Match comparison for X Force Atom 1 [step 20] (match type 24692)
Commits >
Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 >
Input 22-td_move_ions_periodic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.668028015450075e+00 | 4.670000000000000e-14 | -4.668028015450063e+00 | 1.516660794470320e-14 | -4.668028015450076e+00 | 3.019806626980426e-14 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -4.668028015450075, precision: 0.0000000000000467| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -4.668028015450054e+00 | 2.042810365310288e-14 | 4.374326264047726e-01 | PASS |
| spack_foss-2022a_ppc | -4.668028015450045e+00 | 2.930988785010413e-14 | 6.276207248416302e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.668028015450054e+00 | 2.042810365310288e-14 | 4.374326264047726e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.668028015450060e+00 | 1.509903313490213e-14 | 3.233197673426580e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.668028015450057e+00 | 1.776356839400250e-14 | 3.803761968737153e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.668028015450057e+00 | 1.776356839400250e-14 | 3.803761968737153e-01 | PASS |
| spack_foss-2022a_mpi | -4.668028015450057e+00 | 1.776356839400250e-14 | 3.803761968737153e-01 | PASS |
| spack_foss-2022a_serial | -4.668028015450054e+00 | 2.042810365310288e-14 | 4.374326264047726e-01 | PASS |
| spack_foss-2022a_serial_min | -4.668028015450054e+00 | 2.042810365310288e-14 | 4.374326264047726e-01 | PASS |
| spack_foss-2023a_mpi | -4.668028015450057e+00 | 1.776356839400250e-14 | 3.803761968737153e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.668028015450057e+00 | 1.776356839400250e-14 | 3.803761968737153e-01 | PASS |
| spack_foss-2023a_serial_min | -4.668028015450054e+00 | 2.042810365310288e-14 | 4.374326264047726e-01 | PASS |
| spack_foss-2023a_serial | -4.668028015450054e+00 | 2.042810365310288e-14 | 4.374326264047726e-01 | PASS |
| spack_foss-2023a_mpi_opt | -4.668028015450057e+00 | 1.776356839400250e-14 | 3.803761968737153e-01 | PASS |
| spack_foss-2023a_mpi_debug | -4.668028015450057e+00 | 1.776356839400250e-14 | 3.803761968737153e-01 | PASS |
| spack_foss-2023a_serial_opt | -4.668028015450054e+00 | 2.042810365310288e-14 | 4.374326264047726e-01 | PASS |
| spack_foss-2023b_serial | -4.668028015450054e+00 | 2.042810365310288e-14 | 4.374326264047726e-01 | PASS |
| spack_foss-2023a_serial_debug | -4.668028015450054e+00 | 2.042810365310288e-14 | 4.374326264047726e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.668028015450068e+00 | 6.217248937900877e-15 | 1.331316689058004e-01 | PASS |
| spack_intel-2022a_serial_omp | -4.668028015450106e+00 | -3.108624468950438e-14 | -6.656583445290017e-01 | PASS |
| spack_foss-2023a_mpi_omp | -4.668028015450068e+00 | 6.217248937900877e-15 | 1.331316689058004e-01 | PASS |
| spack_intel-2023a_serial | -4.668028015450068e+00 | 6.217248937900877e-15 | 1.331316689058004e-01 | PASS |
| spack_intel-2023a_impi | -4.668028015450052e+00 | 2.309263891220326e-14 | 4.944890559358299e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -4.668028015450077e+00 | -2.664535259100376e-15 | -5.705642953105729e-02 | PASS |
| spack_intel-2023a_serial_omp | -4.668028015450106e+00 | -3.108624468950438e-14 | -6.656583445290017e-01 | PASS |
| spack_intel-2022a_impi_omp | -4.668028015450091e+00 | -1.687538997430238e-14 | -3.613573870300296e-01 | PASS |
| spack_foss-2022a_cuda_serial | -4.668028015450057e+00 | 1.776356839400250e-14 | 3.803761968737153e-01 | PASS |