I’ve gone Q&A available on the max-centre website and as per it, Siesta can use GPUs. However, I’m not able to find any documentation on installation. So can someone inform me of the procedure for installing Siesta on GPUs? Our systems have 8xV100 (32 GB each) with NVLink.

Ghadiyali Mohammed Kader
Post Doctoral Fellow
King Abdullah University of Science and Technology