Dear users, we have installed a new software CP2K 8.2 with GPU support.
We compiled two version: one for CUDA compute capability 8.2 and upper
CP2K/8.2compute-8.6
and a version compatible with CUDA compute capability 6.0 and upper
CP2K/8.2
I’m not sure about the performance loss/gain. If you have some expectations and feedback, feel free to answer to this post.
Best