Match comparison for Hartree energy (match type 30882)

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Input 01-nio.01-U5-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
6.827684844000001e+01 3.660000000000000e-06 6.827684847133334e+01 9.652624287063384e-07 6.827684862999999e+01 1.369999999667471e-06 PASS

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Detailed information

Reference: 68.27684844000001, precision: 0.00000366
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] 6.827684961000000e+01 1.169999990224824e-06 3.196721284767278e-01 PASS
foss_min_autotools: [foss2023a-serial] 6.827684757000000e+01 -8.700000080352766e-07 -2.377049202282176e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 6.827684961000000e+01 1.169999990224824e-06 3.196721284767278e-01 PASS
foss_min_autotools: [foss2022a-serial] 6.827684961000000e+01 1.169999990224824e-06 3.196721284767278e-01 PASS
foss_min_autotools: [foss2023b-serial] 6.827684757000000e+01 -8.700000080352766e-07 -2.377049202282176e-01 PASS
foss_autotools: [foss2022a-serial] 6.827684961000000e+01 1.169999990224824e-06 3.196721284767278e-01 PASS
foss_autotools: [foss2023b-serial] 6.827684757000000e+01 -8.700000080352766e-07 -2.377049202282176e-01 PASS
intel_autotools: [intel2023a-serial] 6.827684759000000e+01 -8.500000063804691e-07 -2.322404389017675e-01 PASS
foss_autotools: [foss2023a-serial] 6.827684757000000e+01 -8.700000080352766e-07 -2.377049202282176e-01 PASS
foss_opt_autotools: [foss2023a-serial] 6.827684757000000e+01 -8.700000080352766e-07 -2.377049202282176e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 6.827684791000000e+01 -5.300000083252598e-07 -1.448087454440601e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 6.827684985000000e+01 1.409999995871658e-06 3.852459005113820e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 6.827684791000000e+01 -5.300000083252598e-07 -1.448087454440601e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 6.827684985000000e+01 1.409999995871658e-06 3.852459005113820e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 6.827684791000000e+01 -5.300000083252598e-07 -1.448087454440601e-01 PASS
foss_omp_autotools: [foss2023a-serial] 6.827684871000000e+01 2.699999868127634e-07 7.377048820020857e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 6.827684791000000e+01 -5.300000083252598e-07 -1.448087454440601e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 6.827684791000000e+01 -5.300000083252598e-07 -1.448087454440601e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 6.827684985000000e+01 1.409999995871658e-06 3.852459005113820e-01 PASS
intel_omp_autotools: [intel2023a-serial] 6.827684945000000e+01 1.009999991197219e-06 2.759562817478741e-01 PASS
intel_omp_autotools: [intel2022a-serial] 6.827684735000000e+01 -1.090000012027303e-06 -2.978142109364217e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 6.827684985000000e+01 1.409999995871658e-06 3.852459005113820e-01 PASS
foss_debug_autotools: [foss2023a-serial] 6.827684757000000e+01 -8.700000080352766e-07 -2.377049202282176e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 6.827684850000000e+01 5.999999075356754e-08 1.639344009660315e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] 6.827684747000001e+01 -9.700000020984589e-07 -2.650273229777210e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 6.827684791000000e+01 -5.300000083252598e-07 -1.448087454440601e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 6.827684803000000e+01 -4.100000126072700e-07 -1.120218613681066e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 6.827684906000000e+01 6.199999944556112e-07 1.693989055889648e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 6.827684726000000e+01 -1.180000012368509e-06 -3.224043749640736e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 6.827685000000000e+01 1.559999986966432e-06 4.262295046356370e-01 PASS