exercises:2017_uzh_acpc2:login
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| exercises:2017_uzh_acpc2:login [2017/03/29 14:58] – created jglan | exercises:2017_uzh_acpc2:login [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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| In this exercise you will learn how to login and run commands on our infrastructure. | In this exercise you will learn how to login and run commands on our infrastructure. | ||
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| + | |||
| ===== Part I: Login ===== | ===== Part I: Login ===== | ||
| Line 31: | Line 33: | ||
| </ | </ | ||
| </ | </ | ||
| + | |||
| + | |||
| + | <note important> | ||
| + | < | ||
| + | $ ssh -X username@tcopt3.chem.uzh.ch | ||
| + | </ | ||
| + | </ | ||
| + | |||
| + | |||
| + | ===== The bash terminal===== | ||
| + | |||
| + | Many tasks in the following weeks will need to be performed on the terminal (or ' | ||
| + | |||
| + | <note tip> | ||
| + | If you use Mac OS X: | ||
| + | In order to keep the terminal in the dock also after you close it, right click on the symbol and select ' | ||
| + | </ | ||
| + | |||
| + | |||
| + | Let's start with a list of useful commands -- just type them into the command line and confirm with '' | ||
| + | <code bash> | ||
| + | ls # get list of files in the current directory | ||
| + | mkdir molsim | ||
| + | cd # change into your home directory | ||
| + | cd molsim | ||
| + | cd .. # go up one directory | ||
| + | pwd # print path to the current working directory | ||
| + | |||
| + | </ | ||
| + | |||
| + | Now it is time to copy some files from the teacher account. | ||
| + | |||
| + | <code bash> | ||
| + | |||
| + | cp ~student10/ | ||
| + | scp your_username@remotehost.edu: | ||
| + | scp foobar.txt your_username@remotehost.edu:/ | ||
| + | </ | ||
| + | |||
| + | After this, please close and reopen your terminal in order to activate the course-specific | ||
| + | settings you copied. | ||
| + | |||
| + | We are now ready to get started. Below you find some additional commands that will come in handy later. | ||
| + | |||
| + | <code bash> | ||
| + | vim myfile | ||
| + | vi myfile | ||
| + | </ | ||
| + | |||
| ===== Part II: Loading and running a program ===== | ===== Part II: Loading and running a program ===== | ||
| Line 101: | Line 152: | ||
| --xml : dumps the whole CP2K input structure as a XML file | --xml : dumps the whole CP2K input structure as a XML file | ||
| xml2htm generates a HTML manual from this XML file | xml2htm generates a HTML manual from this XML file | ||
| + | </ | ||
| + | |||
| + | Now you can run cp2k using: | ||
| + | < | ||
| + | $ cp2k.sopt -i cp2k.inp -o cp2k.out & | ||
| </ | </ | ||
exercises/2017_uzh_acpc2/login.1490799538.txt.gz · Last modified: (external edit)
