Match comparison for Ionch [step 0] (match type 29473)
Commits >
Commit 85779d3dd9ec6e18544835020e079bae8c405b87 >
Input 24-adsic_freeze_orbitals.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.000000000000000e+00 | 1.000000000000000e-04 | 1.000000000000000e+00 | 3.834036857853910e-16 | 9.999999999999992e-01 | 9.992007221626409e-16 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 1.0, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| spack_foss-2023a_serial_min | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| spack_foss-2023a_serial_opt | 9.999999999999999e-01 | -1.110223024625157e-16 | -1.110223024625157e-12 | PASS |
| spack_foss-2022a_serial | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| spack_foss-2023a_serial | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| spack_foss-2023b_serial | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| spack_foss-2022a_ppc | 9.999999999999999e-01 | -1.110223024625157e-16 | -1.110223024625157e-12 | PASS |
| spack_foss-2022a_cuda_serial | 9.999999999999999e-01 | -1.110223024625157e-16 | -1.110223024625157e-12 | PASS |
| spack_foss-2022a_mpi_min | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| spack_foss-2023a_mpi_min | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| spack_foss-2023a_serial_omp | 9.999999999999999e-01 | -1.110223024625157e-16 | -1.110223024625157e-12 | PASS |
| spack_foss-2023a_mpi_opt | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| spack_foss-2023a_serial_debug | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| spack_foss-2022a_mpi | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| spack_foss-2023a_mpi | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| spack_foss-2023a_mpi_debug | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_omp | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | 9.999999999999999e-01 | -1.110223024625157e-16 | -1.110223024625157e-12 | PASS |
| cmake_foss_2022a_full_serial | 9.999999999999999e-01 | -1.110223024625157e-16 | -1.110223024625157e-12 | PASS |
| cmake_foss_2022a_min_mpi | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| spack_intel-2023a_serial | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| spack_intel-2022a_serial_omp | 1.000000000000000e+00 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| spack_intel-2022a_impi_omp | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_impi | 1.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_valgrind | 9.999999999999982e-01 | -1.776356839400250e-15 | -1.776356839400250e-11 | PASS |