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UID:submissions.supercomputing.org_SC24_sess748_ws_pmbsf128@linklings.com
SUMMARY:Impact of Varying BLAS Precision on DCMESH
DESCRIPTION:Nariman Piroozan and John Pennycook (Intel Corporation), Taufe
 q Razakh (University of Southern California (USC)), Peter Caday and Nalini
  Kumar (Intel Corporation), and Aiichiro Nakano (University of Southern Ca
 lifornia (USC))\n\nThe limiting factor in the application of high-accuracy
  quantum molecular simulations to large systems has been the associated hi
 gh computational costs in terms of both compute power and memory. In this 
 paper we explore the use of various BLAS precision modes (BF16, TF32, and 
 Complex_3M) in DCMESH, a framework utilized for the study of light-matter 
 interaction. On a single stack of the Intel Data Center GPU Max Series 155
 0, we are able to achieve a speedup of 1.35x while retaining accuracy in k
 ey output parameters such as the number of excited electrons, current dens
 ity, and kinetic energy. For large problem sizes, we observe speed-ups of 
 up to 3.91x for individual BLAS calls. Switching between BLAS precision mo
 des requires no source code changes (only environment variables), and so t
 he approach we demonstrate could be readily applied to other high performa
 nce computing (HPC) workloads that spend significant time in BLAS calls.\n
 \nTag: Accelerators, Modeling and Simulation, Performance Evaluation and/o
 r Optimization Tools\n\nRegistration Category: Workshop Reg Pass\n\nSessio
 n Chairs: Simon Hammond (National Nuclear Security Administration (NNSA));
  Sascha Hunold (Technical University of Vienna); and Steven A. Wright (Uni
 versity of York, England)\n\n
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