Optimize AtomicNonlocal term for the GPU#1265
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abussy wants to merge 1 commit intoJuliaMolSim:masterfrom
Open
Optimize AtomicNonlocal term for the GPU#1265abussy wants to merge 1 commit intoJuliaMolSim:masterfrom
abussy wants to merge 1 commit intoJuliaMolSim:masterfrom
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This PR optimizes the
AtomicNonlocalterm instantiation and forces for the GPU. The same principles as #1163 and #1262 are applied. The largest performance impact is felt in stress and response calculations, when Duals are involved. However, since theAtomicNonlocalterm was never fully ported to the GPU, standard SCF and forces calculations are also accelerated.