Match comparison for Tot. Maxwell energy [step 300] (match type 30139)
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.401555572859944e-06 | 8.539999999999999e-20 | 1.401555572859920e-06 | 3.175169439182744e-20 | 1.401555572859944e-06 | 7.760939379217527e-20 | PASS |
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Detailed information
Reference: 0.000001401555572859944, precision: 0.0000000000000000000854| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 1.401555572859910e-06 | -3.451659260061274e-20 | -4.041755573842241e-01 | PASS |
| cmake_foss_2022a_full_serial | 1.401555572859910e-06 | -3.451659260061274e-20 | -4.041755573842241e-01 | PASS |
| spack_foss-2022a_serial | 1.401555572859910e-06 | -3.451659260061274e-20 | -4.041755573842241e-01 | PASS |
| spack_foss-2022a_ppc | 1.401555572859954e-06 | 1.037615360386518e-20 | 1.215006276799201e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.401555572859925e-06 | -1.863472483959461e-20 | -2.182052088945504e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | 1.401555572859918e-06 | -2.583450489125616e-20 | -3.025117668765359e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.401555572859925e-06 | -1.863472483959461e-20 | -2.182052088945504e-01 | PASS |
| spack_foss-2022a_mpi | 1.401555572859925e-06 | -1.863472483959461e-20 | -2.182052088945504e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.401555572859910e-06 | -3.451659260061274e-20 | -4.041755573842241e-01 | PASS |
| spack_foss-2023a_mpi | 1.401555572859925e-06 | -1.863472483959461e-20 | -2.182052088945504e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.401555572859867e-06 | -7.729175643695491e-20 | -9.050556959830786e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | 1.401555572859925e-06 | -1.863472483959461e-20 | -2.182052088945504e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | 1.401555572859910e-06 | -3.451659260061274e-20 | -4.041755573842241e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | 1.401555572859910e-06 | -3.451659260061274e-20 | -4.041755573842241e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | 1.401555572859910e-06 | -3.451659260061274e-20 | -4.041755573842241e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | 1.401555572859906e-06 | -3.790472438962994e-20 | -4.438492317286878e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | 1.401555572860022e-06 | 7.792703114739563e-20 | 9.124945099226656e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | 1.401555572859894e-06 | -5.039846036163087e-20 | -5.901459058738978e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | 1.401555572859894e-06 | -5.039846036163087e-20 | -5.901459058738978e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | 1.401555572859911e-06 | -3.282252670610414e-20 | -3.843387202119923e-01 | PASS |
| spack_foss-2023a_mpi_debug | 1.401555572859925e-06 | -1.863472483959461e-20 | -2.182052088945504e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | 1.401555572859954e-06 | 1.037615360386518e-20 | 1.215006276799201e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | 1.401555572859910e-06 | -3.451659260061274e-20 | -4.041755573842241e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | 1.401555572859910e-06 | -3.451659260061274e-20 | -4.041755573842241e-01 | PASS |
| spack_foss-2023a_mpi_min | 1.401555572859925e-06 | -1.863472483959461e-20 | -2.182052088945504e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | 1.401555572859910e-06 | -3.451659260061274e-20 | -4.041755573842241e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | 1.401555572859910e-06 | -3.451659260061274e-20 | -4.041755573842241e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | 1.401555572859910e-06 | -3.451659260061274e-20 | -4.041755573842241e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | 1.401555572859910e-06 | -3.451659260061274e-20 | -4.041755573842241e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | 1.401555572859910e-06 | -3.451659260061274e-20 | -4.041755573842241e-01 | PASS |
| spack_foss-2023a_serial | 1.401555572859910e-06 | -3.451659260061274e-20 | -4.041755573842241e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | 1.401555572859867e-06 | -7.729175643695491e-20 | -9.050556959830786e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | 1.401555572859867e-06 | -7.729175643695491e-20 | -9.050556959830786e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | 1.401555572859925e-06 | -1.863472483959461e-20 | -2.182052088945504e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | 1.401555572859925e-06 | -1.863472483959461e-20 | -2.182052088945504e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | 1.401555572859995e-06 | 5.082197683525802e-20 | 5.951051151669557e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | 1.401555572859925e-06 | -1.863472483959461e-20 | -2.182052088945504e-01 | PASS |
| spack_foss-2023a_mpi_opt | 1.401555572859925e-06 | -1.863472483959461e-20 | -2.182052088945504e-01 | PASS |
| spack_foss-2023a_serial_debug | 1.401555572859910e-06 | -3.451659260061274e-20 | -4.041755573842241e-01 | PASS |
| spack_foss-2023a_serial_min | 1.401555572859910e-06 | -3.451659260061274e-20 | -4.041755573842241e-01 | PASS |
| spack_foss-2023a_serial_opt | 1.401555572859910e-06 | -3.451659260061274e-20 | -4.041755573842241e-01 | PASS |
| spack_foss-2023a_mpi_omp | 1.401555572859995e-06 | 5.082197683525802e-20 | 5.951051151669557e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | 1.401555572859957e-06 | 1.249373597200093e-20 | 1.462966741452100e-01 | PASS |
| spack_foss-2023b_serial | 1.401555572859910e-06 | -3.451659260061274e-20 | -4.041755573842241e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.401555572860022e-06 | 7.792703114739563e-20 | 9.124945099226656e-01 | PASS |
| spack_intel-2023a_serial | 1.401555572859906e-06 | -3.790472438962994e-20 | -4.438492317286878e-01 | PASS |
| spack_intel-2022a_serial_omp | 1.401555572859894e-06 | -5.039846036163087e-20 | -5.901459058738978e-01 | PASS |
| spack_intel-2023a_serial_omp | 1.401555572859894e-06 | -5.039846036163087e-20 | -5.901459058738978e-01 | PASS |
| spack_intel-2023a_impi | 1.401555572859911e-06 | -3.282252670610414e-20 | -3.843387202119923e-01 | PASS |
| spack_intel-2022a_impi_omp | 1.401555572859957e-06 | 1.249373597200093e-20 | 1.462966741452100e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.401555572859937e-06 | -6.776263578034403e-21 | -7.934734868892744e-02 | PASS |
| spack_foss-2022a_cuda_serial | 1.401555572859918e-06 | -2.583450489125616e-20 | -3.025117668765359e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | 1.401555572859867e-06 | -7.729175643695491e-20 | -9.050556959830786e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | 1.401555572859925e-06 | -1.863472483959461e-20 | -2.182052088945504e-01 | PASS |