Match comparison for Multipoles [step 0] (match type 29347)
Commits >
Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 >
Input 24-adsic_freeze_orbitals.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.218847493575595e-15 | 1.000000000000000e-04 | -2.788551266247389e-15 | 5.346899383305708e-15 | -7.719602824948250e-15 | 9.599876359204192e-15 | PASS |
Checks for this match
- Precision seems large and value close to zero. Should value be 0?
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Detailed information
Reference: 0.000000000000004218847493575595, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -9.497502449948925e-15 | -1.371634994352452e-14 | -1.371634994352452e-10 | PASS |
| cmake_foss_2022a_full_mpi | -4.996003610813204e-16 | -4.718447854656915e-15 | -4.718447854656915e-11 | PASS |
| cmake_foss_2022a_min_serial | -9.497502449948925e-15 | -1.371634994352452e-14 | -1.371634994352452e-10 | PASS |
| cmake_foss_2022a_min_mpi | -1.731947918415244e-14 | -2.153832667772804e-14 | -2.153832667772804e-10 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -9.992007221626409e-15 | -1.421085471520200e-14 | -1.421085471520200e-10 | PASS |
| spack_foss-2022a_mpi | 5.412337245047638e-16 | -3.677613769070831e-15 | -3.677613769070831e-11 | PASS |
| spack_foss-2022a_mpi_min | 5.412337245047638e-16 | -3.677613769070831e-15 | -3.677613769070831e-11 | PASS |
| spack_foss-2022a_serial | 1.765534574783862e-15 | -2.453312918791733e-15 | -2.453312918791733e-11 | PASS |
| spack_foss-2022a_serial_min | 1.765534574783862e-15 | -2.453312918791733e-15 | -2.453312918791733e-11 | PASS |
| spack_foss-2023a_mpi | 5.412337245047638e-16 | -3.677613769070831e-15 | -3.677613769070831e-11 | PASS |
| spack_foss-2023a_mpi_min | 5.412337245047638e-16 | -3.677613769070831e-15 | -3.677613769070831e-11 | PASS |
| spack_foss-2022a_cuda_serial | -3.278536937542555e-15 | -7.497384431118149e-15 | -7.497384431118149e-11 | PASS |
| spack_foss-2023a_serial | 1.765534574783862e-15 | -2.453312918791733e-15 | -2.453312918791733e-11 | PASS |
| spack_foss-2023a_mpi_opt | -4.996003610813204e-16 | -4.718447854656915e-15 | -4.718447854656915e-11 | PASS |
| spack_foss-2023a_serial_min | 1.765534574783862e-15 | -2.453312918791733e-15 | -2.453312918791733e-11 | PASS |
| spack_foss-2023a_mpi_omp | -9.200973316580985e-15 | -1.341982081015658e-14 | -1.341982081015658e-10 | PASS |
| spack_foss-2023a_serial_opt | -9.497502449948925e-15 | -1.371634994352452e-14 | -1.371634994352452e-10 | PASS |
| spack_foss-2023a_serial_omp | 1.929320187122522e-16 | -4.025915474863343e-15 | -4.025915474863343e-11 | PASS |
| spack_foss-2023b_serial | 1.765534574783862e-15 | -2.453312918791733e-15 | -2.453312918791733e-11 | PASS |
| spack_intel-2023a_serial | -4.027743660395876e-16 | -4.621621859615183e-15 | -4.621621859615182e-11 | PASS |
| spack_intel-2022a_serial_omp | -2.783803625057058e-15 | -7.002651118632653e-15 | -7.002651118632653e-11 | PASS |
| spack_intel-2023a_impi | 1.235123114895487e-15 | -2.983724378680108e-15 | -2.983724378680108e-11 | PASS |
| spack_intel-2023a_serial_omp | 1.880273534255941e-15 | -2.338573959319654e-15 | -2.338573959319654e-11 | PASS |
| spack_intel-2022a_impi_omp | -8.756884106730922e-15 | -1.297573160030652e-14 | -1.297573160030652e-10 | PASS |