-01 PASS
foss-opt-full: [foss2023a-serial] 6.510589338000000e+01 -4.300000000512227e-07 -1.197771587886414e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 6.510589338000000e+01 -4.300000000512227e-07 -1.197771587886414e-01 PASS
intel-serial: [intel2023a-serial] 6.510589494000000e+01 1.130000001126064e-06 3.147632315114383e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 6.510589338000000e+01 -4.300000000512227e-07 -1.197771587886414e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 6.510589423000000e+01 4.200000063292464e-07 1.169916452170603e-01 PASS
foss-omp-full: [foss2023a-serial] 6.510589398000000e+01 1.700000069604357e-07 4.735376238452248e-02 PASS
foss-mpi-opt-full: [foss2023a-mpi] 6.510589503000000e+01 1.220000001467270e-06 3.398328694894902e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 6.510589503000000e+01 1.220000001467270e-06 3.398328694894902e-01 PASS
foss-mpi-full: [foss2023a-mpi] 6.510589503000000e+01 1.220000001467270e-06 3.398328694894902e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 6.510589503000000e+01 1.220000001467270e-06 3.398328694894902e-01 PASS
foss-mpi-min: [foss2023a-mpi] 6.510589503000000e+01 1.220000001467270e-06 3.398328694894902e-01 PASS
foss-mpi-debug: [foss2023a-mpi] 6.510589503000000e+01 1.220000001467270e-06 3.398328694894902e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 6.510589503000000e+01 1.220000001467270e-06 3.398328694894902e-01 PASS
foss-mpi-min: [foss2022a-mpi] 6.510589503000000e+01 1.220000001467270e-06 3.398328694894902e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 6.510589503000000e+01 1.220000001467270e-06 3.398328694894902e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] 6.510589346000000e+01 -3.499999934319931e-07 -9.749303438217077e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 6.510589416000001e+01 3.500000076428478e-07 9.749303834062613e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 6.510589414000000e+01 3.300000059880404e-07 9.192200723900845e-02 PASS
cuda-serial: [foss2022a-cuda-mpi] 6.510589367999999e+01 -1.300000036508209e-07 -3.621170018128715e-02 PASS