Input 12-absorption.01-gs.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Initial energy | -5.816213230000000e+00 | -5.816213230000001e+00 | 2.910000000000000e-07 | 8.881784197001252e-16 | PASS |
| IO Profiling files open | 4.900000000000000e+01 | 4.900000000000000e+01 | 1.001000000000000e+00 | 0.000000000000000e+00 | PASS |
| IO Profiling files close | 5.000000000000000e+01 | 5.000000000000000e+01 | 1.001000000000000e+00 | 0.000000000000000e+00 | PASS |