Match comparison for Benzene Multipoles [step 20] (match type 20286)
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.094497332627963e-02 | 9.000000000000000e-07 | -2.094508926169534e-02 | 7.033060473682915e-15 | -2.094508926169746e-02 | 1.336257493544935e-14 | PASS |
Checks for this match
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Detailed information
Reference: -0.020944973326279627, precision: 0.0000009| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -2.094508926169249e-02 | -1.159354128602019e-07 | -1.288171254002244e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.094508926169249e-02 | -1.159354128602019e-07 | -1.288171254002244e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -2.094508926169249e-02 | -1.159354128602019e-07 | -1.288171254002244e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -2.094508926169249e-02 | -1.159354128602019e-07 | -1.288171254002244e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -2.094508926169249e-02 | -1.159354128602019e-07 | -1.288171254002244e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -2.094508926169249e-02 | -1.159354128602019e-07 | -1.288171254002244e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -2.094508926169249e-02 | -1.159354128602019e-07 | -1.288171254002244e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -2.094508926169249e-02 | -1.159354128602019e-07 | -1.288171254002244e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -2.094508926171083e-02 | -1.159354311996985e-07 | -1.288171457774428e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -2.094508926170222e-02 | -1.159354225954701e-07 | -1.288171362171890e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -2.094508926170222e-02 | -1.159354225954701e-07 | -1.288171362171890e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -2.094508926170222e-02 | -1.159354225954701e-07 | -1.288171362171890e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.094508926168855e-02 | -1.159354089223796e-07 | -1.288171210248663e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -2.094508926170222e-02 | -1.159354225954701e-07 | -1.288171362171890e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -2.094508926169249e-02 | -1.159354128602019e-07 | -1.288171254002244e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.094508926168855e-02 | -1.159354089223796e-07 | -1.288171210248663e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -2.094508926168410e-02 | -1.159354044745486e-07 | -1.288171160828318e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.094508926170700e-02 | -1.159354273694291e-07 | -1.288171415215879e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -2.094508926168855e-02 | -1.159354089223796e-07 | -1.288171210248663e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.094508926170700e-02 | -1.159354273694291e-07 | -1.288171415215879e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -2.094508926168855e-02 | -1.159354089223796e-07 | -1.288171210248663e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -2.094508926168855e-02 | -1.159354089223796e-07 | -1.288171210248663e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -2.094508926169249e-02 | -1.159354128602019e-07 | -1.288171254002244e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -2.094508926170558e-02 | -1.159354259504253e-07 | -1.288171399449170e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -2.094508926169293e-02 | -1.159354133042911e-07 | -1.288171258936568e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -2.094508926168855e-02 | -1.159354089223796e-07 | -1.288171210248663e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -2.094508926168868e-02 | -1.159354090542186e-07 | -1.288171211713540e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.094508926170659e-02 | -1.159354269635038e-07 | -1.288171410705598e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.094508926169352e-02 | -1.159354138940971e-07 | -1.288171265489968e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.094508926169904e-02 | -1.159354194105178e-07 | -1.288171326783531e-01 | PASS |