CodeUniverse · package
Phonopy
many-entry force-constant gradient of a scalar dynamical-matrix objective
AD speed-up on the same differentiation workload (against finite differences) Speed-up: 136.7×
High-dimensional demo
many-entry force-constant gradient of a scalar dynamical-matrix objective
Supplied demo scenario wording.
FD components requested 1 – 256 · AD components 576
View demo measurements
| Measure | Value |
|---|---|
| AD median (s) | 0.0019627090077847242 |
| FD median (s) | 0.26821454195305705 |
| FD / AD | 136.65527640074683 |
| Max scaled error | 2.8685040454057287e-13 |
| AD components | 576 |
| FD components requested | 256 |
| AD parameters | 256 |
| Repeats | 9 |
| FD components requested | AD median (s) | FD median (s) | FD / AD | Max scaled error | AD components |
|---|---|---|---|---|---|
| 1 | 576 | 0.001862916979007423 | 0.0010132919996976852 | 0.5439276205628741 | 1.0043355036515322e-13 |
| 2 | 576 | 0.001777583034709096 | 0.002093041897751391 | 1.1774650505110835 | 1.0043355036515322e-13 |
| 4 | 576 | 0.0018138750456273556 | 0.004122333019040525 | 2.2726664821692584 | 1.0043355036515322e-13 |
| 8 | 576 | 0.0018142920453101397 | 0.008255333988927305 | 4.550168210386502 | 1.0043355036515322e-13 |
| 16 | 576 | 0.0018570419633761048 | 0.016360207926481962 | 8.809821344445595 | 2.8685040454057287e-13 |
| 32 | 576 | 0.0018080410081893206 | 0.03286437503993511 | 18.176786306881084 | 2.8685040454057287e-13 |
| 64 | 576 | 0.0018237079493701458 | 0.06662729207891971 | 36.5339703113817 | 2.8685040454057287e-13 |
| 128 | 576 | 0.001806124928407371 | 0.13280049990862608 | 73.52785946303763 | 2.8685040454057287e-13 |
| 256 | 576 | 0.0019627090077847242 | 0.26821454195305705 | 136.65527640074683 | 2.8685040454057287e-13 |