Match comparison for Benzene Energy [step 20] (match type 20284)

Commits > Commit abc749737cc12a5b79d975879ed425be2e62065f > Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.744565212577614e+01 5.100000000000000e-08 -3.744565212916275e+01 1.197818990685014e-08 -3.744565214864340e+01 2.286869715817375e-08 PASS

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Detailed information

Reference: -37.445652125776135, precision: 0.000000051
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -3.744565212577480e+01 1.335820343228988e-12 2.619255574958801e-05 PASS
spack_foss-2022a_serial_opt -3.744565212577480e+01 1.335820343228988e-12 2.619255574958801e-05 PASS
spack_foss-2022a_serial_min -3.744565212577480e+01 1.335820343228988e-12 2.619255574958801e-05 PASS
spack_foss-2022a_serial -3.744565212577480e+01 1.335820343228988e-12 2.619255574958801e-05 PASS
foss-2022a_opt -3.744565212577479e+01 1.350031197944190e-12 2.647119995969001e-05 PASS
intel-2022b -3.744565212577487e+01 1.264766069652978e-12 2.479933469907801e-05 PASS
intel-2022a -3.744565212577487e+01 1.264766069652978e-12 2.479933469907801e-05 PASS
cmake_foss_2022a_full_mpi -3.744565212577479e+01 1.350031197944190e-12 2.647119995969001e-05 PASS
spack_foss-2022a_serial_omp -3.744565212577476e+01 1.371347480016993e-12 2.688916627484301e-05 PASS
eb_fosscuda-2022a -3.744565217151209e+01 -4.573595902002126e-08 -8.967835101964952e-01 PASS
foss-2022a_omp -3.744565212577470e+01 1.435296326235402e-12 2.814306522030201e-05 PASS
foss-2022a_ppc -3.744565212577486e+01 1.278976924368180e-12 2.507797890918001e-05 PASS
spack_foss-2022a_serial_debug -3.744565212577480e+01 1.335820343228988e-12 2.619255574958801e-05 PASS
intel-2022a_omp -3.744565212577498e+01 1.151079231931362e-12 2.257018101826201e-05 PASS
intel-2022b_impi -3.744565212577483e+01 1.307398633798584e-12 2.563526732938401e-05 PASS
intel-2022a_impi -3.744565212577483e+01 1.307398633798584e-12 2.563526732938401e-05 PASS
cmake_foss_2022a_min_serial -3.744565212577480e+01 1.335820343228988e-12 2.619255574958801e-05 PASS
eb_fosscuda-2022a_mpi_omp -3.744565217151201e+01 -4.573587375489296e-08 -8.967818383312346e-01 PASS
foss-2022a_mpi_omp -3.744565212577472e+01 1.413980044162599e-12 2.772509890514901e-05 PASS
cmake_foss_2022a_min_mpi -3.744565212577480e+01 1.335820343228988e-12 2.619255574958801e-05 PASS
eb_foss-2022a -3.744565212577479e+01 1.350031197944190e-12 2.647119995969001e-05 PASS
eb_foss-2022b_libxc6 -3.744565212577479e+01 1.350031197944190e-12 2.647119995969001e-05 PASS
intel-2022a_omp_impi -3.744565212577491e+01 1.222133505507372e-12 2.396340206877200e-05 PASS
eb_foss-2022a_mpi -3.744565212577481e+01 1.328714915871387e-12 2.605323364453701e-05 PASS
eb_foss-2022a_debug -3.744565212577479e+01 1.350031197944190e-12 2.647119995969001e-05 PASS
eb_foss-2022b_libxc6_mpi -3.744565212577481e+01 1.321609488513786e-12 2.591391153948601e-05 PASS
eb_foss-2022a_mpi_debug -3.744565212577481e+01 1.328714915871387e-12 2.605323364453701e-05 PASS