| 查看: 481 | 回复: 2 | |||
| 【奖励】 本帖被评价2次，作者yalefield增加金币 2 个 | |||
| 当前主题已经存档。 | |||
[资源]
GPU新文献1篇
|
|||
|
J. Chem. Theory Comput. ASAP Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation Ivan S. Ufimtsev and Todd J. Martınez Department of Chemistry and The Beckman Institute, 600 S. Mathews, UniVersity of Illinois, Urbana, Illinois 61801 Received October 13, 2007 Abstract: Modern videogames place increasing demands on the computational and graphical hardware, leading to novel architectures that have great potential in the context of high performance computing and molecular simulation. We demonstrate that Graphical Processing Units (GPUs) can be used very efficiently to calculate two-electron repulsion integrals over Gaussian basis functionssthe first step in most quantum chemistry calculations. A benchmark test performed for the evaluation of approximately 106 (ssjss) integrals over contracted s-orbitals showed that a naıve algorithm implemented on the GPU achieves up to 130-fold speedup over a traditional CPU implementation on an AMD Opteron. Subsequent calculations of the Coulomb operator for a 256-atom DNA strand show that the GPU advantage is maintained for basis sets including higher angular momentum functions. ------------------ 参考：谈谈GPU吧 http://www.muchong.com/bbs/viewthread.php?tid=672463 [ Last edited by yalefield on 2008-1-26 at 15:32 ] |
回复此楼» 猜你喜欢
深圳大学2026年秋博士招生-物理学-活性胶体方向-高永祥课题组
已经有18人回复
-
论物质与能量的统一模型及物理现象解释
已经有0人回复
-
物理学I论文润色/翻译怎么收费?
已经有137人回复
-
基于基元I统一理论的数学相关应用推导
已经有0人回复
-
基元I统一理论：宇宙本质、层级演化与修炼文明的本源规律
已经有1人回复
-
基元I理论下三大核心空间现象精准推导与细节解析
已经有0人回复
-
基于基元 I 统一理论的反重力理论推导
已经有0人回复
-
基于基元I统一理论的量子力学本源推导
已经有1人回复
-
推荐一款可以AI辅助写作的Latex编辑器SmartLatexEditor，超级好用，AI润色，全免费
已经有20人回复
-
【EI|Scopus 双检索】第六届智能机器人系统国际会议（ISoIRS 2026）
已经有0人回复
-
2026年第四届电动车与车辆工程国际会议（CEVVE 2026）
已经有0人回复