Match comparison for Exchange energy (match type 25789)

Commits > Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d > Input 18-TiO2.02-gs_kerker.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.132403024000000e+01 1.570000000000000e-07 -3.132403023250000e+01 4.999999025923197e-09 -3.132403024000000e+01 9.999999051046871e-09 PASS
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Detailed information

Reference: -31.32403024, precision: 0.000000157
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -3.132403025000000e+01 -1.000000082740371e-08 -6.369427278601089e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
foss-serial-min: [foss2023a-serial] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
foss-serial-min: [foss2023b-serial] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
foss-serial-full: [foss2023a-serial] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
foss-serial-min: [foss2022a-serial] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
foss-ppc: [foss2022a-serial] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
foss-serial-full: [foss2023b-serial] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
foss-opt-full: [foss2023a-serial] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
foss_cmake: [foss2022a-serial, foss-min] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
intel_omp_autotools: [intel2022a-serial] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
intel_omp_autotools: [intel2023a-serial] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
foss-serial-debug: [foss2023a-serial] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
intel-serial: [intel2023a-serial] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
foss-omp-full: [foss2023a-serial] -3.132403024000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.132403024000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-opt-full: [foss2023a-mpi] -3.132403024000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.132403024000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-full: [foss2023a-mpi] -3.132403024000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
foss-mpi-debug: [foss2023a-mpi] -3.132403024000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-min: [foss2022a-mpi] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
foss-mpi-min: [foss2023a-mpi] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
foss-mpi-omp-full: [foss2023a-mpi] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
cuda-serial: [foss2022a-cuda-mpi] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] -3.132403023000000e+01 9.999997274690031e-09 6.369425015726135e-02 PASS