| 查看: 486 | 回复: 0 | |||
[交流]
Installing VASP.5.X.X.
|
|
Build system The build system of VASP (as of versions >= 5.4.1) has the following structure: vasp.X.X.X (root directory) | --------------------------------------- | | | | arch bin build src | --------------- | | | lib parser CUDA root/ Holds the high-level makefile, and several subdirectories. root/src Holds the source files of VASP, and a low-level makefile. root/src/lib Holds the source of the VASP library (used to be vasp.X.lib), and a low-level makefile. root/src/parser Holds the source of the LOCPROJ parser (as of versions >= 5.4.4), and a low-level makefile. root/src/CUDA Holds the source of the cuda-code that will be executed on the GPU by the CUDA-C GPU port of VASP. root/arch Holds a collection of makefile.include.arch files. root/build The different versions of VASP, i.e., the standard, gamma-only, non-collinear version will be build in separate subdirectories of this directory. root/bin Here make will store the binaries. How to make VASP Copy one of the makefile.include.arch files in root/arch to root/makefile.include. Take one that most closely reflects your system (hopefully). For instance, on a linux box with the Intel Composer suite: cp arch/makefile.include.linux_intel ./makefile.include In many cases these makefile.include files will have to be adapted to the particulars of your system (see below). When you've finished setting up makefile.include, build VASP: make all This will build the standard, gamma-only, and non-collinear version of VASP one after the other. Alternatively on may build these versions individually: make std make gam make ncl To compile the CUDA-C GPU port of VASP: cp arch/makefile.include.linux_intel_cuda ./makefile.include and adapt it to the particulars of your system (see below), followed by: make gpu make gpu_ncl to built the GPU ports of the standard and non-collinear versions, respectively. |
回复此楼» 猜你喜欢
重庆交大26年硕士生招生拟调剂通知已出！欢迎加入光子学微结构与器件课题组。
已经有0人回复
-
UJN物理学专业调剂
已经有12人回复
-
物理学I论文润色/翻译怎么收费?
已经有255人回复
-
0702一志愿吉大B区求调剂 本科期间发表一篇Sci
已经有0人回复
-
北京纳米能源与系统研究所王中林院士/曹南颖研究员课题组招收2026硕士研究生1名
已经有0人回复
-
山西大同大学物理学硕士研究生招收调剂生
已经有0人回复
-
[调剂信息]211智能人工感知方向国家青年特聘专家课题组招收调剂研究生
已经有0人回复
-
［调剂信息］211智能人工感知方向国家青年特聘专家课题组招收调剂研究生
已经有0人回复
-
[调剂信息]211智能人工感知方向国家青年特聘专家课题组招收调剂研究生
已经有0人回复
-
一志愿物理所凝聚态物理352求调剂
已经有0人回复
120
