Match comparison for Benzene Energy [step 20] (match type 20284)
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744565857691556e+01 | 3.740000000000000e-13 | -3.744565857691548e+01 | 9.254246443467892e-14 | -3.744565857691556e+01 | 2.202682480856311e-13 | PASS |
Checks for this match
- GPU builders have different values. Intel® builders have different values.
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Detailed information
Reference: -37.445658576915555, precision: 0.000000000000374| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -3.744565857691578e+01 | -2.202682480856311e-13 | -5.889525349883183e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.744565857691543e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -3.744565857691543e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -3.744565857691543e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.744565857691547e+01 | 8.526512829121202e-14 | 2.279816264470910e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.744565857691547e+01 | 8.526512829121202e-14 | 2.279816264470910e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -3.744565857691542e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.744565857691547e+01 | 8.526512829121202e-14 | 2.279816264470910e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -3.744565857691547e+01 | 8.526512829121202e-14 | 2.279816264470910e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -3.744565857691547e+01 | 8.526512829121202e-14 | 2.279816264470910e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -3.744565857691560e+01 | -4.263256414560601e-14 | -1.139908132235455e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.744565857691576e+01 | -2.060573933704291e-13 | -5.509555972471365e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.744565857691536e+01 | 1.918465386552271e-13 | 5.129586595059547e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.744565857691547e+01 | 8.526512829121202e-14 | 2.279816264470910e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.744565857691543e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.744565857691533e+01 | 2.202682480856311e-13 | 5.889525349883183e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -3.744565857691542e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |