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 ===== | ||
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</ | </ | ||
</ | </ | ||
+ | |||
+ | |||
+ | <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 ===== | ||
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--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: 2020/08/21 10:15 (external edit)