Match comparison for Hartree energy (match type 12947)

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Input 03-sodium_chain.01-ground_state.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.551474860000000e+00 2.280000000000000e-07 -4.551474952592593e+00 3.238570705220175e-08 -4.551474910000000e+00 7.000000001866624e-08 PASS

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Detailed information

Reference: -4.55147486, precision: 0.000000228
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS
cmake_foss_2022a_full_serial -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS
spack_foss-2022a_serial -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS
spack_foss-2022a_ppc -4.551474950000000e+00 -9.000000034120603e-08 -3.947368436017809e-01 PASS
spack_foss-2023a_mpi_min -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS
cmake_foss_2022a_min_serial -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS
spack_foss-2022a_mpi_min -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS
spack_foss-2023a_mpi -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS
cmake_foss_2022a_full_mpi -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS
spack_foss-2022a_mpi -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS
cmake_foss_2022a_min_mpi -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS
spack_foss-2022a_cuda_mpi_omp -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS
spack_foss-2023a_mpi_debug -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS
spack_foss-2023a_serial -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS
spack_foss-2023a_mpi_opt -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS
spack_foss-2022a_cuda_serial -4.551474970000000e+00 -1.100000002196566e-07 -4.824561413142834e-01 PASS
spack_foss-2023a_serial_debug -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS
spack_foss-2023a_serial_min -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS
spack_foss-2023a_serial_opt -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS
spack_foss-2023a_mpi_omp -4.551474980000000e+00 -1.200000001588819e-07 -5.263157901705346e-01 PASS
spack_foss-2023b_serial -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS
spack_foss-2023a_serial_omp -4.551474980000000e+00 -1.200000001588819e-07 -5.263157901705346e-01 PASS
spack_intel-2023a_serial -4.551474840000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
spack_intel-2022a_serial_omp -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS
spack_intel-2023a_serial_omp -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS
spack_intel-2023a_impi -4.551474840000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
spack_intel-2022a_impi_omp -4.551474960000000e+00 -1.000000002804313e-07 -4.385964924580321e-01 PASS