Input 30-stress.05-output_scf.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 1.115816370000000e-03 | 7.884963360000000e-04 | 8.930000000000000e-04 | 3.273200339999999e-04 | PASS |
| Pressure (GPa) | 3.282846311000000e+01 | 2.319837160000000e+01 | 2.630000000000000e+01 | 9.630091510000000e+00 | PASS |
| Stress (xx) | -1.115825104000000e-03 | -7.887080519300001e-04 | 8.930000000000000e-04 | -3.271170520699999e-04 | PASS |
| Stress (yy) | -1.115823131000000e-03 | -7.883179817000000e-04 | 8.930000000000000e-04 | -3.275051493000001e-04 | PASS |
| Stress (zz) | -1.115800889000000e-03 | -7.884629791150000e-04 | 8.930000000000000e-04 | -3.273379098850001e-04 | PASS |
| Stress (xy) | -1.574274801000000e-09 | 3.941517790000000e-07 | 3.250000000000000e-06 | -3.957260538010000e-07 | PASS |
| Stress (yx) | -1.574274801000000e-09 | 3.941517790000000e-07 | 3.250000000000000e-06 | -3.957260538010000e-07 | PASS |
| Stress (yz) | -1.396259629000000e-11 | -5.416216727000000e-06 | 6.550000000000000e-06 | 5.416202764403711e-06 | PASS |
| Stress (zy) | -1.396259600000000e-11 | -5.416216727000000e-06 | 6.550000000000000e-06 | 5.416202764404000e-06 | PASS |
| Stress (zx) | 2.692229519000000e-10 | -9.474674102000000e-07 | 1.040000000000000e-06 | 9.477366331519001e-07 | PASS |
| Stress (xz) | 2.692229519000000e-10 | -9.474674102000000e-07 | 1.040000000000000e-06 | 9.477366331519001e-07 | PASS |