Match comparison for External energy (match type 21424)

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Input 24-hartree_fock_1D.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.602756032300000e+02 2.300000000000000e-07 -4.602756032300001e+02 1.136868377216160e-13 -4.602756032300000e+02 0.000000000000000e+00 PASS
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Detailed information

Reference: -460.27560323, precision: 0.00000023
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_min_autotools: [foss2023a-serial] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-serial, foss-full] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_min_autotools: [foss2022a-serial] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_min_autotools: [foss2023b-serial] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_autotools: [foss2022a-serial] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_autotools: [foss2023b-serial] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_autotools: [intel2023a-serial] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_autotools: [foss2023a-serial] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_opt_autotools: [foss2023a-serial] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_omp_autotools: [foss2023a-serial] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_mpi_autotools: [foss2023a-mpi] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_mpi_autotools: [foss2022a-mpi] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_omp_autotools: [intel2023a-serial] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_omp_autotools: [intel2022a-serial] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_debug_autotools: [foss2023a-serial] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_ppc_autotools: [foss2022a-serial] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_mpi_autotools: [intel2023a-mpi] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_valgrind_autotools: [foss2023a-serial] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -4.602756032300000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS