Match comparison for X Coordinate Atom 1 [step 20] (match type 24688)
Commits >
Commit 22a7b3628f7ddff53691f80b422d9224cf7a2498 >
Input 22-td_move_ions_periodic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.206882892344866e-01 | 2.080000000000000e-14 | -3.206882892344677e-01 | 0.000000000000000e+00 | -3.206882892344677e-01 | 0.000000000000000e+00 | PASS |
Checks for this match
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Detailed information
Reference: -0.3206882892344866, precision: 0.0000000000000208| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_foss-2022a_serial_min | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_foss-2022a_serial | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_foss-2023b_serial | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_foss-2023a_serial | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_foss-2022a_ppc | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_foss-2022a_mpi | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_foss-2023a_mpi | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_intel-2023a_serial | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_intel-2023a_impi | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.206882892344677e-01 | 1.887379141862766e-14 | 9.073938182032529e-01 | PASS |