Match comparison for Tot. Maxwell energy [step 300] (match type 20973)
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.401527129922635e-06 | 6.000000000000000e-11 | 1.401532253053742e-06 | 3.060127553424433e-20 | 1.401532253053768e-06 | 7.051549285892050e-20 | PASS |
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Detailed information
Reference: 0.0000014015271299226352, precision: 0.00000000006| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | 1.401532253053734e-06 | 5.123131098520425e-12 | 8.538551830867375e-02 | PASS |
| foss_min_autotools: [foss2022a-serial] | 1.401532253053734e-06 | 5.123131098520425e-12 | 8.538551830867375e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 1.401532253053734e-06 | 5.123131098520425e-12 | 8.538551830867375e-02 | PASS |
| foss_min_autotools: [foss2023a-serial] | 1.401532253053734e-06 | 5.123131098520425e-12 | 8.538551830867375e-02 | PASS |
| foss_min_autotools: [foss2023b-serial] | 1.401532253053734e-06 | 5.123131098520425e-12 | 8.538551830867375e-02 | PASS |
| foss_autotools: [foss2022a-serial] | 1.401532253053734e-06 | 5.123131098520425e-12 | 8.538551830867375e-02 | PASS |
| foss_autotools: [foss2023a-serial] | 1.401532253053734e-06 | 5.123131098520425e-12 | 8.538551830867375e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 1.401532253053734e-06 | 5.123131098520425e-12 | 8.538551830867375e-02 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | 1.401532253053698e-06 | 5.123131062521524e-12 | 8.538551770869207e-02 | PASS |
| intel_autotools: [intel2023a-serial] | 1.401532253053727e-06 | 5.123131091744161e-12 | 8.538551819573602e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 1.401532253053698e-06 | 5.123131062521524e-12 | 8.538551770869207e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 1.401532253053698e-06 | 5.123131062521524e-12 | 8.538551770869207e-02 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | 1.401532253053698e-06 | 5.123131062521524e-12 | 8.538551770869207e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 1.401532253053754e-06 | 5.123131119272732e-12 | 8.538551865454554e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 1.401532253053754e-06 | 5.123131119272732e-12 | 8.538551865454554e-02 | PASS |
| foss_autotools: [foss2023b-serial] | 1.401532253053734e-06 | 5.123131098520425e-12 | 8.538551830867375e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 1.401532253053839e-06 | 5.123131203552510e-12 | 8.538552005920851e-02 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 1.401532253053754e-06 | 5.123131119272732e-12 | 8.538551865454554e-02 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 1.401532253053754e-06 | 5.123131119272732e-12 | 8.538551865454554e-02 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 1.401532253053754e-06 | 5.123131119272732e-12 | 8.538551865454554e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 1.401532253053721e-06 | 5.123131085603172e-12 | 8.538551809338621e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 1.401532253053721e-06 | 5.123131085603172e-12 | 8.538551809338621e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 1.401532253053765e-06 | 5.123131129437127e-12 | 8.538551882395212e-02 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 1.401532253053734e-06 | 5.123131098520425e-12 | 8.538551830867375e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 1.401532253053744e-06 | 5.123131108684820e-12 | 8.538551847808033e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 1.401532253053740e-06 | 5.123131104873172e-12 | 8.538551841455286e-02 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 1.401532253053754e-06 | 5.123131119272732e-12 | 8.538551865454554e-02 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 1.401532253053819e-06 | 5.123131183435478e-12 | 8.538551972392464e-02 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 1.401532253053754e-06 | 5.123131118425699e-12 | 8.538551864042832e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 1.401532253053782e-06 | 5.123131147013061e-12 | 8.538551911688436e-02 | PASS |