[INSTALL] VASP
VASP은 Wiki에 설치 방법이 잘 설명되어 있다.
arch 디렉터리에 있는 makefile.include_sample 을 makefile.include 로 복사해서 make를 하면 된다.
호환이 되는 컴파일러, MPI 샘플 파일이 있으니 시스템에 맞는 파일을 찾아 빌드.
참고 웹페이지 :
VASP 6버전 설치 가이드
https://www.vasp.at/wiki/index.php/Installing_VASP.6.X.X
Installing VASP.6.X.X - VASP Wiki
As a license holder, you can download the source code of VASP from the VASP Portal. If your system fulfills the requirements, you can install VASP.6.X.X by following the steps below. There is a separate guide to installing VASP.5.X.X. Requirements For the
www.vasp.at
VASP 5버전 설치 가이드
https://www.vasp.at/wiki/index.php/Installing_VASP.5.X.X
Installing VASP.5.X.X - VASP Wiki
Requirements For the compilation of the parallel version of VASP the following software is mandatory: Fortran and C compilers. An implementation of MPI (Message Passing Interface). Numerical libraries like BLAS, LAPACK, ScaLAPACK, and FFTW. Build system Th
www.vasp.at
Makefile.include
https://www.vasp.at/wiki/index.php/Makefile.include
makefile.include - VASP Wiki
Writing a makefile.include file from scratch is not easy, so we suggest taking one of archetypical files that closely resembles your system as a starting point. It is necessary to customize it anyways to set appropriate paths etc. Optionally, you can enabl
www.vasp.at
'Linux > Installation' 카테고리의 다른 글
[INSTALL] LAMMPS (cmake) (0) | 2024.08.09 |
---|---|
[INSTALL] Miniconda 설치 (0) | 2024.08.09 |
[INSTALL] OpenMPI (w/ PBS, CUDA) (0) | 2024.08.04 |
[INSTALL] fltk-1.3.7 (0) | 2024.08.02 |
[INSTALL] GROMACS 2023.3 (GPU) (0) | 2024.07.31 |
댓글
이 글 공유하기
다른 글
-
[INSTALL] LAMMPS (cmake)
[INSTALL] LAMMPS (cmake)
2024.08.09 -
[INSTALL] Miniconda 설치
[INSTALL] Miniconda 설치
2024.08.09 -
[INSTALL] OpenMPI (w/ PBS, CUDA)
[INSTALL] OpenMPI (w/ PBS, CUDA)
2024.08.04 -
[INSTALL] fltk-1.3.7
[INSTALL] fltk-1.3.7
2024.08.02