Match comparison for Benzene Energy [step 20] (match type 20284)
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
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 | 1.015769654718761e-13 | -3.744565857691556e+01 | 2.273736754432321e-13 | PASS |
Checks for this match
- GPU 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] | -3.744565857691544e+01 | 1.136868377216160e-13 | 3.039755019294546e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -3.744565857691544e+01 | 1.136868377216160e-13 | 3.039755019294546e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.744565857691544e+01 | 1.136868377216160e-13 | 3.039755019294546e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -3.744565857691544e+01 | 1.136868377216160e-13 | 3.039755019294546e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -3.744565857691544e+01 | 1.136868377216160e-13 | 3.039755019294546e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -3.744565857691544e+01 | 1.136868377216160e-13 | 3.039755019294546e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -3.744565857691544e+01 | 1.136868377216160e-13 | 3.039755019294546e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -3.744565857691544e+01 | 1.136868377216160e-13 | 3.039755019294546e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -3.744565857691542e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -3.744565857691579e+01 | -2.344791028008331e-13 | -6.269494727295001e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.744565857691542e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.744565857691542e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -3.744565857691542e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -3.744565857691544e+01 | 1.136868377216160e-13 | 3.039755019294546e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -3.744565857691541e+01 | 1.492139745096210e-13 | 3.989678462824092e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.744565857691559e+01 | -3.552713678800501e-14 | -9.499234435295456e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.744565857691559e+01 | -3.552713678800501e-14 | -9.499234435295456e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -3.744565857691560e+01 | -4.263256414560601e-14 | -1.139908132235455e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -3.744565857691544e+01 | 1.136868377216160e-13 | 3.039755019294546e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.744565857691535e+01 | 2.060573933704291e-13 | 5.509555972471365e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.744565857691576e+01 | -2.060573933704291e-13 | -5.509555972471365e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -3.744565857691542e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.744565857691533e+01 | 2.202682480856311e-13 | 5.889525349883183e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.744565857691562e+01 | -6.394884621840902e-14 | -1.709862198353182e-01 | PASS |