Match comparison for Benzene Multipoles [step 20] (match type 30137)
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.094497201627490e-02 | 1.360000000000000e-14 | -2.094497201627334e-02 | 7.187389155904356e-15 | -2.094497201627512e-02 | 1.285083151003619e-14 | PASS |
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Detailed information
Reference: -0.0209449720162749, precision: 0.0000000000000136| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -2.094497201627060e-02 | 4.305583667374435e-15 | 3.165870343657673e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -2.094497201627060e-02 | 4.305583667374435e-15 | 3.165870343657673e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.094497201627060e-02 | 4.305583667374435e-15 | 3.165870343657673e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -2.094497201627060e-02 | 4.305583667374435e-15 | 3.165870343657673e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -2.094497201627060e-02 | 4.305583667374435e-15 | 3.165870343657673e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -2.094497201627060e-02 | 4.305583667374435e-15 | 3.165870343657673e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -2.094497201627060e-02 | 4.305583667374435e-15 | 3.165870343657673e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -2.094497201627060e-02 | 4.305583667374435e-15 | 3.165870343657673e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -2.094497201627060e-02 | 4.305583667374435e-15 | 3.165870343657673e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -2.094497201628797e-02 | -1.306593722105731e-14 | -9.607306780189199e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -2.094497201627998e-02 | -5.075800890708138e-15 | -3.732206537285395e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -2.094497201627998e-02 | -5.075800890708138e-15 | -3.732206537285395e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -2.094497201627998e-02 | -5.075800890708138e-15 | -3.732206537285395e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -2.094497201627998e-02 | -5.075800890708138e-15 | -3.732206537285395e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.094497201626493e-02 | 9.971190539914687e-15 | 7.331757749937270e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -2.094497201626227e-02 | 1.263572579901506e-14 | 9.290974852216958e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -2.094497201626493e-02 | 9.971190539914687e-15 | 7.331757749937270e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.094497201626493e-02 | 9.971190539914687e-15 | 7.331757749937270e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.094497201628473e-02 | -9.828943214884589e-15 | -7.227164128591610e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -2.094497201626493e-02 | 9.971190539914687e-15 | 7.331757749937270e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.094497201628473e-02 | -9.828943214884589e-15 | -7.227164128591610e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -2.094497201627060e-02 | 4.305583667374435e-15 | 3.165870343657673e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -2.094497201628260e-02 | -7.695233339433116e-15 | -5.658259808406703e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -2.094497201626493e-02 | 9.971190539914687e-15 | 7.331757749937270e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -2.094497201627053e-02 | 4.374972606413507e-15 | 3.216891622362873e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -2.094497201626661e-02 | 8.295447662121092e-15 | 6.099593869206685e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.094497201628518e-02 | -1.028344076559051e-14 | -7.561353504110671e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -2.094497201626493e-02 | 9.971190539914687e-15 | 7.331757749937270e-01 | PASS |
| foss_cmake_ceph: [foss2022a-mpi, foss-min-mpi] | -2.094497201627998e-02 | -5.075800890708138e-15 | -3.732206537285395e-01 | PASS |
| foss_cmake_ceph: [foss2023a-mpi, foss-min-mpi] | -2.094497201627998e-02 | -5.075800890708138e-15 | -3.732206537285395e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.094497201627617e-02 | -1.269817584415023e-15 | -9.336894003051638e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.094497201627094e-02 | 3.962108419131027e-15 | 2.913315014066932e-01 | PASS |