Match comparison for Energy [step 0] (match type 29345)
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Input 24-adsic_freeze_orbitals.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.013509098871892e+00 | 1.150000000000000e-13 | -2.013509098871803e+00 | 3.630044300797539e-14 | -2.013509098871892e+00 | 1.043609643147647e-13 | PASS |
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Detailed information
Reference: -2.013509098871892, precision: 0.000000000000115| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -2.013509098871805e+00 | 8.704148513061227e-14 | 7.568824793966286e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -2.013509098871801e+00 | 9.059419880941277e-14 | 7.877756418209807e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -2.013509098871801e+00 | 9.059419880941277e-14 | 7.877756418209807e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.013509098871805e+00 | 8.704148513061227e-14 | 7.568824793966286e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -2.013509098871801e+00 | 9.059419880941277e-14 | 7.877756418209807e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -2.013509098871801e+00 | 9.059419880941277e-14 | 7.877756418209807e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -2.013509098871805e+00 | 8.704148513061227e-14 | 7.568824793966286e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -2.013509098871801e+00 | 9.059419880941277e-14 | 7.877756418209807e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -2.013509098871801e+00 | 9.059419880941277e-14 | 7.877756418209807e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -2.013509098871787e+00 | 1.048050535246148e-13 | 9.113482915183895e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -2.013509098871790e+00 | 1.016964290556643e-13 | 8.843167743970813e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -2.013509098871790e+00 | 1.016964290556643e-13 | 8.843167743970813e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -2.013509098871798e+00 | 9.370282327836321e-14 | 8.148071589422888e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.013509098871790e+00 | 1.016964290556643e-13 | 8.843167743970813e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -2.013509098871787e+00 | 1.048050535246148e-13 | 9.113482915183895e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.013509098871790e+00 | 1.016964290556643e-13 | 8.843167743970813e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -2.013509098871801e+00 | 9.059419880941277e-14 | 7.877756418209807e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -2.013509098871789e+00 | 1.034727858950646e-13 | 8.997633556092574e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.013509098871794e+00 | 9.769962616701378e-14 | 8.495619666696851e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -2.013509098871791e+00 | 1.012523398458143e-13 | 8.804551290940372e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -2.013509098871790e+00 | 1.016964290556643e-13 | 8.843167743970813e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.013509098871792e+00 | 1.003641614261142e-13 | 8.727318384879492e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -2.013509098871996e+00 | -1.039168751049147e-13 | -9.036250009123014e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -2.013509098871791e+00 | 1.012523398458143e-13 | 8.804551290940372e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -2.013509098871791e+00 | 1.012523398458143e-13 | 8.804551290940372e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -2.013509098871795e+00 | 9.681144774731365e-14 | 8.418386760635971e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.013509098871794e+00 | 9.814371537686384e-14 | 8.534236119727291e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -2.013509098871788e+00 | 1.039168751049147e-13 | 9.036250009123014e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.013509098871791e+00 | 1.012523398458143e-13 | 8.804551290940372e-01 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | -2.013509098871831e+00 | 6.128431095930864e-14 | 5.329070518200751e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.013509098871792e+00 | 1.003641614261142e-13 | 8.727318384879492e-01 | PASS |