Match comparison for Benzene Energy [step 0] (match type 20283)
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
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 | 8.926966374162424e-14 | -3.744578880864113e+01 | 1.385558334732195e-13 | PASS |
Checks for this match
-
Intel® builders have different values.
Loading plot...
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: [foss2023a-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 |
| intel-serial: [intel2023a-serial] | -3.744578880864124e+01 | -1.207922650792170e-13 | -3.229739708000455e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -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-serial-full: [foss2023b-serial] | -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: [foss2023a-serial] | -3.744578880864103e+01 | 9.237055564881302e-14 | 2.469800953176819e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.744578880864103e+01 | 9.237055564881302e-14 | 2.469800953176819e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.744578880864126e+01 | -1.421085471520200e-13 | -3.799693774118182e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -3.744578880864113e+01 | -1.421085471520200e-14 | -3.799693774118183e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.744578880864117e+01 | -4.973799150320701e-14 | -1.329892820941364e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.744578880864126e+01 | -1.421085471520200e-13 | -3.799693774118182e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.744578880864103e+01 | 9.237055564881302e-14 | 2.469800953176819e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.744578880864103e+01 | 9.237055564881302e-14 | 2.469800953176819e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -3.744578880864103e+01 | 9.237055564881302e-14 | 2.469800953176819e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.744578880864101e+01 | 1.136868377216160e-13 | 3.039755019294546e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -3.744578880864103e+01 | 9.237055564881302e-14 | 2.469800953176819e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.744578880864124e+01 | -1.207922650792170e-13 | -3.229739708000455e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.744578880864101e+01 | 1.136868377216160e-13 | 3.039755019294546e-01 | PASS |
| foss-mpi-min: [foss2022a-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: [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 |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.744578880864125e+01 | -1.350031197944190e-13 | -3.609709085412273e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -3.744578880864104e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -3.744578880864107e+01 | 4.973799150320701e-14 | 1.329892820941364e-01 | PASS |