RELION – Performance Benchmark and Profiling

What is RELION?

RELION (REgularized LIkelihood OptimizatioN) is an open-source program for the refinement of macromolecular structures by single-particle analysis of electron cryomicroscopy (cryo-EM) data

RELION (REgularized LIkelihood OptimizatioN) implements an empirical Bayesian approach for analysis of electron cryo-microscopy (Cryo-EM)

RELION provides refinement methods of singular or multiple 3D reconstructions as well as 2D class averages

RELION is an important tool in the study of living cells

HPC-AI Advisory Council

Performance Analysis Summary

(from Article See RELION – Performance Benchmark and Profiling)

RELION performance testing

  • Pool size 4,8,16 gave best performance on 16,24,32 nodes
  • SHARP In-Network Computing reduces MPI time by 13% and increase overall application performance by 5
  • Performance advantages increases with system size, up to 32 nodes were tested

RELION Profile

  • Rank #0 does not perform computation
  • Mostly MPI_Barrier (70%)
  • Ring communication matrix

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