Match comparison for Total energy (match type 21419)

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Input 24-hartree_fock_1D.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.884828460900000e+02 2.440000000000000e-07 -4.884828460900001e+02 1.136868377216160e-13 -4.884828460900000e+02 0.000000000000000e+00 PASS
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Detailed information

Reference: -488.48284608999995, precision: 0.000000244
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_cmake: [foss2022a-serial, foss-full] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_min_autotools: [foss2023a-serial] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_min_autotools: [foss2023b-serial] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_min_autotools: [foss2022a-serial] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_opt_autotools: [foss2023a-serial] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_autotools: [foss2023a-serial] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_autotools: [foss2023b-serial] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_autotools: [foss2022a-serial] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
intel_autotools: [intel2023a-serial] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_omp_autotools: [foss2023a-serial] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_mpi_autotools: [foss2023a-mpi] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
intel_omp_autotools: [intel2023a-serial] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_mpi_autotools: [foss2022a-mpi] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
intel_omp_autotools: [intel2022a-serial] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_debug_autotools: [foss2023a-serial] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_ppc_autotools: [foss2022a-serial] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
intel_mpi_autotools: [intel2023a-mpi] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss_valgrind_autotools: [foss2023a-serial] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS