Summarize, prepare figures and tables showing the differences between multiple training runs on identical data. Possibly test on as many hardware as possible. So far we covered A100 and V100 (Tesla V, same GPU) but try GH200 and repeat Ada tests on A100 and Mi250X if possible.
table giving the difference between the dft forces and the predicted data
table giving the difference between two different trainings (it is the quantity we are interested in)
Summarize, prepare figures and tables showing the differences between multiple training runs on identical data. Possibly test on as many hardware as possible. So far we covered A100 and V100 (Tesla V, same GPU) but try GH200 and repeat Ada tests on A100 and Mi250X if possible.