Match comparison for Benzene Energy [step 20] (match type 24558)
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744343182885780e+01 | 3.000000000000000e-03 | -3.744341454491952e+01 | 7.356348149602587e-14 | -3.744341454491956e+01 | 1.172395514004165e-13 | PASS |
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Detailed information
Reference: -37.4434318288578, precision: 0.003| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.744341454491949e+01 | 1.728393830546793e-05 | 5.761312768489309e-03 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -3.744341454491949e+01 | 1.728393830546793e-05 | 5.761312768489309e-03 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -3.744341454491949e+01 | 1.728393830546793e-05 | 5.761312768489309e-03 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -3.744341454491945e+01 | 1.728393834810049e-05 | 5.761312782700164e-03 | PASS |
| foss-serial-min: [foss2023a-serial] | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| foss-serial-min: [foss2022a-serial] | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| foss-serial-full: [foss2023a-serial] | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| foss-serial-full: [foss2023b-serial] | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| foss-opt-full: [foss2023a-serial] | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| intel-serial: [intel2023a-serial] | -3.744341454491966e+01 | 1.728393813493767e-05 | 5.761312711645890e-03 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| foss-ppc: [foss2022a-serial] | -3.744341454491964e+01 | 1.728393815625395e-05 | 5.761312718751317e-03 | PASS |
| intel-omp: [intel2023a-serial] | -3.744341454491968e+01 | 1.728393811362139e-05 | 5.761312704540463e-03 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.744341454491945e+01 | 1.728393834810049e-05 | 5.761312782700164e-03 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -3.744341454491945e+01 | 1.728393834810049e-05 | 5.761312782700164e-03 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.744341454491948e+01 | 1.728393831967878e-05 | 5.761312773226261e-03 | PASS |
| intel-omp: [intel2022a-serial] | -3.744341454491968e+01 | 1.728393811362139e-05 | 5.761312704540463e-03 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.744341454491945e+01 | 1.728393834810049e-05 | 5.761312782700164e-03 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -3.744341454491945e+01 | 1.728393834810049e-05 | 5.761312782700164e-03 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.744341454491948e+01 | 1.728393831257335e-05 | 5.761312770857785e-03 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.744341454491948e+01 | 1.728393831257335e-05 | 5.761312770857785e-03 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.744341454491965e+01 | 1.728393814914853e-05 | 5.761312716382842e-03 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -3.744341454491948e+01 | 1.728393831257335e-05 | 5.761312770857785e-03 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -3.744341454491948e+01 | 1.728393831257335e-05 | 5.761312770857785e-03 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -3.744341454491950e+01 | 1.728393829836250e-05 | 5.761312766120834e-03 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.744341454491968e+01 | 1.728393811362139e-05 | 5.761312704540463e-03 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -3.744341454491948e+01 | 1.728393831967878e-05 | 5.761312773226261e-03 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -3.744341454491951e+01 | 1.728393828415165e-05 | 5.761312761383881e-03 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -3.744341454491945e+01 | 1.728393834810049e-05 | 5.761312782700164e-03 | PASS |