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

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > 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 -1.948508942086272e-15 2.725084509766843e-15 -2.417898035110035e-15 4.356287120583450e-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
eb_foss-2022a_ppc -1.858115041225659e-15 4.836854488709612e-16 8.129167207915314e-02 PASS
cmake_foss_2022a_full_serial 1.714130607474804e-15 4.055931097571424e-15 6.816690920288108e-01 PASS
cmake_foss_2022a_min_serial 1.714130607474804e-15 4.055931097571424e-15 6.816690920288108e-01 PASS
cmake_foss_2022a_full_mpi -6.774185155693484e-15 -4.432384665596864e-15 -7.449385992599772e-01 PASS
eb_fosscuda-2022a -3.156373356042949e-15 -8.145728659463290e-16 -1.369030026800553e-01 PASS
cmake_foss_2022a_min_mpi -6.774185155693484e-15 -4.432384665596864e-15 -7.449385992599772e-01 PASS
eb_foss-2022a_debug -6.621990065666661e-15 -4.280189575570041e-15 -7.193595925327800e-01 PASS
eb_foss-2022b_libxc6 -5.458936525471608e-16 1.795906837549459e-15 3.018330819410855e-01 PASS
eb_intel-2022a 1.938389085473415e-15 4.280189575570036e-15 7.193595925327790e-01 PASS
eb_foss-2022b_libxc6_mpi -3.387679053295025e-15 -1.045878563198406e-15 -1.757779097812446e-01 PASS
intel-2022b 1.938389085473415e-15 4.280189575570036e-15 7.193595925327790e-01 PASS
eb_intel-2022a_omp -5.835476633159198e-15 -3.493676143062578e-15 -5.871724610189206e-01 PASS
eb_foss-2022a_mpi_debug -4.405059995970292e-15 -2.063259505873672e-15 -3.467663035081801e-01 PASS
eb_intel-2022a_impi -5.205016715488682e-16 1.821298818547752e-15 3.061006417727314e-01 PASS
spack_foss-2022a_serial -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-2022a_cuda_mpi_omp -9.017747486239625e-16 1.440025741472657e-15 2.420211330206147e-01 PASS
spack_foss-2022a_serial_min -9.738599087306260e-16 1.367940581365994e-15 2.299059800615116e-01 PASS
intel-2022b_impi -5.205016715488682e-16 1.821298818547752e-15 3.061006417727314e-01 PASS
spack_foss-2022a_serial_debug -9.738599087306260e-16 1.367940581365994e-15 2.299059800615116e-01 PASS
spack_foss-2022a_serial_omp -3.431212345500478e-15 -1.089411855403858e-15 -1.830944294796401e-01 PASS
spack_foss-2022a_serial_opt 1.714130607474804e-15 4.055931097571424e-15 6.816690920288108e-01 PASS
spack_foss-2022a_mpi_omp -4.494037954272390e-15 -2.152237464175770e-15 -3.617205822144151e-01 PASS
eb_intel-2022a_omp_impi -3.558364540523496e-16 1.985964036044270e-15 3.337754682427345e-01 PASS
eb_foss-2022a_valgrind -2.573939840563519e-15 -2.321393504668991e-16 -3.901501688519313e-02 PASS