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vasp compilation

已有 4604 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



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