Match comparison for Exchange energy (match type 32213)

Commits > Commit d89ed1adec8f63937926022ba961c15ddb98b66b > Input 01-nio.01-U5-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.092393220000000e+01 1.550000000000000e-06 -3.092393193875000e+01 1.500781050434047e-07 -3.092393221000000e+01 3.100000007805193e-07 PASS

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Detailed information

Reference: -30.9239322, precision: 0.00000155
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-ppc: [foss2022a-serial] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
intel_omp_autotools: [intel2022a-serial] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-serial-min: [foss2022a-serial] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-serial-min: [foss2023a-serial] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
intel_omp_autotools: [intel2023a-serial] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-serial-full: [foss2023a-serial] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-serial-full: [foss2023b-serial] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-serial-min: [foss2023b-serial] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-serial-debug: [foss2023a-serial] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-opt-full: [foss2023a-serial] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-omp-full: [foss2023a-serial] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
intel-serial: [intel2023a-serial] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-mpi-full: [foss2023a-mpi] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-mpi-min: [foss2022a-mpi] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-mpi-min: [foss2023a-mpi] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -3.092393190000000e+01 2.999999999531155e-07 1.935483870665262e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.092393252000000e+01 -3.200000016079230e-07 -2.064516139405955e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -3.092393252000000e+01 -3.200000016079230e-07 -2.064516139405955e-01 PASS