Gpu-Accelerated Quantum Espresso

Massimiliano Fatica; Josh Romero; Everett Phillips; Filippo Spiga;

<p>This is first production version of QE-GPU, not all packages and functionalities are fully supported. At present, only PWscf k-point calculations are GPU accelerated. This version is based on the QE v6.1 codebase. Please refer to for additional information.... View more
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