IMPROVING THE PERFORMANCE OF A SIMULATOR OF NANOSCALE MEASUREMENTS OF MATERIAL PROPERTIES
We developed a simulator of nanoscale measurements of material properties based on BSDF (Boundary-matching Scattering-state Density Functional) method to facilitate the correct interpretation of experimental data. The performance of the simulator has been improved dramatically by utilizing IPs (Instruction Processors) within each node as MPI nodes on Hitach SR8000 Fl model. After applying communicator partition, hybrid load balancing, and other tunings, the parallelization efficiency of 128 IPs reaches 60％. As for single IP optimization, the performance in each node has been improved from 2.8 to 3.3 GFLOPS even for models using small number of reciprocal vectors.
YINGWEN SONG SATOSHI WATANABE
CREST, Japan Science & Technology Agency and The University of Tokyo7-3-1 Hongo, Bunkyo-ku, Tokyo 11 Department of Materials Engineering, The University of Tokyo and CREST, JST7-3-1 Hongo, Bunkyo-ku, T
国际会议
The Joint Conference of ICCP6 and CCP2003(第6届国际计算伦理会议)
北京
英文
150-153
2004-05-23（万方平台首次上网日期，不代表论文的发表时间）