Match comparison for Hartree energy (match type 30882)

Commits > Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a > Input 01-nio.01-U5-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
6.827684844000001e+01 3.660000000000000e-06 6.827684749733334e+01 1.600674720309182e-06 6.827684801999999e+01 2.520000002448342e-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] 6.827684856000000e+01 1.199999957179898e-07 3.278688407595350e-02 PASS
foss_min_autotools: [foss2022a-serial] 6.827684856000000e+01 1.199999957179898e-07 3.278688407595350e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] 6.827684856000000e+01 1.199999957179898e-07 3.278688407595350e-02 PASS
foss_min_autotools: [foss2023a-serial] 6.827684837000000e+01 -7.000001289725333e-08 -1.912568658394900e-02 PASS
foss_min_autotools: [foss2023b-serial] 6.827684837000000e+01 -7.000001289725333e-08 -1.912568658394900e-02 PASS
foss_opt_autotools: [foss2023a-serial] 6.827684837000000e+01 -7.000001289725333e-08 -1.912568658394900e-02 PASS
foss_autotools: [foss2022a-serial] 6.827684856000000e+01 1.199999957179898e-07 3.278688407595350e-02 PASS
foss_autotools: [foss2023b-serial] 6.827684837000000e+01 -7.000001289725333e-08 -1.912568658394900e-02 PASS
intel_autotools: [intel2023a-serial] 6.827684667000000e+01 -1.770000011447337e-06 -4.836065605047368e-01 PASS
foss_autotools: [foss2023a-serial] 6.827684837000000e+01 -7.000001289725333e-08 -1.912568658394900e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 6.827684549999999e+01 -2.940000015883015e-06 -8.032786928642118e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 6.827684565000000e+01 -2.790000010577387e-06 -7.622950848572095e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 6.827684549999999e+01 -2.940000015883015e-06 -8.032786928642118e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 6.827684565000000e+01 -2.790000010577387e-06 -7.622950848572095e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 6.827684549999999e+01 -2.940000015883015e-06 -8.032786928642118e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 6.827684565000000e+01 -2.790000010577387e-06 -7.622950848572095e-01 PASS
foss_debug_autotools: [foss2023a-serial] 6.827684837000000e+01 -7.000001289725333e-08 -1.912568658394900e-02 PASS
foss_omp_autotools: [foss2023a-serial] 6.827685006000000e+01 1.619999991930854e-06 4.426229486149874e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 6.827684565000000e+01 -2.790000010577387e-06 -7.622950848572095e-01 PASS
intel_omp_autotools: [intel2022a-serial] 6.827684841999999e+01 -2.000001586566214e-08 -5.464485209197304e-03 PASS
intel_omp_autotools: [intel2023a-serial] 6.827684662999999e+01 -1.810000014756952e-06 -4.945355231576370e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 6.827684549999999e+01 -2.940000015883015e-06 -8.032786928642118e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 6.827684811000000e+01 -3.300000059880404e-07 -9.016393606230610e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] 6.827684565000000e+01 -2.790000010577387e-06 -7.622950848572095e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 6.827684565000000e+01 -2.790000010577387e-06 -7.622950848572095e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 6.827684641000000e+01 -2.030000004538124e-06 -5.546448099830940e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 6.827684977000000e+01 1.329999989252428e-06 3.633879752055815e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 6.827684794000000e+01 -5.000000129484761e-07 -1.366120253957585e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 6.827685054000000e+01 2.099999989013668e-06 5.737704888015486e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 6.827685001000000e+01 1.569999994899263e-06 4.289617472402357e-01 PASS