Swiss National Supercomputing Centre

CSCS is developing libraries such as DBCSR, COSMA, SpFFT and SIRIUS that will help the scientific community in porting scientific codes to GPUs and fully utilize all available supercomputer resources such as local memory, network bandwidth. The unprecedented power of contemporary accelerators on machines with tens of thousands of compute nodes, optimizations on all levels (from algorithmic to implementation) is necessary. The DBCSR library is available a standalone, easy to use and install, and actively developed in Github and well documented by Shoshana and the Scientific Software and Libraries (SSL) Unit at the CSCS. Also, DBCSR delivers automatically with any CP2K installation, so if you're running CP2K, you're also running DBCSR. DBCSR is a library designed to efficiently perform sparse matrix-matrix multiplication, among other operations. It is MPI and OpenMP parallel and can exploit Nvidia and AMD GPUs via CUDA and HIP. The library is open-source (GPL v2.0) and is freely available.