[Kokkos] inconsistency in rmass across pair/fix/compute

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1

Hi all,

I noticed that sometimes rmass is just treated as a double* and sometimes as a AT::t_float_1d_randomread.

When treated as double* it takes the content of atomKK->rmass which is a pointer to host data. In FixNVEKokkos it stores rmass as double* but uses it inside a functor (FixNVEKokkosInitialIntegrateFunctor calling initial_integrate_rmass_item) which is dispatched by parallel_for.

Will the device kernel automagically copy the content to device memory?

Regards,

Denis

2

This is a Q for Stan (CCd)

Steve

3

I’ve noticed this too, but never investigated. I will take a look.

Thanks,

Stan