Install mpi on mac
INSTALL MPI ON MAC CODE
Unpack the compressed tar.bz2 file by using the following command from within a Cygwin terminal: tar -xvf cp2k-2.6.2.tar.bz2Īfter the code has been extracted you will find it in the directory cp2k-2.6.2. Visit sourceforge CP2K project page and download cp2k-2.6.2.tar.bz2. To do this type:Ĭp myfile MD_course 0.2a CP2K Installation on Windows Now copy myfile to the MD_course directory using the cp command. In normal mode you can save and quit a file by typing :wq. Type i to go to insert mode, then insert some text. In this simple example, we will open a new file with vim, write some text, save and close this file. Other text editors, which may be simpler to use, are Atom (plus the line-ending-selector-unix plugin) or Notepad++. You can use any text editor, vim is one of them. You will need to edit input files throughout the course in order to run MD simulations with CP2K. # go up one directory pwd # print path to the current working directoryīelow you find a command that will open a file using a text editor called vim. Ls # get list of files in the current directory mkdir MD_course # make directory 'MD_course' cd # change into your home directory cd MD_course # change into directory 'MD_course' cd. Let's start with a list of useful commands that you need to use in the terminal environment – just type them into the command line and confirm with RETURN. If you have a Mac open the Apple terminal, whereas if you are running Windows, start Cygwin. Spend some time to become familiar with them.
Below there's a list of basic commands that you will need to use. Throughout this course you will need to use the terminal or command line.