Jove Matrix Performance

Researcher

• Benjamin Thomitzni, PhD Student in the Theoretical and Computational Chemistry Group of Prof. Dr. Andreas Dreuw

Initial problem

• Matrix multiplication code has poor single core performance, also doesn't scale beyond 4 threads.

What we did

• Change data layout and re-order loops to avoid cache misses
• Use a specialized linear algebra library to generate optimized code
• Add thread-safe and performant parallelism using OpenMP
• See https://github.com/ssciwr/jove-performance for more details

Result

• Code runs more than 4x faster on a single core
• Near perfect scaling up to 12 cores on a 12-core/24-thread CPU