Match comparison for Benzene Energy [step 20] (match type 24558)
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
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 | -3.744341454491955e+01 | 6.282881480440279e-14 | -3.744341454491957e+01 | 1.207922650792170e-13 | PASS |
Checks for this match
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Intel® builders have different values.
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Detailed information
Reference: -37.4434318288578, precision: 0.003| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -3.744341454491954e+01 | 1.728393825572994e-05 | 5.761312751909979e-03 | PASS |
| foss_min_autotools: [foss2022a-serial] | -3.744341454491954e+01 | 1.728393825572994e-05 | 5.761312751909979e-03 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.744341454491954e+01 | 1.728393825572994e-05 | 5.761312751909979e-03 | PASS |
| foss_min_autotools: [foss2023b-serial] | -3.744341454491954e+01 | 1.728393825572994e-05 | 5.761312751909979e-03 | PASS |
| foss_min_autotools: [foss2023a-serial] | -3.744341454491954e+01 | 1.728393825572994e-05 | 5.761312751909979e-03 | PASS |
| foss_autotools: [foss2023a-serial] | -3.744341454491954e+01 | 1.728393825572994e-05 | 5.761312751909979e-03 | PASS |
| foss_autotools: [foss2022a-serial] | -3.744341454491954e+01 | 1.728393825572994e-05 | 5.761312751909979e-03 | PASS |
| foss_autotools: [foss2023b-serial] | -3.744341454491954e+01 | 1.728393825572994e-05 | 5.761312751909979e-03 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -3.744341454491954e+01 | 1.728393825572994e-05 | 5.761312751909979e-03 | PASS |
| intel_autotools: [intel2023a-serial] | -3.744341454491969e+01 | 1.728393810651596e-05 | 5.761312702171987e-03 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.744341454491950e+01 | 1.728393829836250e-05 | 5.761312766120834e-03 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.744341454491950e+01 | 1.728393829836250e-05 | 5.761312766120834e-03 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -3.744341454491950e+01 | 1.728393829836250e-05 | 5.761312766120834e-03 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -3.744341454491950e+01 | 1.728393829836250e-05 | 5.761312766120834e-03 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.744341454491951e+01 | 1.728393828415165e-05 | 5.761312761383881e-03 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -3.744341454491946e+01 | 1.728393833388964e-05 | 5.761312777963212e-03 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.744341454491951e+01 | 1.728393828415165e-05 | 5.761312761383881e-03 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.744341454491951e+01 | 1.728393828415165e-05 | 5.761312761383881e-03 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.744341454491967e+01 | 1.728393812783224e-05 | 5.761312709277415e-03 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -3.744341454491951e+01 | 1.728393828415165e-05 | 5.761312761383881e-03 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.744341454491967e+01 | 1.728393812783224e-05 | 5.761312709277415e-03 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -3.744341454491954e+01 | 1.728393825572994e-05 | 5.761312751909979e-03 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -3.744341454491963e+01 | 1.728393817046481e-05 | 5.761312723488269e-03 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -3.744341454491951e+01 | 1.728393828415165e-05 | 5.761312761383881e-03 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.744341454491965e+01 | 1.728393814914853e-05 | 5.761312716382842e-03 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -3.744341454491951e+01 | 1.728393828415165e-05 | 5.761312761383881e-03 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.744341454491968e+01 | 1.728393812072682e-05 | 5.761312706908939e-03 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.744341454491951e+01 | 1.728393828415165e-05 | 5.761312761383881e-03 | PASS |
| foss_cmake_ceph: [foss2022a-mpi, foss-min-mpi] | -3.744341454491950e+01 | 1.728393829836250e-05 | 5.761312766120834e-03 | PASS |
| foss_cmake_ceph: [foss2023a-mpi, foss-min-mpi] | -3.744341454491950e+01 | 1.728393829836250e-05 | 5.761312766120834e-03 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.744341454491949e+01 | 1.728393830546793e-05 | 5.761312768489309e-03 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.744341454491945e+01 | 1.728393834810049e-05 | 5.761312782700164e-03 | PASS |