Match comparison for Benzene Multipoles [step 0] (match type 23469)
Commits >
Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 0.000000000000000e+00 | 2.540000000000000e-14 | 3.735355260081751e-15 | 7.398432294275451e-15 | 8.783245792400031e-16 | 1.314699226150280e-14 | PASS |
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Detailed information
Reference: 0.0, precision: 0.0000000000000254| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2023a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| foss_autotools: [foss2022a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| foss_autotools: [foss2023b-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -1.226866768226279e-14 | -1.226866768226279e-14 | -4.830184126875116e-01 | PASS |
| foss_autotools: [foss2023a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 1.402531684074280e-14 | 1.402531684074280e-14 | 5.521778283757007e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -8.151466198038551e-15 | -8.151466198038551e-15 | -3.209238660645098e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -8.151466198038551e-15 | -8.151466198038551e-15 | -3.209238660645098e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -7.174657253009115e-15 | -7.174657253009115e-15 | -2.824668209846108e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -3.842122168190644e-15 | -3.842122168190644e-15 | -1.512646522909702e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 4.374028014102483e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 4.374028014102483e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 4.374028014102483e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 4.374028014102483e-01 | PASS |
| foss-cmake: [foss2022a-serial, foss-min] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| foss-cmake: [foss2022a-serial, foss-full] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -3.842122168190644e-15 | -3.842122168190644e-15 | -1.512646522909702e-01 | PASS |
| foss-cmake: [foss2022a-mpi, foss-min-mpi] | -3.842122168190644e-15 | -3.842122168190644e-15 | -1.512646522909702e-01 | PASS |
| foss-cmake: [foss2023a-mpi, foss-full-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 4.374028014102483e-01 | PASS |
| foss-cmake: [foss2022a-mpi, foss-full-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 4.374028014102483e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 6.410158547691139e-15 | 6.410158547691139e-15 | 2.523684467594937e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 1.064485585861505e-14 | 1.064485585861505e-14 | 4.190888133313011e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -7.911717192213887e-15 | -7.911717192213887e-15 | -3.114849288273184e-01 | PASS |
| foss-cmake: [foss2023a-mpi, foss-min-mpi] | -3.842122168190644e-15 | -3.842122168190644e-15 | -1.512646522909702e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 5.978209147554571e-15 | 5.978209147554571e-15 | 2.353625648643532e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.510418736695378e-15 | -1.510418736695378e-15 | -5.946530459430624e-02 | PASS |