| 查看: 1805 | 回复: 5 | ||
wuli8荣誉版主 (知名作家)
…………
|
[交流]
VASP with GPU support 已有5人参与
|
|
A new release of VASP, version 5.4.1.05Feb16, is available for download now (for all holders of a valid "VASP.5.2" license)! This release includes a port of VASP for GPU accelerated hardware! Several core algorithms of VASP have been ported to run on GPU accelerated hardware, e.g.: ◾Blocked-Davidson and RMM-DIIS ◾Hybrid functionals ◾Application of the real-space projection operators The GPU port of VASP only exists because of the excellent work of the following people: ◾Maxwell Hutchinson (University of Chicago) and Mike Widom (Carnegie Mellon). ◾Xavier Rozanska and Paul Fleurat-Lessard (ENS-Lyon). ◾Mohamed Hacene, Ani Anciaux-Sedrakian, Diego Klahr, and Thomas Guignon (IFPEN). ◾Jeroen Bedorf, Przemyslaw Tredak, Dusan Stosic, Arash Ashari, Paul Springer Darko Stosic, Christoph Angerer, and Sarah Tariq (NVIDIA). If you'd like to read up on this topic, have a look at: ◾Accelerating VASP Electronic Structure Calculations Using Graphic Processing Units, M. Hacene et al., J. Comput. Chem. 33, 2581 (2012). ◾VASP on a GPU: Application to exact-exchange calculations of the stability of elemental boron, M. Hutchinson and W. Widom, Comput. Phys. Comm. 183, 1422 (2012). ◾Speeding up plane-wave electronic-structure calculations using graphics-processing units, S. Mainz et al., Comput. Phys. Comm. 182, 1421 (2011). And check out the following: ◾The presentation by GPU developer, Max Hutchinson, at SC15. ◾GTC 2013 audio & video presentation on the development of GPU-accelerated VASP. ◾Dr. Peter Larsson's blog (National Supercomputer Centre at Linköping University, Sweden). http://www.vasp.at/index.php/new ... -1-with-gpu-support |
回复此楼
Ireson
2楼2016-02-10 10:13:24
zzy870720z
荣誉版主 (文坛精英)
- 1ST强帖: 3
- 应助: 47 (小学生)
- 贵宾: 9.05
- 金币: 30914.3
- 散金: 5613
- 红花: 68
- 沙发: 99
- 帖子: 12592
- 在线: 23567.6小时
- 虫号: 745488
- 注册: 2009-04-10
- 性别: GG
- 专业: 凝聚态物性I:结构、力学和
- 管辖: 分子模拟
3楼2016-02-10 12:13:09
virtualzx
木虫 (著名写手)
- 应助: 263 (大学生)
- 金币: 7161.3
- 红花: 54
- 帖子: 1605
- 在线: 317.6小时
- 虫号: 2069080
- 注册: 2012-10-18
- 性别: GG
- 专业: 理论和计算化学
4楼2016-02-11 14:10:59
ultraq
至尊木虫 (著名写手)
- 应助: 30 (小学生)
- 金币: 14971.9
- 散金: 2033
- 红花: 15
- 帖子: 2378
- 在线: 1050.9小时
- 虫号: 489270
- 注册: 2008-01-02
- 性别: GG
- 专业: 功能陶瓷
,不知道游戏显卡效果如何？5楼2016-02-15 15:28:17
6楼2016-02-24 23:46:09
5