qlm2001的个人博客分享 http://blog.sciencenet.cn/u/qlm2001

博文

vasp compilation

已有 4116 次阅读 2012-8-17 15:52 |系统分类:科研笔记| VASP, compilation

Platform:
Dell T7500 workstation;
vasp 4.638;
Ubuntu 12.04 (also ubuntu 11.04)

software for compilation: 
gcc;
gfortran(maybe necessary);
ifort & MKL (l_fcompxe_intel64_2011.9.293);
openmpi-1.60 for parallelization version

Procedures as follows
1. install ifort + mkl
2. make libintel64
3. install openmpi
4. make vasp.4.lib
5. make vasp
Please reference to attachment file for detailed procedures and Makefiles both for series and parallel version

compilaton process

series.zip;

parallelization.zip



https://blog.sciencenet.cn/blog-211012-603201.html

上一篇:XRD 数据转换成VASP POSCAR
下一篇:lev00 and TETR
收藏 IP: 131.112.104.*| 热度|

0

该博文允许注册用户评论 请点击登录 评论 (0 个评论)

数据加载中...

Archiver|手机版|科学网 ( 京ICP备07017567号-12 )

GMT+8, 2024-3-5 19:10

Powered by ScienceNet.cn

Copyright © 2007- 中国科学报社

返回顶部