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Improving VASP Materials Simulation Performance

16 Apr 2020CPOL8 min read 11.6K  
Using the Latest Intel® Software Development Tools to Make More Efficient Use of Hardware
Using APS, we ind that MPI_Allreduce is a performance “hotspot” in the application. With the new Intel MPI Library 2019 Technical Preview and Intel OPA, we are able to more efficiently utilize the system hardware to speedup MPI_Allreduce and improve the overall application.

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This article, along with any associated source code and files, is licensed under The Code Project Open License (CPOL)


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