Match comparison for gga_x_dk87_r1 Int[n*v_xc] (match type 12301)

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Input 03-xc.gga_x_dk87_r1.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.061443300000000e-01 4.940000000000000e-06 -4.061481433333334e-01 2.352802898990770e-06 -4.061443150000000e-01 4.505000000015746e-06 PASS

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Detailed information

Reference: -0.40614433, precision: 0.00000494
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -4.061488000000000e-01 -4.469999999978658e-06 -9.048582995908214e-01 PASS
spack_foss-2022a_serial_min -4.061488000000000e-01 -4.469999999978658e-06 -9.048582995908214e-01 PASS
spack_foss-2023a_serial_min -4.061488000000000e-01 -4.469999999978658e-06 -9.048582995908214e-01 PASS
spack_foss-2023a_serial -4.061488000000000e-01 -4.469999999978658e-06 -9.048582995908214e-01 PASS
spack_foss-2022a_serial -4.061488000000000e-01 -4.469999999978658e-06 -9.048582995908214e-01 PASS
spack_foss-2022a_ppc -4.061488000000000e-01 -4.469999999978658e-06 -9.048582995908214e-01 PASS
cmake_foss_2022a_min_serial -4.061488000000000e-01 -4.469999999978658e-06 -9.048582995908214e-01 PASS
cmake_foss_2022a_min_mpi -4.061488200000000e-01 -4.490000000023642e-06 -9.089068825958788e-01 PASS
spack_foss-2023a_mpi_min -4.061488200000000e-01 -4.490000000023642e-06 -9.089068825958788e-01 PASS
spack_foss-2022a_mpi_min -4.061488200000000e-01 -4.490000000023642e-06 -9.089068825958788e-01 PASS
cmake_foss_2022a_full_mpi -4.061488200000000e-01 -4.490000000023642e-06 -9.089068825958788e-01 PASS
spack_foss-2023a_serial_debug -4.061488000000000e-01 -4.469999999978658e-06 -9.048582995908214e-01 PASS
spack_foss-2023a_mpi_opt -4.061488200000000e-01 -4.490000000023642e-06 -9.089068825958788e-01 PASS
spack_foss-2022a_mpi -4.061488200000000e-01 -4.490000000023642e-06 -9.089068825958788e-01 PASS
spack_foss-2023a_mpi -4.061488200000000e-01 -4.490000000023642e-06 -9.089068825958788e-01 PASS
spack_foss-2022a_cuda_serial -4.061398100000000e-01 4.520000000007851e-06 9.149797570866095e-01 PASS
spack_foss-2022a_cuda_mpi_omp -4.061398400000000e-01 4.490000000023642e-06 9.089068825958788e-01 PASS
spack_foss-2023a_mpi_debug -4.061488200000000e-01 -4.490000000023642e-06 -9.089068825958788e-01 PASS
spack_foss-2023a_mpi_omp -4.061488200000000e-01 -4.490000000023642e-06 -9.089068825958788e-01 PASS
spack_foss-2023a_serial_opt -4.061488000000000e-01 -4.469999999978658e-06 -9.048582995908214e-01 PASS
spack_foss-2023b_serial -4.061488000000000e-01 -4.469999999978658e-06 -9.048582995908214e-01 PASS
spack_foss-2023a_serial_omp -4.061488000000000e-01 -4.469999999978658e-06 -9.048582995908214e-01 PASS
spack_intel-2023a_serial -4.061488000000000e-01 -4.469999999978658e-06 -9.048582995908214e-01 PASS
spack_intel-2022a_serial_omp -4.061488000000000e-01 -4.469999999978658e-06 -9.048582995908214e-01 PASS
spack_intel-2023a_serial_omp -4.061488000000000e-01 -4.469999999978658e-06 -9.048582995908214e-01 PASS
spack_intel-2023a_impi -4.061488200000000e-01 -4.490000000023642e-06 -9.089068825958788e-01 PASS
spack_intel-2022a_impi_omp -4.061488200000000e-01 -4.490000000023642e-06 -9.089068825958788e-01 PASS