Match comparison for Hartree energy (match type 12967)

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Input 03-sodium_chain.03-ground_state_disp.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.551473590000000e+00 2.280000000000000e-07 -4.551473582592592e+00 1.964360112102131e-08 -4.551473600000000e+00 3.000000026176508e-08 PASS
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Detailed information

Reference: -4.55147359, precision: 0.000000228
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
cmake_foss_2022a_full_serial -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
spack_foss-2022a_serial -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
spack_foss-2022a_ppc -4.551473610000000e+00 -2.000000076662900e-08 -8.771930160802192e-02 PASS
spack_foss-2022a_mpi_min -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -4.551473580000000e+00 9.999999939225290e-09 4.385964885625127e-02 PASS
cmake_foss_2022a_full_mpi -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
spack_foss-2022a_mpi -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
cmake_foss_2022a_min_serial -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
spack_foss-2023a_mpi -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
cmake_foss_2022a_min_mpi -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
GCI_intel_autotools: [intel2023a-serial] -4.551473630000000e+00 -4.000000064507958e-08 -1.754385993205245e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -4.551473590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -4.551473610000000e+00 -2.000000076662900e-08 -8.771930160802192e-02 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -4.551473610000000e+00 -2.000000076662900e-08 -8.771930160802192e-02 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -4.551473630000000e+00 -4.000000064507958e-08 -1.754385993205245e-01 PASS
spack_foss-2023a_mpi_debug -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -4.551473610000000e+00 -2.000000076662900e-08 -8.771930160802192e-02 PASS
GCI_foss_min_autotools: [foss2022a-serial] -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
GCI_foss_min_autotools: [foss2023a-serial] -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
spack_foss-2023a_mpi_min -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
GCI_foss_min_autotools: [foss2023b-serial] -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
GCI_foss_autotools: [foss2022a-serial] -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
GCI_foss_autotools: [foss2023a-serial] -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
GCI_foss_autotools: [foss2023b-serial] -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
spack_foss-2023a_serial -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -4.551473590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
spack_foss-2023a_mpi_opt -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
spack_foss-2023a_serial_debug -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
spack_foss-2023a_serial_min -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
spack_foss-2023a_serial_opt -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
spack_foss-2023a_mpi_omp -4.551473590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -4.551473610000000e+00 -2.000000076662900e-08 -8.771930160802192e-02 PASS
spack_foss-2023b_serial -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
spack_foss-2023a_serial_omp -4.551473590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial -4.551473630000000e+00 -4.000000064507958e-08 -1.754385993205245e-01 PASS
spack_intel-2022a_serial_omp -4.551473610000000e+00 -2.000000076662900e-08 -8.771930160802192e-02 PASS
spack_intel-2023a_serial_omp -4.551473610000000e+00 -2.000000076662900e-08 -8.771930160802192e-02 PASS
spack_intel-2023a_impi -4.551473630000000e+00 -4.000000064507958e-08 -1.754385993205245e-01 PASS
spack_intel-2022a_impi_omp -4.551473610000000e+00 -2.000000076662900e-08 -8.771930160802192e-02 PASS
spack_foss-2022a_cuda_mpi_omp -4.551473590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_serial -4.551473580000000e+00 9.999999939225290e-09 4.385964885625127e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -4.551473570000000e+00 1.999999987845058e-08 8.771929771250254e-02 PASS