Title: Performance Evaluation of Large Scale Electron Dynamics Simulation under Many-core Cluster based on Knights Landing
Abstract: We have been developing an advanced scientific code called "ARTED" for an electron dynamics simulation using the first-order computation of materials to be ported to various large-scale parallel systems including the "K" Computer, which was previously Japan's fastest supercomputer. In this paper, the implementation and performance evaluation of the ARTED code used in Intel's latest many-core processor, the Knights Landing (KNL) stand-alone cluster, are described based on past research on porting the code to the Knights Corner (KNC) accelerator. Our target system is Oakforest-PACS, which is currently the fastest supercomputer in Japan. For performance tuning on KNL, the largest issue is how to utilize multiple levels of parallelism, such as the instruction level (512-bit SIMD instruction), hardware thread (4 threads/core), and large number of cores. We focus on the dominant computation part of the code, where 25 points of a 3D stencil computation are required.