Match comparison for gga_xc_b97_d Correlation (match type 12392)

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Input 03-xc.gga_xc_b97_d.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.405951950000000e-01 4.150000000000000e-06 -3.405985485185185e-01 1.732181676609351e-06 -3.405951900000000e-01 3.790000000003513e-06 PASS

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Detailed information

Reference: -0.340595195, precision: 0.00000415
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
spack_foss-2022a_serial_min -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
spack_foss-2022a_serial -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
spack_foss-2022a_ppc -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
spack_foss-2022a_mpi_min -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -3.405914000000000e-01 3.795000000028637e-06 9.144578313322016e-01 PASS
cmake_foss_2022a_full_mpi -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
spack_foss-2022a_mpi -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
cmake_foss_2022a_min_serial -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
spack_foss-2023a_mpi -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
cmake_foss_2022a_min_mpi -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
spack_foss-2023a_mpi_debug -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
spack_foss-2023a_mpi_min -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
GCI_foss_autotools: [foss2023a-serial] -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
spack_foss-2023a_serial -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
spack_foss-2023a_mpi_opt -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
spack_foss-2023a_serial_debug -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
spack_foss-2023a_serial_min -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
spack_foss-2023a_serial_opt -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
spack_foss-2023a_mpi_omp -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
spack_foss-2023b_serial -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
spack_foss-2023a_serial_omp -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
spack_intel-2023a_serial -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
spack_intel-2022a_serial_omp -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
spack_intel-2023a_serial_omp -3.405989600000000e-01 -3.764999999988916e-06 -9.072289156599798e-01 PASS
spack_intel-2023a_impi -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
spack_intel-2022a_impi_omp -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
spack_foss-2022a_cuda_mpi_omp -3.405914200000000e-01 3.775000000039164e-06 9.096385542263045e-01 PASS
spack_foss-2022a_cuda_serial -3.405914000000000e-01 3.795000000028637e-06 9.144578313322016e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -3.405989800000000e-01 -3.784999999978389e-06 -9.120481927658769e-01 PASS