GPUs and Cores
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- Newbie
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GPUs and Cores
How do I select GPU and NCORE such that I can improve the efficiency of my simulation? I have large simulation cell and vasp is not always complete.
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- Global Moderator
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- Joined: Fri Nov 08, 2019 7:18 am
Re: GPUs and Cores
NCORE cannot be combined with GPUs because they target the same level of parallelization (FFTs). You can combine the default band parallelization and k-point parallelization (KPAR) with GPUs. If that is still not enough, you can make use of OpenMP to speed up the parts not parallelized by the GPU.