Match comparison for Benzene Energy [step 0] (match type 20283)

Commits > Commit 57f8ca8d342504024fed98c8f4356f69f5870627 > Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.744578880864112e+01 3.740000000000000e-13 -3.744578880864107e+01 7.995842358205418e-14 -3.744578880864113e+01 1.385558334732195e-13 PASS

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Detailed information

Reference: -37.44578880864112, precision: 0.000000000000374
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -3.744578880864098e+01 1.350031197944190e-13 3.609709085412273e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -3.744578880864098e+01 1.350031197944190e-13 3.609709085412273e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -3.744578880864101e+01 1.065814103640150e-13 2.849770330588637e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -3.744578880864103e+01 9.237055564881302e-14 2.469800953176819e-01 PASS
foss-serial-min: [foss2022a-serial] -3.744578880864103e+01 9.237055564881302e-14 2.469800953176819e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -3.744578880864103e+01 9.237055564881302e-14 2.469800953176819e-01 PASS
foss-serial-min: [foss2023a-serial] -3.744578880864103e+01 9.237055564881302e-14 2.469800953176819e-01 PASS
intel-serial: [intel2023a-serial] -3.744578880864124e+01 -1.207922650792170e-13 -3.229739708000455e-01 PASS
foss-serial-full: [foss2023a-serial] -3.744578880864103e+01 9.237055564881302e-14 2.469800953176819e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.744578880864103e+01 9.237055564881302e-14 2.469800953176819e-01 PASS
foss-serial-min: [foss2023b-serial] -3.744578880864103e+01 9.237055564881302e-14 2.469800953176819e-01 PASS
foss-opt-full: [foss2023a-serial] -3.744578880864103e+01 9.237055564881302e-14 2.469800953176819e-01 PASS
foss-serial-full: [foss2023b-serial] -3.744578880864103e+01 9.237055564881302e-14 2.469800953176819e-01 PASS
foss-ppc: [foss2022a-serial] -3.744578880864113e+01 -1.421085471520200e-14 -3.799693774118183e-02 PASS
foss-serial-debug: [foss2023a-serial] -3.744578880864103e+01 9.237055564881302e-14 2.469800953176819e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.744578880864103e+01 9.237055564881302e-14 2.469800953176819e-01 PASS
intel-omp: [intel2023a-serial] -3.744578880864126e+01 -1.421085471520200e-13 -3.799693774118182e-01 PASS
intel-omp: [intel2022a-serial] -3.744578880864126e+01 -1.421085471520200e-13 -3.799693774118182e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.744578880864103e+01 9.237055564881302e-14 2.469800953176819e-01 PASS
foss-omp-full: [foss2023a-serial] -3.744578880864117e+01 -4.973799150320701e-14 -1.329892820941364e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -3.744578880864103e+01 9.237055564881302e-14 2.469800953176819e-01 PASS
foss-mpi-full: [foss2023a-mpi] -3.744578880864103e+01 9.237055564881302e-14 2.469800953176819e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.744578880864101e+01 1.136868377216160e-13 3.039755019294546e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -3.744578880864104e+01 7.815970093361102e-14 2.089831575765000e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.744578880864101e+01 1.136868377216160e-13 3.039755019294546e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -3.744578880864103e+01 9.237055564881302e-14 2.469800953176819e-01 PASS
foss-mpi-min: [foss2022a-mpi] -3.744578880864101e+01 1.136868377216160e-13 3.039755019294546e-01 PASS
foss-mpi-min: [foss2023a-mpi] -3.744578880864101e+01 1.136868377216160e-13 3.039755019294546e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -3.744578880864118e+01 -6.394884621840902e-14 -1.709862198353182e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] -3.744578880864107e+01 4.973799150320701e-14 1.329892820941364e-01 PASS