Match comparison for Benzene Multipoles [step 20] (match type 23477)
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Input 12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.094606330454323e-02 | 1.540000000000000e-14 | -2.094606330453961e-02 | 7.227217869738132e-15 | -2.094606330454324e-02 | 1.403044347370042e-14 | PASS |
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Detailed information
Reference: -0.020946063304543232, precision: 0.0000000000000154| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| spack_foss-2022a_serial | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| spack_foss-2022a_serial_min | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| spack_foss-2022a_ppc | -2.094606330455091e-02 | -7.674416657721395e-15 | -4.983387440078828e-01 | PASS |
| spack_foss-2023a_serial | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| spack_foss-2023b_serial | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.094606330453307e-02 | 1.016201012227214e-14 | 6.598707871605284e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.094606330453307e-02 | 1.016201012227214e-14 | 6.598707871605284e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.094606330452920e-02 | 1.402697402674846e-14 | 9.108424692693807e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.094606330453307e-02 | 1.016201012227214e-14 | 6.598707871605284e-01 | PASS |
| spack_foss-2022a_mpi | -2.094606330453307e-02 | 1.016201012227214e-14 | 6.598707871605284e-01 | PASS |
| spack_foss-2023a_mpi | -2.094606330453307e-02 | 1.016201012227214e-14 | 6.598707871605284e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.094606330453307e-02 | 1.016201012227214e-14 | 6.598707871605284e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -2.094606330455727e-02 | -1.403391292065237e-14 | -9.112930467956084e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -2.094606330455145e-02 | -8.222589276130066e-15 | -5.339343685798744e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -2.094606330455145e-02 | -8.222589276130066e-15 | -5.339343685798744e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -2.094606330452920e-02 | 1.402697402674846e-14 | 9.108424692693807e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -2.094606330455091e-02 | -7.674416657721395e-15 | -4.983387440078828e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.094606330453326e-02 | 9.974659986866641e-15 | 6.477051939523792e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -2.094606330453307e-02 | 1.016201012227214e-14 | 6.598707871605284e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -2.094606330453307e-02 | 1.016201012227214e-14 | 6.598707871605284e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -2.094606330453326e-02 | 9.974659986866641e-15 | 6.477051939523792e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -2.094606330453307e-02 | 1.016201012227214e-14 | 6.598707871605284e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.094606330454809e-02 | -4.853756285783106e-15 | -3.151789795963056e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.094606330453307e-02 | 1.016201012227214e-14 | 6.598707871605284e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.094606330455210e-02 | -8.871375856145391e-15 | -5.760633672821683e-01 | PASS |
| spack_intel-2023a_serial | -2.094606330455727e-02 | -1.403391292065237e-14 | -9.112930467956084e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.094606330455145e-02 | -8.222589276130066e-15 | -5.339343685798744e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.094606330455145e-02 | -8.222589276130066e-15 | -5.339343685798744e-01 | PASS |
| spack_intel-2023a_impi | -2.094606330453892e-02 | 4.309053114326389e-15 | 2.798086437874279e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.094606330453880e-02 | 4.427014310692812e-15 | 2.874684617332995e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.094606330454486e-02 | -1.630640067418199e-15 | -1.058857186635194e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -2.094606330453307e-02 | 1.016201012227214e-14 | 6.598707871605284e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -2.094606330453307e-02 | 1.016201012227214e-14 | 6.598707871605284e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -2.094606330454059e-02 | 2.643718577388654e-15 | 1.716700374927697e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -2.094606330454059e-02 | 2.643718577388654e-15 | 1.716700374927697e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.094606330453880e-02 | 4.427014310692812e-15 | 2.874684617332995e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -2.094606330453892e-02 | 4.309053114326389e-15 | 2.798086437874279e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -2.094606330455210e-02 | -8.871375856145391e-15 | -5.760633672821683e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -2.094606330454809e-02 | -4.853756285783106e-15 | -3.151789795963056e-01 | PASS |