[nbnxm] replace managed memory with explicit host/device staging - #327
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zjin-lcf wants to merge 1 commit into
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[nbnxm] replace managed memory with explicit host/device staging #327zjin-lcf wants to merge 1 commit into
zjin-lcf wants to merge 1 commit into
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…L#326); update the synthetic input generator to execute the pairwise force loop; add correctness reference: walidation uses a combined absolute+relative tolerance rather than exact equality, since GPU atomic/shuffle reduction order is not bit-reproducible against a serial CPU sum under IEEE-754 float arithmetic; observed reordering noise reaches ~1e-4 relative error
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replace managed memory with explicit host/device staging; update the synthetic input generator to execute the pairwise force loop; add correctness reference: walidation uses a combined absolute+relative tolerance rather than exact equality, since GPU atomic/shuffle reduction order is not bit-reproducible against a serial CPU sum under IEEE-754 float arithmetic; observed reordering noise reaches ~1e-4 relative error
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