Exploiting OpenMP and OpenACC to accelerate a geometric approach to molecular docking in heterogeneous HPC nodes

E. Vitali, D. Gadioli, G. Palermo, A. Beccari, C. Cavazzoni, C. Silvano
January 2019
Cite DOI URL
Type
Journal article
Publication
THE JOURNAL OF SUPERCOMPUTING
CPU; GPU; High-Performance Computing; Molecular Docking; OpenACC; OpenMP