A multi-GPU QSGW implementation in ecalj reaches over ten times speedup on one GPU node versus four CPU nodes, and a mixed-precision mode triples that speed with meV-level accuracy changes.
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Efficient implementation of the quasiparticle self-consistent $GW$ method on GPU
A multi-GPU QSGW implementation in ecalj reaches over ten times speedup on one GPU node versus four CPU nodes, and a mixed-precision mode triples that speed with meV-level accuracy changes.