Match comparison for Benzene Energy [step 0] (match type 20283)
Commits >
Commit 1f10c93c74388b17aea6526c581521be8cd6aa14 >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744578235744385e+01 | 5.100000000000000e-08 | -3.744578235744473e+01 | 1.330006887279591e-13 | -3.744578235744478e+01 | 2.486899575160351e-13 | PASS |
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Detailed information
Reference: -37.445782357443846, precision: 0.000000051| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_min_serial | -3.744578235744460e+01 | -7.531752999057062e-13 | -1.476814313540600e-05 | PASS |
| cmake_foss_2022a_full_serial | -3.744578235744460e+01 | -7.531752999057062e-13 | -1.476814313540600e-05 | PASS |
| spack_foss-2022a_serial_min | -3.744578235744460e+01 | -7.531752999057062e-13 | -1.476814313540600e-05 | PASS |
| cmake_foss_2022a_min_mpi | -3.744578235744475e+01 | -9.023892744153272e-13 | -1.769390734147701e-05 | PASS |
| spack_foss-2022a_ppc | -3.744578235744483e+01 | -9.805489753489383e-13 | -1.922645049703800e-05 | PASS |
| spack_foss-2022a_serial | -3.744578235744460e+01 | -7.531752999057062e-13 | -1.476814313540600e-05 | PASS |
| cmake_foss_2022a_full_mpi | -3.744578235744484e+01 | -9.947598300641403e-13 | -1.950509470714001e-05 | PASS |
| spack_foss-2022a_mpi_min | -3.744578235744484e+01 | -9.947598300641403e-13 | -1.950509470714001e-05 | PASS |
| spack_foss-2022a_mpi | -3.744578235744484e+01 | -9.947598300641403e-13 | -1.950509470714001e-05 | PASS |
| spack_foss-2023a_mpi | -3.744578235744484e+01 | -9.947598300641403e-13 | -1.950509470714001e-05 | PASS |
| spack_foss-2023a_mpi_min | -3.744578235744484e+01 | -9.947598300641403e-13 | -1.950509470714001e-05 | PASS |
| spack_foss-2023a_serial | -3.744578235744460e+01 | -7.531752999057062e-13 | -1.476814313540600e-05 | PASS |
| spack_foss-2023a_mpi_opt | -3.744578235744484e+01 | -9.947598300641403e-13 | -1.950509470714001e-05 | PASS |
| spack_foss-2023a_mpi_debug | -3.744578235744484e+01 | -9.947598300641403e-13 | -1.950509470714001e-05 | PASS |
| spack_foss-2023a_serial_debug | -3.744578235744460e+01 | -7.531752999057062e-13 | -1.476814313540600e-05 | PASS |
| spack_foss-2023a_serial_min | -3.744578235744460e+01 | -7.531752999057062e-13 | -1.476814313540600e-05 | PASS |
| spack_foss-2022a_cuda_serial | -3.744578235744464e+01 | -7.958078640513122e-13 | -1.560407576571200e-05 | PASS |
| spack_foss-2023a_mpi_omp | -3.744578235744483e+01 | -9.805489753489383e-13 | -1.922645049703800e-05 | PASS |
| spack_foss-2023a_serial_opt | -3.744578235744460e+01 | -7.531752999057062e-13 | -1.476814313540600e-05 | PASS |
| spack_foss-2023a_serial_omp | -3.744578235744480e+01 | -9.521272659185342e-13 | -1.866916207683401e-05 | PASS |
| spack_foss-2023b_serial | -3.744578235744460e+01 | -7.531752999057062e-13 | -1.476814313540600e-05 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.744578235744473e+01 | -8.810729923425242e-13 | -1.727594102632401e-05 | PASS |
| spack_intel-2023a_serial | -3.744578235744453e+01 | -6.821210263296962e-13 | -1.337492208489600e-05 | PASS |
| spack_intel-2022a_serial_omp | -3.744578235744492e+01 | -1.072919530997751e-12 | -2.103763786270100e-05 | PASS |
| spack_intel-2023a_serial_omp | -3.744578235744492e+01 | -1.072919530997751e-12 | -2.103763786270100e-05 | PASS |
| spack_intel-2023a_impi | -3.744578235744464e+01 | -7.958078640513122e-13 | -1.560407576571200e-05 | PASS |
| spack_intel-2022a_impi_omp | -3.744578235744503e+01 | -1.179500941361766e-12 | -2.312746943846601e-05 | PASS |