exercises:2016_uzh_cmest:login
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exercises:2016_uzh_cmest:first_simulation_run [2016/09/21 10:49] – [Module loading] tmueller | exercises:2016_uzh_cmest:login [2016/09/22 09:08] – [Make module loading persistent] tmueller | ||
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- | ====== | + | ====== |
- | In this exercise you will learn how to run your first calculation. | + | In this exercise you will learn how to login and run commands on our infrastructure. |
===== Part I: Login ===== | ===== Part I: Login ===== | ||
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* a file transfer tool to copy files from/to the server: | * a file transfer tool to copy files from/to the server: | ||
- | * on Linux: put '' | + | * on Linux: put '' |
* on Mac OS X/OSX/macOS Sierra: use [[https:// | * on Mac OS X/OSX/macOS Sierra: use [[https:// | ||
* one Windows: use [[https:// | * one Windows: use [[https:// | ||
* a plain text editor to edit input files if you are uncomfortable with using '' | * a plain text editor to edit input files if you are uncomfortable with using '' | ||
- | Use the instructions giving in the lecture/ | + | Use the instructions giving in the lecture/ |
<note important> | <note important> | ||
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< | < | ||
- | $ cp2k.popt --help | + | $ cp2k.sopt --help |
</ | </ | ||
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< | < | ||
- | cp2k.popt [-c|--check] [-e|--echo] [-h|--help] [--html-manual] | + | cp2k.sopt [-c|--check] [-e|--echo] [-h|--help] [--html-manual] |
[-i] < | [-i] < | ||
| | ||
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| | ||
- | The easiest way is cp2k.popt < | + | The easiest way is cp2k.sopt < |
The following options can be used: | The following options can be used: | ||
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</ | </ | ||
- | Another program we need is [[http:// | + | Another program we need for visualization |
Load the respective module (since there is only one version available, the shorthand '' | Load the respective module (since there is only one version available, the shorthand '' | ||
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+ | ===== Part III: Advanced account configuration ===== | ||
+ | |||
+ | ==== Make module loading persistent ==== | ||
+ | |||
+ | Upon login, the shell ('' | ||
+ | |||
+ | < | ||
+ | $ echo ' | ||
+ | </ | ||
+ | |||
+ | after that you can add and remove modules to be loaded at startup using '' | ||
+ | |||
+ | To add '' | ||
+ | |||
+ | < | ||
+ | $ module initadd vmd | ||
+ | $ module initadd cp2k/ | ||
+ | </ | ||
+ | |||
+ | to remove '' | ||
+ | |||
+ | < | ||
+ | $ module initrm vmd | ||
+ | </ | ||
+ | |||
+ | Alternatively you can of course simply edit '' |
exercises/2016_uzh_cmest/login.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1