Intel® Parallel Computing Center at Lomonosov Moscow State University

已发布:10/28/2014   最后更新时间:12/04/2018

Lomonosov Moscow State University

Principal Investigator:

Dr. Vladimir Mironov

Dr. Vladimir Mironov graduated in 2009. In 2013 he earned his Ph.D. degree from the Lomonosov Moscow State University and continued his research at the Department of Chemistry. His scientific interests are focused on computational biology and computer simulations of large molecular systems.

Description:

The aim of this project is to demonstrate potential of the Intel® Xeon Phi™ coprocessor technology for solving quantum chemistry problems, using one of oldest and popular open-source quantum chemistry GAMESS software. Performance-critical sections of GAMESS code would be revised and rewritten to improve the performance and scalability on the modern parallel architectures such as Intel® Xeon Phi™ coprocessor. During the course of the project we focus mostly on Hartree-Fock (HF) and density functional theory (DFT) methods. Next, parallelization strategies of fragment molecular orbitals (FMO) methods will be studied to maximize performance on this method on the Intel Xeon Phi coprocessor.

Publications:

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产品和性能信息

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英特尔的编译器针对非英特尔微处理器的优化程度可能与英特尔微处理器相同(或不同)。这些优化包括 SSE2、SSE3 和 SSSE3 指令集和其他优化。对于在非英特尔制造的微处理器上进行的优化,英特尔不对相应的可用性、功能或有效性提供担保。该产品中依赖于微处理器的优化仅适用于英特尔微处理器。某些非特定于英特尔微架构的优化保留用于英特尔微处理器。关于此通知涵盖的特定指令集的更多信息,请参阅适用产品的用户指南和参考指南。

通知版本 #20110804