Input 05-time_propagation.05-td_md.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -3.791009280177395e+01 | -3.791009280177000e+01 | 1.900000000000000e-10 | -3.950617610826157e-12 | PASS |
| Energy [step 5] | -3.791008856892505e+01 | -3.791008856893000e+01 | 1.900000000000000e-10 | 4.945377440890297e-12 | PASS |
| Energy [step 10] | -3.791001520298097e+01 | -3.791001520298000e+01 | 1.900000000000000e-10 | -9.734435479913373e-13 | PASS |