Accelerating Molecular Modeling with oneAPI and Intel® FPGA Accelerators
Accelerating Molecular Modeling with oneAPI and Intel® FPGA Accelerators
1 PagesThe Institute for Advanced Chemistry of Catalonia (CSIC) sought to improve molecular modeling, which requires intensive computation during the verification phase. Collaborating with the Barcelona Supercomputing Center (BSC), they identified FPGAs as ideal for accelerating their algorithm. BSC partnered with Intel Titanium partner BittWare to implement the IA-840f card featuring Intel Agilex® 7 FPGA. Using the Intel® oneAPI Base Toolkit, they achieved remarkable performance gains—executing the algorithm in 61 seconds and 41 seconds for the optimized version, yielding up to a 233x improvement over a CPU and 13x over earlier FPGA solutions.
