Match comparison for Multipoles [step 1] (match type 17469)

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > Input 03-td_self_consistent.02-etrs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.341800490096620e-15 5.950000000000000e-15 -2.611248402836080e-15 2.721743567732512e-15 -2.530027274109340e-15 4.244157881584144e-15 PASS

Checks for this match

  • Precision seems large and value close to zero. Should value be 0?
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Detailed information

Reference: -0.00000000000000234180049009662, precision: 0.00000000000000595
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -9.738599087306260e-16 1.367940581365994e-15 2.299059800615116e-01 PASS
spack_foss-2023a_serial_min -9.738599087306260e-16 1.367940581365994e-15 2.299059800615116e-01 PASS
spack_foss-2023a_serial_opt 1.714130607474804e-15 4.055931097571424e-15 6.816690920288108e-01 PASS
spack_foss-2022a_serial -9.738599087306260e-16 1.367940581365994e-15 2.299059800615116e-01 PASS
spack_foss-2023a_serial -9.738599087306260e-16 1.367940581365994e-15 2.299059800615116e-01 PASS
spack_foss-2023b_serial -9.738599087306260e-16 1.367940581365994e-15 2.299059800615116e-01 PASS
spack_foss-2022a_ppc 3.859297525109738e-16 2.727730242607594e-15 4.584420575811082e-01 PASS
spack_foss-2022a_cuda_serial -6.212336919300849e-15 -3.870536429204229e-15 -6.505103242360050e-01 PASS
spack_foss-2022a_mpi_min -2.653551023931808e-15 -3.117505338351884e-16 -5.239504770339300e-02 PASS
spack_foss-2023a_mpi_min -2.653551023931808e-15 -3.117505338351884e-16 -5.239504770339300e-02 PASS
spack_foss-2023a_serial_omp -8.552650775095483e-16 1.486535412587072e-15 2.498378844684154e-01 PASS
spack_foss-2023a_mpi_opt -6.774185155693484e-15 -4.432384665596864e-15 -7.449385992599772e-01 PASS
spack_foss-2023a_serial_debug -9.738599087306260e-16 1.367940581365994e-15 2.299059800615116e-01 PASS
spack_foss-2022a_mpi -2.653551023931808e-15 -3.117505338351884e-16 -5.239504770339300e-02 PASS
spack_foss-2023a_mpi -2.653551023931808e-15 -3.117505338351884e-16 -5.239504770339300e-02 PASS
spack_foss-2023a_mpi_debug -2.653551023931808e-15 -3.117505338351884e-16 -5.239504770339300e-02 PASS
spack_foss-2022a_cuda_mpi_omp -9.017747486239625e-16 1.440025741472657e-15 2.420211330206147e-01 PASS
spack_foss-2023a_mpi_omp -6.498122352704971e-15 -4.156321862608351e-15 -6.985414895140086e-01 PASS
cmake_foss_2022a_min_serial 1.714130607474804e-15 4.055931097571424e-15 6.816690920288108e-01 PASS
cmake_foss_2022a_full_serial 1.714130607474804e-15 4.055931097571424e-15 6.816690920288108e-01 PASS
cmake_foss_2022a_min_mpi -6.774185155693484e-15 -4.432384665596864e-15 -7.449385992599772e-01 PASS
cmake_foss_2022a_full_mpi -6.774185155693484e-15 -4.432384665596864e-15 -7.449385992599772e-01 PASS
spack_intel-2023a_serial -1.272563353521897e-15 1.069237136574723e-15 1.797037204327266e-01 PASS
spack_intel-2022a_serial_omp -4.033894312333031e-15 -1.692093822236411e-15 -2.843855163422539e-01 PASS
spack_intel-2022a_impi_omp -6.157109978116582e-15 -3.815309488019962e-15 -6.412284853815061e-01 PASS
spack_intel-2023a_impi -4.461007247196641e-15 -2.119206757100021e-15 -3.561692028739531e-01 PASS
spack_foss-2023a_valgrind -6.206484423078827e-15 -3.864683932982207e-15 -6.495267114255810e-01 PASS