Match comparison for Benzene Energy [step 0] (match type 25752)

Commits > Commit e20977157e4d251b72bb22e6c23e92a645445263 > Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.744578235744385e+01 3.740000000000000e-12 -3.744578235744471e+01 9.543110469200340e-14 -3.744578235744478e+01 1.776356839400250e-13 PASS

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Detailed information

Reference: -37.445782357443846, precision: 0.00000000000374
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -3.744578235744460e+01 -7.531752999057062e-13 -2.013837700282637e-01 PASS
foss-2022a_ppc -3.744578235744475e+01 -9.023892744153272e-13 -2.412805546565046e-01 PASS
spack_foss-2022a_serial_min -3.744578235744460e+01 -7.531752999057062e-13 -2.013837700282637e-01 PASS
spack_foss-2022a_serial -3.744578235744460e+01 -7.531752999057062e-13 -2.013837700282637e-01 PASS
foss-2022a_opt -3.744578235744470e+01 -8.526512829121202e-13 -2.279816264470910e-01 PASS
intel-2022b -3.744578235744461e+01 -7.673861546209082e-13 -2.051834638023819e-01 PASS
cmake_foss_2022a_min_mpi -3.744578235744475e+01 -9.023892744153272e-13 -2.412805546565046e-01 PASS
intel-2022a -3.744578235744461e+01 -7.673861546209082e-13 -2.051834638023819e-01 PASS
cmake_foss_2022a_full_mpi -3.744578235744484e+01 -9.947598300641403e-13 -2.659785641882728e-01 PASS
spack_foss-2022a_serial_omp -3.744578235744481e+01 -9.592326932761353e-13 -2.564793297529773e-01 PASS
spack_foss-2022a_serial_debug -3.744578235744460e+01 -7.531752999057062e-13 -2.013837700282637e-01 PASS
foss-2022a_omp -3.744578235744484e+01 -9.947598300641403e-13 -2.659785641882728e-01 PASS
intel-2022a_omp -3.744578235744495e+01 -1.108446667785756e-12 -2.963761143812182e-01 PASS
intel-2022b_impi -3.744578235744461e+01 -7.673861546209082e-13 -2.051834638023819e-01 PASS
intel-2022a_impi -3.744578235744461e+01 -7.673861546209082e-13 -2.051834638023819e-01 PASS
cmake_foss_2022a_min_serial -3.744578235744460e+01 -7.531752999057062e-13 -2.013837700282637e-01 PASS
eb_fosscuda-2022a_mpi_omp -3.744578235744471e+01 -8.668621376273222e-13 -2.317813202212092e-01 PASS
eb_fosscuda-2022a -3.744578235744464e+01 -7.958078640513122e-13 -2.127828513506183e-01 PASS
foss-2022a_mpi_omp -3.744578235744477e+01 -9.237055564881302e-13 -2.469800953176819e-01 PASS
eb_foss-2022a -3.744578235744470e+01 -8.526512829121202e-13 -2.279816264470910e-01 PASS
eb_foss-2022b_libxc6 -3.744578235744471e+01 -8.597567102697212e-13 -2.298814733341501e-01 PASS
eb_foss-2022a_debug -3.744578235744470e+01 -8.526512829121202e-13 -2.279816264470910e-01 PASS
intel-2022a_omp_impi -3.744578235744472e+01 -8.739675649849232e-13 -2.336811671082683e-01 PASS
eb_foss-2022a_mpi -3.744578235744478e+01 -9.379164112033322e-13 -2.507797890918001e-01 PASS
eb_foss-2022b_libxc6_mpi -3.744578235744482e+01 -9.734435479913373e-13 -2.602790235270955e-01 PASS
eb_foss-2022a_mpi_debug -3.744578235744478e+01 -9.379164112033322e-13 -2.507797890918001e-01 PASS