Match comparison for Total energy (match type 21419)

Commits > Commit bf0f47cf3302df97f9487d18148dd4e0cf599eb9 > 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 -4.884828460900000e+02 0.000000000000000e+00 -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-2022a_ppc -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
cmake_foss_2022a_full_serial -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
cmake_foss_2022a_min_serial -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
cmake_foss_2022a_full_mpi -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
cmake_foss_2022a_min_mpi -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
eb_foss-2022a -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
eb_foss-2022a_debug -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
eb_foss-2022b_libxc6 -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
eb_foss-2022a_mpi -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss-2022a_opt -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss-2022a_omp -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
eb_foss-2022b_libxc6_mpi -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
intel-2022a -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
eb_foss-2022a_mpi_debug -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
intel-2022b -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
spack_foss-2022a_serial -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
intel-2022a_omp -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
intel-2022a_impi -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
spack_foss-2022a_serial_min -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
foss-2022a_mpi_omp -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
intel-2022b_impi -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
spack_foss-2022a_serial_debug -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
spack_foss-2022a_serial_omp -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
eb_foss-2022a_valgrind -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS
intel-2022a_omp_impi -4.884828460900000e+02 -5.684341886080801e-14 -2.329648313967541e-07 PASS