Match comparison for Benzene Energy [step 0] (match type 20283)
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
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 | -3.744578880864104e+01 | 9.890336306082087e-14 | -3.744578880864113e+01 | 1.811883976188255e-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] | -3.744578880864101e+01 | 1.065814103640150e-13 | 2.849770330588637e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.744578880864101e+01 | 1.065814103640150e-13 | 2.849770330588637e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -3.744578880864101e+01 | 1.065814103640150e-13 | 2.849770330588637e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.744578880864095e+01 | 1.705302565824240e-13 | 4.559632528941819e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.744578880864095e+01 | 1.705302565824240e-13 | 4.559632528941819e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -3.744578880864095e+01 | 1.705302565824240e-13 | 4.559632528941819e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -3.744578880864095e+01 | 1.705302565824240e-13 | 4.559632528941819e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.744578880864095e+01 | 1.705302565824240e-13 | 4.559632528941819e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -3.744578880864095e+01 | 1.705302565824240e-13 | 4.559632528941819e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -3.744578880864095e+01 | 1.705302565824240e-13 | 4.559632528941819e-01 | PASS |
| intel-serial: [intel2023a-serial] | -3.744578880864131e+01 | -1.918465386552271e-13 | -5.129586595059547e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -3.744578880864095e+01 | 1.705302565824240e-13 | 4.559632528941819e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -3.744578880864101e+01 | 1.065814103640150e-13 | 2.849770330588637e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -3.744578880864112e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.744578880864095e+01 | 1.705302565824240e-13 | 4.559632528941819e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.744578880864100e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.744578880864100e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| intel-omp: [intel2023a-serial] | -3.744578880864120e+01 | -8.526512829121202e-14 | -2.279816264470910e-01 | PASS |
| intel-omp: [intel2022a-serial] | -3.744578880864120e+01 | -8.526512829121202e-14 | -2.279816264470910e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.744578880864110e+01 | 1.421085471520200e-14 | 3.799693774118183e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -3.744578880864100e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -3.744578880864100e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.744578880864100e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.744578880864100e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -3.744578880864103e+01 | 8.526512829121202e-14 | 2.279816264470910e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.744578880864118e+01 | -5.684341886080801e-14 | -1.519877509647273e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -3.744578880864100e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -3.744578880864100e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -3.744578880864100e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -3.744578880864117e+01 | -4.973799150320701e-14 | -1.329892820941364e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.744578880864125e+01 | -1.350031197944190e-13 | -3.609709085412273e-01 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -3.744578880864105e+01 | 7.105427357601002e-14 | 1.899846887059091e-01 | PASS |