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ECP-copa / CabanaMD

Molecular dynamics proxy application based on Cabana
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Variable vector length per atom property #95

Closed streeve closed 3 years ago

streeve commented 3 years ago

Enable different vector length per property (including NNP). Previously even with split properties the same vector length was used.

This also sets number of AoSoA at compile time rather than run time to reduce complexity - once layout has been optimized for a problem (which must be recompiled to modify vector length anyway) there isn't a good reason to run with separate number of AoSoA