Match comparison for Benzene Energy [step 0] (match type 23474)

Commits > Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 > Input 12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.744578235744385e+01 9.000000000000000e-08 -3.744578235744471e+01 9.738002741610624e-14 -3.744578235744478e+01 1.776356839400250e-13 PASS
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Detailed information

Reference: -37.445782357443846, precision: 0.00000009
Run Value Difference Relative difference Status
foss-2022a_ppc -3.744578235744475e+01 -9.023892744153272e-13 -1.002654749350364e-05 PASS
cmake_foss_2022a_full_serial -3.744578235744460e+01 -7.531752999057062e-13 -8.368614443396736e-06 PASS
foss-2022a_opt -3.744578235744470e+01 -8.526512829121202e-13 -9.473903143468002e-06 PASS
intel-2022a -3.744578235744461e+01 -7.673861546209082e-13 -8.526512829121202e-06 PASS
cmake_foss_2022a_full_mpi -3.744578235744484e+01 -9.947598300641403e-13 -1.105288700071267e-05 PASS
cmake_foss_2022a_min_serial -3.744578235744460e+01 -7.531752999057062e-13 -8.368614443396736e-06 PASS
foss-2022a_omp -3.744578235744484e+01 -9.947598300641403e-13 -1.105288700071267e-05 PASS
cmake_foss_2022a_min_mpi -3.744578235744475e+01 -9.023892744153272e-13 -1.002654749350364e-05 PASS
eb_fosscuda-2022a -3.744578235744464e+01 -7.958078640513122e-13 -8.842309600570135e-06 PASS
intel-2022a_impi -3.744578235744461e+01 -7.673861546209082e-13 -8.526512829121202e-06 PASS
eb_foss-2022a -3.744578235744470e+01 -8.526512829121202e-13 -9.473903143468002e-06 PASS
spack_foss-2022a_cuda_mpi_omp -3.744578235744473e+01 -8.810729923425242e-13 -9.789699914916937e-06 PASS
eb_foss-2022a_debug -3.744578235744470e+01 -8.526512829121202e-13 -9.473903143468002e-06 PASS
eb_foss-2022b_libxc6 -3.744578235744471e+01 -8.597567102697212e-13 -9.552852336330236e-06 PASS
eb_foss-2022a_mpi -3.744578235744478e+01 -9.379164112033322e-13 -1.042129345781480e-05 PASS
foss-2022a_mpi_omp -3.744578235744477e+01 -9.237055564881302e-13 -1.026339507209034e-05 PASS
eb_foss-2022b_libxc6_mpi -3.744578235744482e+01 -9.734435479913373e-13 -1.081603942212597e-05 PASS
intel-2022b -3.744578235744461e+01 -7.673861546209082e-13 -8.526512829121202e-06 PASS
eb_foss-2022a_mpi_debug -3.744578235744478e+01 -9.379164112033322e-13 -1.042129345781480e-05 PASS
spack_foss-2022a_serial -3.744578235744460e+01 -7.531752999057062e-13 -8.368614443396736e-06 PASS
intel-2022a_omp -3.744578235744495e+01 -1.108446667785756e-12 -1.231607408650840e-05 PASS
spack_foss-2022a_mpi -3.744578235744484e+01 -9.947598300641403e-13 -1.105288700071267e-05 PASS
spack_foss-2022a_serial_debug -3.744578235744460e+01 -7.531752999057062e-13 -8.368614443396736e-06 PASS
spack_foss-2022a_serial_min -3.744578235744460e+01 -7.531752999057062e-13 -8.368614443396736e-06 PASS
intel-2022b_impi -3.744578235744461e+01 -7.673861546209082e-13 -8.526512829121202e-06 PASS
spack_foss-2022a_serial_omp -3.744578235744481e+01 -9.592326932761353e-13 -1.065814103640150e-05 PASS
spack_foss-2022a_serial_opt -3.744578235744460e+01 -7.531752999057062e-13 -8.368614443396736e-06 PASS
spack_foss-2022a_mpi_omp -3.744578235744480e+01 -9.521272659185342e-13 -1.057919184353927e-05 PASS
intel-2022a_omp_impi -3.744578235744472e+01 -8.739675649849232e-13 -9.710750722054703e-06 PASS