Match comparison for Benzene Multipoles [step 20] (match type 25755)

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.094497166579790e-02 1.000000000000000e-12 -2.094497166580938e-02 6.655288229361569e-15 -2.094497166581280e-02 1.325849152689074e-14 PASS

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Detailed information

Reference: -0.0209449716657979, precision: 0.000000000001
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -2.094497166580444e-02 -6.543376951384516e-15 -6.543376951384516e-03 PASS
spack_foss-2022a_serial_min -2.094497166580444e-02 -6.543376951384516e-15 -6.543376951384516e-03 PASS
spack_foss-2023a_serial_min -2.094497166580444e-02 -6.543376951384516e-15 -6.543376951384516e-03 PASS
spack_foss-2023a_serial -2.094497166580444e-02 -6.543376951384516e-15 -6.543376951384516e-03 PASS
spack_foss-2022a_serial -2.094497166580444e-02 -6.543376951384516e-15 -6.543376951384516e-03 PASS
spack_foss-2022a_ppc -2.094497166580787e-02 -9.967721092962734e-15 -9.967721092962734e-03 PASS
cmake_foss_2022a_min_serial -2.094497166580444e-02 -6.543376951384516e-15 -6.543376951384516e-03 PASS
cmake_foss_2022a_min_mpi -2.094497166580925e-02 -1.135203042679223e-14 -1.135203042679223e-02 PASS
spack_foss-2023a_mpi_min -2.094497166580951e-02 -1.161223894818875e-14 -1.161223894818875e-02 PASS
spack_foss-2022a_mpi_min -2.094497166580951e-02 -1.161223894818875e-14 -1.161223894818875e-02 PASS
cmake_foss_2022a_full_mpi -2.094497166580951e-02 -1.161223894818875e-14 -1.161223894818875e-02 PASS
spack_foss-2023a_serial_debug -2.094497166580444e-02 -6.543376951384516e-15 -6.543376951384516e-03 PASS
spack_foss-2023a_mpi_opt -2.094497166580951e-02 -1.161223894818875e-14 -1.161223894818875e-02 PASS
spack_foss-2022a_mpi -2.094497166580951e-02 -1.161223894818875e-14 -1.161223894818875e-02 PASS
spack_foss-2023a_mpi -2.094497166580951e-02 -1.161223894818875e-14 -1.161223894818875e-02 PASS
spack_foss-2022a_cuda_serial -2.094497166580665e-02 -8.753414659778969e-15 -8.753414659778969e-03 PASS
spack_foss-2022a_cuda_mpi_omp -2.094497166580343e-02 -5.526828994462107e-15 -5.526828994462107e-03 PASS
spack_foss-2023a_mpi_debug -2.094497166580951e-02 -1.161223894818875e-14 -1.161223894818875e-02 PASS
spack_foss-2023a_mpi_omp -2.094497166579954e-02 -1.641048408274060e-15 -1.641048408274060e-03 PASS
spack_foss-2023a_serial_opt -2.094497166580444e-02 -6.543376951384516e-15 -6.543376951384516e-03 PASS
spack_foss-2023b_serial -2.094497166580444e-02 -6.543376951384516e-15 -6.543376951384516e-03 PASS
spack_foss-2023a_serial_omp -2.094497166581158e-02 -1.367655988460115e-14 -1.367655988460115e-02 PASS
spack_intel-2023a_serial -2.094497166581735e-02 -1.944971961265196e-14 -1.944971961265196e-02 PASS
spack_intel-2022a_serial_omp -2.094497166582606e-02 -2.815803146205553e-14 -2.815803146205553e-02 PASS
spack_intel-2023a_serial_omp -2.094497166582606e-02 -2.815803146205553e-14 -2.815803146205553e-02 PASS
spack_intel-2023a_impi -2.094497166581759e-02 -1.969258089928871e-14 -1.969258089928871e-02 PASS
spack_intel-2022a_impi_omp -2.094497166582131e-02 -2.341182803178299e-14 -2.341182803178299e-02 PASS