Useful Linux Commands

ls show contents in the directory

cd go to the directory (You can use Tab key for auto completion).

cd ../ to go to the previous level

cat show the contents of the file

vi open vi text editor to view / edit the file

press 'a' to enter edit mode

press Esc, then :q to quit, or :x to save and quit

tail show the last 10 lines of a file.

-f update your file in real time, press Ctrl+C to quit the mode

grep grep lines containing the key words from the files.

grep FINAL Opt.out to track the process of your geometry optimization

mkdir make a new directory

pwd to show the current path

cp copy the file, from source to target.

add -r to work on directories

use wild cards (* and ?) to manipulate multiple file at once.

mv move the file, or change the file name

To start an ORCA job, go to the working directory containing your input file (.inp), then do

$ orca [ ].inp > [ ].out &

You can also suspend your job by Ctrl+Z, and type

$ bg

to put it to background.

To manage your jobs, do

$ jobs -l

to get your job ID, and kill it by

$ kill -9 [job ID]