这可以通过修改你的shell配置文件(如.bashrc或.bash_profile)来实现。例如,如果vaspkit安装在/home/user/vasp/bin目录下,你可以在你的.bashrc文件中添加以下行: bash export PATH="/home/user/vasp/bin:$PATH" 添加后,你需要重新加载配置文件或重新启动shell以使更改生效。这可以通过source ~/.bashrc命令来实现。
故在使用最新版的oneapi编译vasp时会出现报错 icc Command not found 如果在makefile里将icc更改为icx后,可能还会提示找不到icpc,可在makefile里将icpc更改为icpx,即可继续编译安装, 所生成的vasp可正常使用。
故在使用最新版的oneapi编译vasp时会出现报错 icc Command not found 如果在makefile里将icc更改为icx后,可能还会提示找不到icpc,可在makefile里将icpc更改为icpx,即可继续编译安装, 所生成的vasp可正常使用。
就是把vasp路径加入bashrc中,然后source的时候出现 mywai520 3楼: Originally posted by wanglianli136 at 2014-05-16 10:07:50 就是把vasp路径加入bashrc中,然后source的时候出现... vasp你直接放到你的用户下的bin目录下即可运行, wanglianli136 4楼: Originally posted by mywai520 at 2014-05-16 14:...
bash:command not found 如果新装的系统,运行一些很正常的诸如:shutdown,fdisk的命令时,悍然提示:bash:command not found。那么 首先就要考虑root 的$PATH里是否已经包含了这些环境变量。 主要是这四个:/bin ,/usr/bin,/sbin,/usr/sbin。 四个主要存放的东东:...
安装完phonopy之后，执行phonopy一直就提示phonopy: command not found是怎么回事？？？
sudo: /Applications/Install macOS Mojave.app/Contents/Resources/createinstallmedia: command not found网上查了也没搞懂怎么弄哪位大师帮忙说下这个怎么解决?谢谢 分享42 vasp吧 我是好人ldh vasp报错有没有大佬知道是怎么回事Sender: jhscheduler System <jhadmin@node03> Subject: Job 2580: <Ni-N4> Done Job...
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然后我参照qlyfe的帖子在WSL下的Ubuntu 22.04中安装VASP 6.3.2与CP2K v2022.2,输入sudo apt install build-essential gfortran libopenblas-dev libopenmpi-dev libscalapack-openmpi-dev libfftw3-dev libhdf5-openmpi-dev, 将后面三个库删掉,然后照着后面坐,复制makefile.include.gnu_omp,修改,编译,出现gfortran:...
vasputil 5.x does not contain the supercell generator previously found in vasputil 4.x. To create supercells, the ASE supercell generator is recommended. This contains functionality to create surface supercells as well. In order to generate a supercell for VASP, first create the supercell follow...