Match comparison for gga_xc_b97_d Int[n*v_xc] (match type 12393)

Commits > Commit a4341ac9f169107ec4cef5019cc6269df7c401ac > Input 03-xc.gga_xc_b97_d.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.315265750000000e-01 5.350000000000000e-06 -4.315307125925926e-01 2.547775489542222e-06 -4.315265700000000e-01 4.879999999984896e-06 PASS

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Detailed information

Reference: -0.431526575, precision: 0.00000535
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -4.315314200000000e-01 -4.844999999975563e-06 -9.056074766309464e-01 PASS
spack_foss-2023a_serial_min -4.315314200000000e-01 -4.844999999975563e-06 -9.056074766309464e-01 PASS
spack_foss-2023a_serial -4.315314200000000e-01 -4.844999999975563e-06 -9.056074766309464e-01 PASS
spack_foss-2023a_serial_opt -4.315314200000000e-01 -4.844999999975563e-06 -9.056074766309464e-01 PASS
spack_foss-2022a_serial -4.315314200000000e-01 -4.844999999975563e-06 -9.056074766309464e-01 PASS
spack_foss-2023b_serial -4.315314200000000e-01 -4.844999999975563e-06 -9.056074766309464e-01 PASS
spack_foss-2022a_ppc -4.315314200000000e-01 -4.844999999975563e-06 -9.056074766309464e-01 PASS
spack_foss-2022a_mpi_min -4.315314500000000e-01 -4.874999999959773e-06 -9.112149532635090e-01 PASS
spack_foss-2023a_mpi_min -4.315314500000000e-01 -4.874999999959773e-06 -9.112149532635090e-01 PASS
spack_foss-2023a_serial_debug -4.315314200000000e-01 -4.844999999975563e-06 -9.056074766309464e-01 PASS
spack_foss-2023a_serial_omp -4.315314200000000e-01 -4.844999999975563e-06 -9.056074766309464e-01 PASS
spack_foss-2022a_cuda_serial -4.315216900000000e-01 4.885000000010020e-06 9.130841121514057e-01 PASS
spack_foss-2023a_mpi_opt -4.315314500000000e-01 -4.874999999959773e-06 -9.112149532635090e-01 PASS
spack_foss-2022a_mpi -4.315314500000000e-01 -4.874999999959773e-06 -9.112149532635090e-01 PASS
spack_foss-2023a_mpi -4.315314500000000e-01 -4.874999999959773e-06 -9.112149532635090e-01 PASS
cmake_foss_2022a_full_mpi -4.315314500000000e-01 -4.874999999959773e-06 -9.112149532635090e-01 PASS
spack_foss-2022a_cuda_mpi_omp -4.315217200000000e-01 4.855000000025811e-06 9.074766355188433e-01 PASS
spack_foss-2023a_mpi_debug -4.315314500000000e-01 -4.874999999959773e-06 -9.112149532635090e-01 PASS
spack_foss-2023a_mpi_omp -4.315314500000000e-01 -4.874999999959773e-06 -9.112149532635090e-01 PASS
cmake_foss_2022a_min_serial -4.315314200000000e-01 -4.844999999975563e-06 -9.056074766309464e-01 PASS
cmake_foss_2022a_full_serial -4.315314200000000e-01 -4.844999999975563e-06 -9.056074766309464e-01 PASS
cmake_foss_2022a_min_mpi -4.315314500000000e-01 -4.874999999959773e-06 -9.112149532635090e-01 PASS
spack_intel-2023a_serial -4.315314200000000e-01 -4.844999999975563e-06 -9.056074766309464e-01 PASS
spack_intel-2022a_serial_omp -4.315314200000000e-01 -4.844999999975563e-06 -9.056074766309464e-01 PASS
spack_intel-2023a_serial_omp -4.315314200000000e-01 -4.844999999975563e-06 -9.056074766309464e-01 PASS
spack_intel-2023a_impi -4.315314500000000e-01 -4.874999999959773e-06 -9.112149532635090e-01 PASS
spack_intel-2022a_impi_omp -4.315314500000000e-01 -4.874999999959773e-06 -9.112149532635090e-01 PASS