Match comparison for Benzene Multipoles [step 0] (match type 20285)

Commits > Commit 2cbd57b62c972cb2ebea8f328fb20b62d521e0ac > Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
0.000000000000000e+00 2.540000000000000e-14 3.493078274120353e-15 7.088194680695837e-15 1.373593664276292e-15 1.575853401375609e-14 PASS

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Detailed information

Reference: 0.0, precision: 0.0000000000000254
Run Value Difference Relative difference Status
spack_foss-2022a_ppc 5.397419391059593e-15 5.397419391059593e-15 2.124968264196690e-01 PASS
cmake_foss_2022a_full_serial 7.659138334358420e-15 7.659138334358420e-15 3.015408793054496e-01 PASS
cmake_foss_2022a_min_serial 7.659138334358420e-15 7.659138334358420e-15 3.015408793054496e-01 PASS
cmake_foss_2022a_min_mpi 1.713212767803238e-14 1.713212767803238e-14 6.744932156705660e-01 PASS
cmake_foss_2022a_full_mpi 3.013331882784653e-15 3.013331882784653e-15 1.186351134954588e-01 PASS
spack_intel-2022a_serial_omp -1.438494034947979e-14 -1.438494034947979e-14 -5.663362342314879e-01 PASS
spack_foss-2022a_cuda_serial 5.966166988836511e-15 5.966166988836511e-15 2.348884641274217e-01 PASS
spack_foss-2022a_cuda_mpi_omp 8.654939110270343e-15 8.654939110270343e-15 3.407456342626119e-01 PASS
spack_foss-2022a_mpi_min 3.013331882784653e-15 3.013331882784653e-15 1.186351134954588e-01 PASS
spack_foss-2022a_serial 7.659138334358420e-15 7.659138334358420e-15 3.015408793054496e-01 PASS
spack_foss-2022a_mpi 3.013331882784653e-15 3.013331882784653e-15 1.186351134954588e-01 PASS
spack_foss-2022a_serial_min 7.659138334358420e-15 7.659138334358420e-15 3.015408793054496e-01 PASS
spack_foss-2023a_mpi 3.013331882784653e-15 3.013331882784653e-15 1.186351134954588e-01 PASS
spack_foss-2023a_mpi_min 3.013331882784653e-15 3.013331882784653e-15 1.186351134954588e-01 PASS
spack_foss-2023a_serial 7.659138334358420e-15 7.659138334358420e-15 3.015408793054496e-01 PASS
spack_foss-2023a_serial_min 7.659138334358420e-15 7.659138334358420e-15 3.015408793054496e-01 PASS
spack_foss-2023a_serial_opt 7.659138334358420e-15 7.659138334358420e-15 3.015408793054496e-01 PASS
spack_foss-2023a_mpi_opt 3.013331882784653e-15 3.013331882784653e-15 1.186351134954588e-01 PASS
spack_foss-2023a_serial_debug 7.659138334358420e-15 7.659138334358420e-15 3.015408793054496e-01 PASS
spack_foss-2023a_serial_omp 9.350211227161867e-16 9.350211227161867e-16 3.681185522504672e-02 PASS
spack_foss-2023a_mpi_debug 3.013331882784653e-15 3.013331882784653e-15 1.186351134954588e-01 PASS
spack_foss-2023b_serial 7.659138334358420e-15 7.659138334358420e-15 3.015408793054496e-01 PASS
spack_foss-2023a_mpi_omp 1.174770128540850e-14 1.174770128540850e-14 4.625079246223818e-01 PASS
spack_intel-2023a_serial -3.557323540162215e-15 -3.557323540162215e-15 -1.400521078804022e-01 PASS
spack_intel-2023a_serial_omp -1.438494034947979e-14 -1.438494034947979e-14 -5.663362342314879e-01 PASS
spack_intel-2023a_impi -4.539712113817707e-15 -4.539712113817707e-15 -1.787288233786499e-01 PASS
spack_intel-2022a_impi_omp -8.678914010852810e-15 -8.678914010852810e-15 -3.416895279863311e-01 PASS